International Conference on Advances in Physics 2015
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International Conference on Advances in Physics 2015
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WE are grateful to the following organizations for their sponsorship and
contributions to The International Conference on Advances in Physics 2015
Islami Bank Bangladesh Ltd.
Pundro University of Science and Technology
Jalalabad Ragib-Rabeya Medical College and
Hospital
University Grants Commission of Bangladesh
PRAN Foods Ltd.
Bangladesh Energy Regulatory Commission
Bangladesh Atomic Energy Commission
https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=1&cad=rja&uact=8&sqi=2&ved=0CB0QFjAA&url=http%3A%2F%2Fwww.islamibankbd.com%2F&ei=IFUpVbeeBZeJuATqrIGIBA&usg=AFQjCNEMmGOh6FHYfIySzrPUpw-HaadrGA&bvm=bv.90491159,d.c2E
International Conference on Advances in Physics 2015
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Contents
1. International Advisory Committee
4
2. Organizing Committee
4
3. Sub Committees
5
4. Programme Overview
10
5. Programme with Abstracts
12
6. List of Registered Participants
81
International Conference on Advances in Physics 2015
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ICAP 2015 Committees
International Advisory Committee
A A Ziauddin Ahmad BRAC University and President, BPS, Bangladesh
Arun K Basak University of Rajshahi, Bangladesh
John R Cooper University of Cambridge, UK
Saiful Haq University of Pittsburgh, USA
A K M Azharul Islam IIUC, Chittagong, Bangladesh
Vladimir Kravtsov ASICTP, Trieste, Italy
Syed M Qaim Forschungszentrum Jülich, Germany
Amitava Raychaudhuri University of Calcutta, India
Isao Tanaka University of Yamanashi, Japan
M Alfaz Uddin University of Rajshahi, Bangladesh
Organizing Committee
Chairman Prof. M Aminul Islam Department of Physics, RU
Co-Chairman Prof. Somnath Bhattacharjee Department of Physics, RU
Members Prof. Emeritus Arun Kumar Basak Department of Physics, RU
Prof. M Ali Asgar Member, BPS
Prof. M Abu Hashan Bhuiyan Vice President, BPS
Dr. Dilip Kumar Saha Secretary, BPS
Prof. M Shafiqul Islam Department of Physics, RU
Prof. M Obaidul Hakim Department of Physics, RU
Prof. M Enamul Haque Department of Physics, RU
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Prof. M Golam Mortuza Department of Physics, RU
Prof. M Mozibur Rahman Department of Physics, RU
Prof. M Khalilur Rahman Khan Department of Physics, RU
Prof. Irine Banu Lucy Department of Physics, RU
Prof. M Rafiqul Ahsan Department of Physics, RU
Prof. F Nazrul Islam Department of Physics, RU
Prof. Saleh Hasan Naqib Department of Physics, RU
Prof. A K Fazlul Haque Department of Physics, RU
Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Dr. M Rezaur Rahim Department of Physics, RU
Prof. Dr. M Habibur Rahman Dean, Science Faculty
Conference Secretariat
Secretary Prof. Saleh Hasan Naqib Department of Physics, RU
Joint Secretary Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Members Dr. Raihana Shams Islam Department of Physics, RU
Dr. M Abdur Razzaque Sarker Department of Physics, RU
Dr. M Monirul Haque Department of Physics, RU
Dr. M Atiqur Rahman Patoary Department of Physics, RU
Mr. K M Mahmudul Hasan Department of Physics, RU
Ms. Monira Jannatul Kobra Department of Physics, RU
Registration, Reception & Information Committee
Convener Prof. M Shafiqul Islam Department of Physics, RU
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Members Prof. M Enamul Haque Department of Physics, RU
Prof. M Mozibur Rahman Department of Physics, RU
Prof. Irine Banu Lucy Department of Physics, RU
Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Dr. Laila Arjumand Banu Department of Physics, RU
Mrs. Dilruba Akter Banu Department of Physics, RU
Mr. M Masum Billah Department of Physics, RU
Scientific Committee
Convener Prof. Emeritus Arun Kumar Basak Department of Physics, RU
Members Prof. M Aminul Islam Department of Physics, RU
Prof. M Obaidul Hakim Department of Physics, RU
Prof. Somnath Bhattacharjee Department of Physics, RU
Prof. M Golam Mortuza Department of Physics, RU
Prof. M Alfaz Uddin Department of Physics, RU
Prof. M Khalilur Rahman Khan Department of Physics, RU
Prof. F Nazrul Islam Department of Physics, RU
Prof. Saleh Hasan Naqib Department of Physics, RU
Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Finance Committee
Convener Prof. F Nazrul Islam Department of Physics, RU
Members Prof. M Khalilur Rahman Khan Department of Physics, RU
Prof. M Rafiqul Ahsan Department of Physics, RU
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Prof. A K Fazlul Haque Department of Physics, RU
Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Dr. M Monirul Haque Department of Physics, RU
Dr. M Samiul Islam Sarker Department of Physics, RU
Mr. K M Mahmudul Hasan Department of Physics, RU
Mr. M Leaket Ali Department of Physics, RU
Souvenir and Conference Materials Committee
Convener Prof. M Rafiqul Ahsan Department of Physics, RU
Members Prof. F Nazrul Islam Department of Physics, RU
Dr. M Rezaur Rahim Department of Physics, RU
Dr. Raihana Shams Islam Department of Physics, RU
Dr. Fahmida Parveen Department of Physics, RU
Prof. M Alfaz Uddin Department of Physics, RU
Dr. M Abdur Razzaque Sarker Department of Physics, RU
Mr. K M Mahmudul Hasan Department of Physics, RU
Mr. M Ismail Hossain Department of Physics, RU
Publicity, Media and Web Committee
Convener Prof. M Mozibur Rahman Department of Physics, RU
Members Prof. A K Fazlul Haque Department of Physics, RU
Prof. Abdullah Shams Bin Tariq Department of Physics, RU
Dr. Fahmida Parveen Department of Physics, RU
Dr. M Monirul Haque Department of Physics, RU
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Mr. M Masum Billah Department of Physics, RU
Mr. M Leaket Ali Department of Physics, RU
Administrator Public Relation, RU
Food and Accommodation Committee
Convener Prof. F Nazrul Islam Department of Physics, RU
Members Prof. M Rafiqul Ahsan Department of Physics, RU
Prof. Irine Banu Lucy Department of Physics, RU
Prof. A K Fazlul Haque Department of Physics, RU
Dr. M Atiqur Rahman Patoary Department of Physics, RU
Dr. M Monirul Haque Department of Physics, RU
Dr. M Samiul Islam Sarker Department of Physics, RU
Mr. M Alamgir Hossain Department of Physics, RU
Transport Committee
Convener Prof. A K Fazlul Haque Department of Physics, RU
Members Prof. M Mozibur Rahman Department of Physics, RU
Prof. M Khalilur Rahman Khan Department of Physics, RU
Prof. M Rafiqul Ahsan Department of Physics, RU
Mr. A F M Abdul Wahed Department of Physics, RU
Mr. M Ismail Hossain Department of Physics, RU
Mr. M Leaket Ali Department of Physics, RU
Mr. M Alamgir Hossain Department of Physics, RU
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Session Management Committee
Convener Dr. M Rezaur Rahim Department of Physics, RU
Members Dr. Fahmida Parveen Department of Physics, RU
Dr. M Abdur Razzaque Sarker Department of Physics, RU
Dr. M Atiqur Rahman Patoary Department of Physics, RU
Dr. M Monirul Haque Department of Physics, RU
Mr. M Masum Billah Department of Physics, RU
Mr. K M Mahmudul Hasan Department of Physics, RU
Mr. M Ismail Hossain Department of Physics, RU
Mr. M Leaket Ali Department of Physics, RU
Cultural Program and Volunteer Committee
Convener Prof. M Aminul Islam Department of Physics, RU
Members Prof. Irine Banu Lucy Department of Physics, RU
Mrs. Dilruba Akter Banu Department of Physics, RU
Mr. K M Mahmudul Hasan Department of Physics, RU
Mr. M Alamgir Hossain Department of Physics, RU
Mr. Soumitra Banerjee, TSCC, RU
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Programme Overview
18 April 2015
0930-1030 Inauguration Senate Building
1030-1045 Tea Break
Plenary Session I Ahmad Husain Gallery
1045-1145 Plenary-1
1145-1245 Plenary-2
1300-1400 Lunch Break
Parallel Session 1
1A-Ahmad Husain Gallery
1B-211 1C-311
1415-1430 EHM-Keynote-1 MS-Keynote-1 CMP-Keynote-2
1430-1445
1445-1500 EHM-Oral-1 MS-Oral-1 CMP-Oral-1
1500-1515 EHM-Oral-2 MS-Oral-2 CMP-Oral-2
1515-1530 EHM-Oral-3 MS-Oral-3 CMP-Oral-3
1530-1545 EHM-Oral-4 MS-Oral-4 CMP-Oral-4
1545-1600 EHM-Oral-5 MS-Oral-5 CMP-Oral-5
1600-1615 EHM-Oral-6 MS-Oral-6 CMP-Oral-6
1615-1630 EHM-Oral-7 MS-Oral-7 CMP-Oral-15
1630-1645 EHM-Oral-8 MS-Oral-8 MS-Oral-16
1645-1700 Tea Break
Parallel Session 2
2A-311 2B-Ahmad Husain Gallery
2C-211
1700-1715 EHM-Oral-9 CMP-Keynote-1 APNLO-Keynote-1
1715-1730 EHM-Oral-10
1730-1745 EHM-Oral-11 CMP-Oral-7 APNLO-Keynote-2
1745-1800 EHM-Oral-12 CMP-Oral-8
1800-1815 EHM-Oral-13 CMP-Oral-9 APNLO-Oral-1
1815-1830 EHM-Oral-14 CMP-Oral-10 APNLO-Oral-2
1830-1845 Prayer Break
Parallel Session 3
3A-311 3B-Ahmad Husain Gallery
3C-211
1845-1900 EHM-Oral-14 CMP-Oral-11 NPP-Keynote
1900-1915 EHM-Oral-15 CMP-Oral-12
1915-1930 EHM-Oral-16 CMP-Oral-13 NPP-Oral-1
1930-1945 EHM-Oral-17 CMP-Oral-14 NPP-Oral-2
1945-2000 Transport to Dinner
2000-2130 Conference Dinner
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19 April 2015
Plenary Session 2
Ahmad Husain Gallery
0900-1000 Plenary-3
1000-1100 Plenary-4
1100-1115 Tea Break
Parallel Session 4
4A-211 4B-Ahmad Husain Gallery
4C-311
1115-1130 EHM-Oral-18 MS-Keynote-2 NPP-Oral-3
1130-1145 EHM-Oral-19 NPP-Oral-4
1145-1200 EHM-Oral-20 MS-Oral-10 NPP-Oral-5
1200-1215 MS-Oral-11 NPP-Oral-6
1215-1230 MS-Oral-12 NPP-Oral-7
1230-1245 MS-Oral-13
1245-1300 MS-Oral-14 MS-Oral-15
1300-1400 Lunch Break
1400-1530 Poster Session
1530-1545 Tea Break and Transfer to Public Lecture
Public Lecture Session
1545-1645 Public Lecture
1645-1700 Prayer Break
1700-1720 Inauguration of Parallel Computing Cluster
1720-1820 Public Lecture
1820-1830 Closing Remarks and Farewell
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Detailed Programme with Abstracts
Plenary Session 1
18 April, Saturday 1045-1245, Ahmad Husain Gallery Chair: Professor AKM Azharul Islam, Co-Chair: Professor Bhupendra Nath Dev
Plenary-1
Non-monotonic nucleus-nucleus potential and incompressibility
of infinite cold nuclear matter
A.K. Basak1*
, M.A. Uddin1, M.S. Hossain
2 and A.S.B. Tariq
1
1Department of Physics, University of Rajshahi, Rajshahi 6205, Bangladesh
2Department of Physics, Shahjalal University of Science & Technology, Sylhet 3114, Bangladesh
A novel method for the determination of the yet not well-known quantity of nuclear
incompressibility, K is presented. Non-monotonic (NM) nucleus-nucleus potentials from
the energy-density functional (EDF) theory including the Pauli principle have been
considered for K in the range 188-266 MeV. The experimental cross sections of 16
O+16
O
elastic scattering over the 31-350 MeV incident energies have been analyzed in the
optical model using the NM potentials. Sensitivity of K on the elastic scattering data is studied and its value for infinite cold nuclear matter deduced to be 222 ± 5 MeV.
Plenary-2
The New Physics of Dust: New Research Horizons
A A Mamun
Department of Physics, Jahangirnagar University,Savar, Dhaka, Bangladesh
The new physics of dust, which arises due to dust-plasma interaction in space and laboratory
devices, is presented. How this new physics of dust has introduced different interesting research
horizons (different new field of physics involving many open issues and challenging research
problems) for young genius brains are explained. The basic features of dust-plasma interaction,
particularly basic characteristics of dust in plasmas, and typical parameters involving dust-
plasma interactions for different space and laboratory conditions are presented. The complexity
and the diversity of the field of new physics of dust are briefly discussed. As one of the many
new fields of research works on new physics of dust, theoretical and experimental discoveries of
linear and nonlinear features of waves and associated structures formed due to dust-plasma
interactions are pinpointed. It has been finally shown that because of its infinitely large domain,
versatile applications and unsolvable complexities, the physics of charged dust in a plasma
International Conference on Advances in Physics 2015
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medium has become a challenging research topic not only for near future, but also for a very
long period of time to come.
Parallel Session 1A
18 April, Saturday 1415-1645, Ahmad Husain Gallery
Chair: Professor M Aminul Islam, Co-Chair: Professor F Nazrul Islam
EHM-Keynote
Overview of NAA and its Application for Health and Environment
S.M. Hossain*, K. Naher, Sopan Das and U. Tamim
Institute of Nuclear Science & Technology, Atomic Energy Research Establishment,
G.P.O. Box No.-3787, Savar, Dhaka-1000, Bangladesh
E-mail: [email protected]
Neutron activation analysis (NAA) is a reference nuclear analytical method for quantitative
determination of elements based on the measurement of characteristic gamma radiation from
radionuclides formed by neutron irradiation of the material. The most suitable source of neutrons
is usually a nuclear research reactor. Combined with computerized high resolution digital
gamma-ray spectrometry, NAA offers mostly nondestructive, simultaneous multi-element
analysis needed in many areas for the advancement of Physics research. Due to its inherent
sensitivity and accuracy, NAA can extensively be applied to environmental sciences, nutritional
studies, health related studies, geological and geochemical sciences, material sciences,
archaeological studies, forensic studies and nuclear data measurements. In addition to these
applications, NAA has a role in the quality assurance of chemical analysis. In Bangladesh, the
NAA Group is one of the vital users of the country‟s only research reactor - the 3 MW TRIGA
Mark-II. The scope of this paper is to describe the NAA technology in brief, its application in
particular for health and environment and collaboration status with national and international
communities.
EHM-Oral-1
Assessment of contamination and nutritional deficiency in Ready-Made Baby Food
Available in Local Market using NAA and HPGe gamma spectrometry
Khadiza Begam1*
, Afia Begum1, K. Naher
2, U. Tamim
2, Sopan Das
2,Md. Maruf B
2,
Md. Alamgir Kabir3 and S. M. Hossain
2
1Dept. of Physics, BUET, Dhaka-1300
2Institute of Nuclear Science & Technology, Atomic Energy Research Establishment,
DEPZ-1349, Savar, Dhaka 3Dept. of Physics, Jahangirnagar University
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The present studies have been carried out for determination of elemental status and radiological
contamination in ready-made baby food available in the local market using the nuclear reactor
based Neutron Activation Analysis (NAA) technique and a Digital HPGe Gamma Spectrometry
system. For NAA, about 75 mg of each 15 samples were prepared in two folds followed by the
standard protocol of NAA for short and long irradiation. Two folds of each three Certified
Reference Materials (CRMs) namely, IAEA-Soil-7, IAEA-SL-1 and NIST-1633b Coal Fly Ash
were also prepared in the same way. In short irradiation scheme, individual irradiation of each 15
samples and 3 CRMs was performed in the pneumatic transfer system Rabbit Irradiation Channel
of the TRIGA reactor for 1 min with the thermal power of 250 kW for determination of Al, Ca,
Mg, Mn, Ti, V, etc. In case of long irradiation, all the samples and CRMs were irradiated
simultaneously in the same irradiation channel for 7 minute with the thermal power of 2.4 MW
for determination of Na, K, Fe, Cr, Th, U, Zn, etc. The gamma ray spectrometry was performed
for all the irradiated samples and CRMs using the Digital High Purity Gamma ray (HPGe)
spectrometry system with different decay intervals depending on the half-lives of the product
nuclides of interested elements. For quantification, the relative standardization approach was
applied. The natural gamma spectrometry was applied for determination of 238
U, 232
Th, their
daughters and 40
K in all the 15 samples. For natural gamma spectrometry, about 70g of each
sample was packed and shield in a plastic pot and kept for about 4 weeks before counting to
retain secular equilibrium between the daughters and parents of 238
U and 232
Th decay series.
Counting of each sample was performed for 20,000 sec on the surface of the HPGe detector. For
quantification, a calibration curve was constructed using Al2O3 based 226
Ra standard (800 Bq).
The measured nutritional values and radioactivity concentrations in the samples are presented in
the paper. The measured nutritional values were also compared with values quoted in the
product. The produced data will be useful for the baby to assess nutritional deficiency and toxic
effect.
EHM-Oral-2
A Study of Environmental Pollution Due Activities of Edible Oil Industries in the
Port City of Bangladesh using NAA
Maruf Bellah1*
, M.M.H.Miah1, K. Nahar
2, U. Tamim
2, Sopan Das
2 , Khadiza Begam
2
and S. M. Hossain2
1Department of Physics, University of Chittagong, Chittagong-4331
2Institiute of Nuclear Science & Technology, Atomic Energy Research Establishment,
DEPZ-1349, Savar Dhaka.
Elemental analysis has been carried out in ten edible oil waste samples collected from three
industrial areas in the Port City of Chittagong, Bangladesh. The TRIGA reactor based neutron
activation technique was employed to determine some metals and metalloids in the collected
samples. Two irradiation schemes were used: (i) For short irradiation, each sample and Certified
Reference Materials (CRMs) such as IAEA-Soil-7, IAEA-SL-1, NIST 1633b Coal Fly Ash and
Bovine-Liver-1577b were irradiated using pneumatic transfer (rabbit) system of the TRIGA
Mark-II Research Reactor with the thermal neutron flux of 1.33×1013
n/cm2/sec for 60 second.
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(ii) For long irradiation, all the samples and CRMs along with three Al-0.1%Au foils were
irradiated simultaneously with the same neutron flux of 1.33×1013
n/cm2/sec for 7 minutes. The
CRMs were used to quantify the wide number of elements as well as to control the quality of the
analysis. The gamma spectrometry of irradiated samples was performed using the HPGe detector
(CANBERRA, 25% relative efficiency, resolution of 1.85 keV at 1332 keV of Co-60) coupled
with a digital gamma spectrometer (ORTEC DSPec JrTM
) and Maestro-32 data acquisition
software. Several elements like Na, Sm, Br, Np, La, As, K, Sc, Fe, Mn, Co, Cs, Hf, Cr, Ti, Al,
Mg and V were determined and compared with the world reference values. Some elements were
found to be in elevated level. These waste or effluent may contaminate the surrounding
environment, especially the soil and the nearby. The investigation of the present work can be
treated as the baseline data and will help to assess further evaluation for contamination in future.
EHM-Oral-3
Analysis of Fish, Poultry, Feeds and Sediments using NAA for Assessment of
Elemental Status with Emphasis on Arsenic and Chromium
K.M. Shahnur Alam¹*, S.M. Hossain², K. Naher², M.A. Islam², Sopan Das2, U. Tamim²
and M.M. Akramuzzaman¹
¹.Department of Physics, Jahangirnagar University, Savar, Dhaka-1342
².Institute of Nuclear Science & Technology, Atomic Energy Research Establishment,
DEPZ-3787, Savar, Dhaka-1000
E-mail: [email protected]
The present research focuses on analysis of fresh and sea water fishes, poultry their feeds and
sediments using the 3 MW TRIGA Mark-II Research Reactor based Neutron Activation Analysis
(NAA) technique with the aim to determine elemental status with special emphasis on arsenic
and chromium. Sixty four samples in different categories (fresh water fishes from three ponds,
and corresponding sediments, sea water fishes from Bay of Bengal, chicken from five farms,
their feeds) were analyzed through a series of NAA experiments to determine the translocations
of toxic elements from feed to fish and birds and their excretion through litters. The analytical
results revealed that some locally produced poultry and fish feeds are highly contaminated with
chromium and migrated to the corresponding bodies of chicken and fish. Arsenic contamination
was not observed in any of those samples. On the other hand, elevated level of arsenic was found
in sea fishes but not chromium. However, as far as our knowledge goes there is a clear tendency
of accumulation of some organic arsenic species in sea products like, sea weed, muscle, fish etc.
which are not harmful for us. The inorganic arsenic-III that is available in our shallow aquifer is
harmful. As the present NAA results provided the total arsenic in sea fish, it is not possible to
draw the conclusion about the arsenic toxicity of our sea fish. Another observation of the present
study is that there is clear tendency of chromium accumulation in bone compared to flesh. But
the opposite tendency was observed in case of arsenic.
EHM-Oral-4
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A study of quality of different kinds of bricks available in Bangladesh using neutron
radiography technique
A.K.M. Azad Rahman1, Sudipta Saha
3, M. Nurul Islam
2 and M.H. Ahsan
1
1Department of Physics, Shahjalal University of Science and Technology, Sylhet
2Institute of Nuclear Science and Technology,
Atomic Energy Research Establishment, Savar, Dhaka
Manufacturing building materials has become very good option of business in the developing
countries like Bangladesh. Quality control of these materials and environmental friendly
structure assurance should be confirmed on approaching such industrial establishments. Among
the non-destructive testing (NDT) techniques Neutron Radiography (NR) is the most common
procedure to study internal structure, homogeneity, any inclusion or voids or cracks etc. The
water penetration behaviour and structure can be identified more effectively through this NDT
technique. Present study has been carried out to differentiate two types of brick manufacturing
processes named Hoffman Kiln method and conventional local method. Thermal neutron
radiography facility of 3 MW TRIGA Mark-II research reactor of Atomic Energy Research
Establishment (AERE), Savar, Dhaka has been utilized in this research work. Densitometric
measurements of the neutron radiographic images of the samples have been adopted in this work.
The samples were collected from different places in Bangladesh depending on their
manufacturing process including fuel to burn, burning process etc. At first the appropriate
irradiation time was determined for the samples and then neutron radiographs were taken after
drowning the samples up to 1 inch into water for 5 min, 10 min, 15 min and 20 min
consecutively. The radiographic images under all these conditions for individual samples have
been investigated and it can be concluded with the statement that bricks made of Hoffman Kiln
method are more homogeneous inside, absorbs lower amount of water and most importantly
products of this environmentally friendly system can construct better, safer and long lasting
building structure for livelihood.
EHM-Oral-5
Investigation of Soil Contamination in Dhamrai Industrial Zone by Utilizing
Neutron Activation Analysis Technique
*R. Tarannum1, S.M. Hossain
2, K. Naher
2, M.A. Islam
2, U. Tamim
2, B.N. Sattar
1,
Z.H. Mahmood3
1Department of Nuclear Engineering, University of Dhaka, Dhaka 1000, Bangladesh
2Institute of Nuclear Science & Technology, Atomic Energy Research Establishment,
DEPZ-1349, Savar, Dhaka 3Department of Electrical and Electronic Engineering, University of Dhaka,
Dhaka 1000, Bangladesh
E-mail: [email protected]
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The BTRR (BAEC TRIGA Research Reactor) based Neutron Activation Analysis (NAA)
technique was applied for the investigation of soil contamination due to industrial activities. For
soil analysis, an industrial zone was selected in Dhamrai nearby the Bata factory. A total of
eighteen soil samples were collected from six locations with 3 depths. The short and long
irradiation protocols of BTRR were followed for the determination of wide range of elements in
soils. The relative standardization approach was applied for quantification of elements. Three
Certified Reference Materials (CRMs)/Standard Reference Materials (SRMs) namely NIST
1633b Coal Fly Ash, IAEA Soil-7 & SL-1 were used for quantification as well as quality control
of analysis. The analytical results of soils were compared with the world references. Some of the
elements are in normal level and some elements like Ba, Ce, Co, Cr, K, Na, Sc, Th, U and V are
exceeded the world references. Higher median concentrations compared to the world values of
Th, Ba, Ce, Co, Na, K, U, V and Sc are found 17.59 ppm, 1169 ppm, 92.50 ppm, 17.36 ppm,
13165 ppm, 20383 ppm, 3.653 ppm, 130 ppm and 12.95 ppm respectively. Among all toxic
elements chromium contamination is in a critical situation. Three sample locations out of six
have been found to be highly chromium contaminated. The average concentration of chromium
is determined 416.5 ppm and its median value is found 133.4 ppm which is higher than the world
median 70 ppm of chromium concentration in soil. This is probably because any ternary industry
or leather factory uses chromium reach chemicals and the waste or effluent generated from such
a factory may contain high concentration of chromium. These waste or effluent may contaminant
the surrounding environment, especially the soil. This soil analysis data gathered in the present
work can be treated as the baseline data and will help to assess further contamination in future.
EHM-Oral-6
Measurement of Radioactivity Levels in Vegetables and Their Impact on the
Population of Peninsular Malaysia.
Khandoker Asaduzzaman1*
, Noor Liyana Mohd Nasir1, Mayeen Uddin Khandaker
1, Yusoff
Mohd Amin1, M. S. Farook
2
1Department of Physics, University of Malaya, Kuala Lumpur, 50603, Malaysia
2Department of Restorative Dentistry, University of Malaya, Kuala Lumpur, 50603, Malaysia
E-mail: [email protected].
We study radiation exposure resulting from consumption of vegetables that form an essential
part of the Malaysian diet. Malaysia, a rapid growing industrial country, is susceptible to
pollution from the presence of large scale industrial and human activities. The levels of
radioactivity appearing in the human diet are of particular concern, requiring assessment of
possible radiological risks to human health. Therefore, a comprehensive study was carried out to
determine the radioactivity levels (226
Ra, 232
Th and 40
K) and associated hazard indicators in
different varieties of vegetable collected from different regions in Peninsular Malaysia. The
estimated daily intake of each radionuclide from different varieties of vegetables ranged from 2.2
to 54.5 mBq kg–1
(total: 84.5 mBq kg–1
) for 226
Ra; 1.7 to 99.2 mBq kg–1
(total: 116.0 mBq kg–1
)
for 232
Th and 4 to 3448.8 mBq kg–1
(total: 8645.6 mBq kg–1
) for 40
K. The committed doses for 226
Ra, 232
Th and 40
K due to consumption of vegetables were assessed to be 8.5, 42 and 27.3 µSv
y1
respectively, representing a total contribution to the overall radiological dose of an individual
International Conference on Advances in Physics 2015
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of 77.8 µSv y1
. This dose imposes no significant threat to human health, the estimated
probability of increase of cancer risk from daily intake of the vegetables diet representing only a
minor fraction of ICRP values.
EHM-Oral-7
A study of the natural radionuclides in soil samples from different locations of
Barendra region of Rajshahi and mining region of Dinajpur, Bangladesh
*M. Matiur Rahman1, Aleya Begum
2, Jannatul Ferdous
2 and M. A. Islam
1
1Department of physics, University of Rajshahi, Rajshahi, Bangladesh
2Health Physics Division, Atomic Energy Centre (AEC), Dhaka, Bangladesh
Email: [email protected]
The level of natural radioactivity in the soil samples collected from the Barendra region,
Rajshahi and the Mining region, Dinajpur was measured and the radiological hazard parameters
in both the regions were estimated. The activity concentrations of naturally occurring radioactive
materials in the 238
U and 232
Th decay chains and in 40
K were determined by means of a gamma-
ray spectrometry system using an HPGe detector in a low background configuration at Atomic
Energy Centre, Dhaka. The activity concentrations of 238
U, 232
Th and 40
K found in the present
study were compared with the reported values of the northern region and other districts of
Bangladesh, and those of other countries of the world. Radiological hazard parameters of the two
regions were estimated and compared with the world averages. The natural radioactivity in the
Barendra and Mining region poses no threat to general public there. Artificial radionuclide 137
Cs
was not found in the soil samples studied.
Parallel Session 1B
18 April, Saturday 1415-1645, Room 311 Chair: Professor M Shafiqul Islam, Co-Chair: Professor Khalilur Rahman Khan
MS-Keynote-1
Structure of amorphous materials: NMR as a key tool
M. G. Mortuza
Dept. of Physics, Rajshahi University, Rajshahi 6205, Bangladesh.
As the resonance position of Nuclear Magnetic Resonance (NMR) active nuclei depends upon
their local order, several amorphous alkaliphosphosilicate (glass) materials are chosen to show
International Conference on Advances in Physics 2015
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the effectiveness of magic angle spinning NMR and broad line NMR. Structures of various Qm
(0 ≤ m ≤ 4) species are determined from the 29
Si resonance and that of phosphate monomer,
dimer and polymers are identified from the 31
P NMR resonance.
MS-Oral-1
A Study of Surface Morphology, Optical and Electrical Properties of Titanium
Oxide Thin Films Deposited by SPT
S. S. Roy1, A. H Bhuiyan
2, J. Podder
2, D.K Saha
3, M. A. Gafur
4
1Department of Physics, Dwarika Paul Mohila Degree College, Sreemongal-3210 2Department of Physics, Bangladesh University of Engineering and Technology,
3Bangladesh Atomic Energy Center,
4BCSIR, Dhaka, Bangladesh
E-mail:[email protected]
Nanostructure Titanium oxide (TiO2) thin films have been deposited on glass substrates at
different temperature in the range 300-500 °C by spray pyrolysis technique (SPT) from aqueous
solution using Titanium Chloride TiCl4 as a precursor while all other deposition parameters such
as spray rate, carrier gas pressure and distance between spray nozzle to substrate were kept
constant. The deposited TiO2 thin films were characterised by using X-ray diffraction (XRD),
scanning electron microscopy (SEM), optical transmission spectra by UV-visible spectroscopy
and electrical resistivity by Van-der Pauwe methd. Our experimental investigation indicated that
during film deposition has a significant influence on the optical transmittance and optical band
gap of the films. The films were single phase, homogeneous, and uniform. The band gap energy,
electrical resistivity, surface structure and figure of merit of the TiO2 thin films were found to
depend significantly on the growth temperature. The peak of X-ray diffraction patterns at 26.14°
is corresponding to (101) reflections of the anatase phase of TiO2. The crystallite size increases
with increasing substrate temperature (100–200 nm).The transmittance of the films was observed
to increase from 75 % to 92 % at 200 nm thickness on the substrate temperature increases. The
optical band gap of prepared film is found to be 3.10 eV. The absorption coefficient, optical band
gap, extinction coefficient, refractive index have been calculated. The optical band gap of the
thin films is varied from 3.0 to 3.70 eV. The electrical resistivity varies from 45 ohm‟s to 65.15
ohm.cm at different substrate temperature. Scanning electron microscopy studies revealed the
formation of sporadic growth of rod-shaped elongated particles. Both the structural and surface
properties of TiO2 thin films were improved with the increase in the deposition cycles as a result
of which the optical absorption edge of TiO2 shift towards longer wavelength. The variation of
substrate temperature affected the film morphology and optoelectronic properties. The
experimental results discussed the suitability of this material for using as transparent and
conducting window materials in solar cells.
Keywords: Thin film, TiO2, Band gap.
International Conference on Advances in Physics 2015
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MS-Oral-2
Electrical and dielectric properties of Chromium substituted Nickel Ferrite
N. Jahan1*
, A.K.M. Zakaria2, F. -U. -Z. Chowdhury
1, Sanjida Aktar
2, S.M. Yunus
2, D.K. Saha
3,
M.N.I. Khan3
1Department of Physics, Chittagong University of Engineering and Technology, Chittagong,
Bangladesh 2Institute of Nuclear Science & Technology, Bangladesh Atomic Energy Commission, Dhaka,
Bangladesh 3Atomic Energy Centre, Bangladesh Atomic Energy Commission, Dhaka, Bangladesh
E-mail: [email protected]
Chromium substitute Nickel ferrites NiCrxFe2-xO4 (0.0x1.0) were prepared through the solid
state reaction using conventional ceramic method and sintered at 1350C in air. Single phase
cubic spinel structure has been confirmed from the X-ray diffraction patterns for all the samples.
The temperature dependence of DC resistivity has been performed by two probe method. The
DC resistivity was found to decrease with temperature indicating the semiconducting nature of
the samples. The activation energies were calculated and found to show irregular behavior with
increasing Cr concentration in the system. The dielectric constants () as a function of frequency
have been measured in the range 1KHz-120MHz for all the compositions at room temperature.
The maximum dispersion occurs in the low frequency region which can be attributed to the space
charge polarization. While in the high frequency region it is almost same for all samples which
may arises from the electronic and ionic polarization in the system. Dielectric constant decreases
with increasing Cr content; this may be due to the fact that chromium ions have more conduction
carriers than ferrous ions in octahedral site. The dielectric loss tangent (tan) as a function of
frequency have been measured and found to be independent on frequency. As the frequency
increases, the values of dielectric losses show some irregular behavior, which may be due to the
resonance effect.
Keywords: Ferrites, Activation energy, Dielectric constant, Loss factor.
MS-Oral-3
Investigation of the structural and magnetic properties
of A0.5B0.5Fe2O4 (A = Ni, Mg; B = Zn) spinel ferrites.
M. D.Hossain1,3
*,M. A. Hakim2, S. J. Ahmed
3, M.N.I. Khan
4, A. T. M. K. Jamil
3
1Dept. of Physics, Sher-e- Bangla Nagar Adersha Mahila College, Dhaka
2Dept. of Glass and Ceramic Engineering,
Bangladesh University of Engineering and Technology, Dhaka. 3Dept. of Physics, Dhaka University of Engineering and Technology, Gazipur
4 Materials Science Division , Atomic Energy Center, Dhaka
* E-mail: [email protected]
International Conference on Advances in Physics 2015
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In this study the theoretical and experimental investigation of structural and magnetic properties
of Ni0.5Zn0.5Fe2O4 and Mg0.5Zn0.5Fe2O4 spinel ferrites have been carried out. All the samples have
been synthesized by conventional solid state reaction method. The complex permeability
spectrum as a function of frequency of these ferrites has been studied. Magnetization, Curie
temperature, lattice parameter and complex permeability have been measured at room
temperature using VSM, XRD and impedance analyzer. Theoretical magnetic moments have
been calculated according to Neel‟s two sub-lattice model. The calculated magnetic moments in
Bohr magneton of the samples have been found to be in concomitant with the experimental
determined magnetic moments of the prepared samples. Relative magnetic loss factor and the
resonance frequency of the prepared sample have been determined from the experimental results
as a function of frequency. Theoretical lattice parameters have been observed to be quite
compatible with the experimental values. An expansion of lattice and reasonably lower Curie
temperature compared with base ferrite AFe2O4 due to non-magnetic Zn2+
substitution having
larger ionic radii have been observed resulting in decrease of the strength of JAB exchange
interaction. The application ranges of frequency of these two important ferrite materials have
been proposed from the experimental results.
MS-Oral-4
Structural Investigation of Na2O-SiO2-B2O3 Glasses and Glass-Ceramics
a M Emrul Kayesh*,
bM Rafiqul Ahsan,
bM. Golam Mortuza and
aM Humaun Kabir Rubel
aDepartment of Materials Science and Engineering, University of Rajshahi.
bDepartment of Physics, University of Rajshahi, Rajshahi-6205, Bangladesh
Email: [email protected]
The Na2O-SiO2-B2O3 glasses have been characterized by both FT-IR and XRD. Infrared spectra
of Na2O-SiO2-B2O3 glasses and are examined in the region 4000 cm-1
and 400 cm-1
. The ratio of
Na2O/SiO2 is kept always constant. All the glasses are characterized by two board bands one in
the low frequency region 1600-400 cm-1
and the other in the high frequency region 4000-
1600cm-1
. All the spectra are base line corrected and deconvulated to five (5) Gaussians using
computer program. From IR spectra different significant absorption, stretching and vibrational
bands are observed as peaks in high and low frequency regions of the spectra. The assignment of
the chemical bonds is carried out by comparing its position with related glasses and crystalline
phases. The low frequency bands are assigned to Si-O-Si, O-Si-O, BO3 and BO4 and the high
frequency bands are assigned to H-O-H bond. The relative areas of the different bonds are also
plotted as a function of B2O3. This pattern indicates that with the increases of B2O3, the structural
group BO3 increases where as BO4 decreases.
The base and heat treated samples are X-ray diffracted to examine either they are amorphous or
crystalline. X-ray diffraction pattern of these base samples within the diffraction limit shows a
broad haloe which indicates that it may form glass without being crystallization. On the other
International Conference on Advances in Physics 2015
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hand the X-ray diffraction pattern of the heat treated samples shows some phases which indicate
that these samples may show glass ceramic properties upon hear treatment.
MS-Oral-5
Electrical conductivity and initial permeability of multiferroic
xBa0.95Sr0.05TiO3-(1─x)BiFe0.9Gd0.1O3 solid solution
Mohammad J. Miah1,3*
, M. N. I. Khan2 and A. K. M. Akther Hossain
1
1Department of Physics, Bangladesh University of Engineering & Technology (BUET), Dhaka
2Bangladesh Atomic Energy Commission, Dhaka
3Department of Physics, Comilla University, Comilla
E-mail: [email protected]
Polycrystalline xBa0.95Sr0.05TiO3-(1─x)BiFe0.9Gd0.1O3 [xBST-(1─x) BFGO] (x=0, 0.1 and 0.2)
solid solution have been prepared by solid-state reaction method. The effects of BST content on
crystalline phase, electrical conductivity, and complex initial permeability are studied. Crystal
structure of the ceramics is determined by X-ray diffraction pattern. All the compositions exhibit
perovskite structure. Structure of BFGO is stabilized through the formation of solid solution with
BST. The value of tolerance factor „t‟ varies from 0.847 to 0.864. Electric properties of the
compound are analyzed using an impedance analyzer in a wide range of frequency from 20 Hz to
120 MHz at room temperature. The Nyquist plot (Cole-Cole graph) suggests only grains have the
contribution to the resistance in this material. The AC conductivity spectrum is found to obey the
Jonscher‟s power law. Electron hopping is responsible for the AC conductivity in this
compound. The observed values of frequency exponent „n‟ are in the range 0.61
International Conference on Advances in Physics 2015
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ion conductor used as potential electrolytes in solid-state batteries. Although there have a number
of studies on the powder form of this material, the nature of the bulk properties has not yet been
fully clarified. To clarify the anisotropic nature of the physical properties of the ionic conductors,
more experimental and theoretical investigations are highly desired. In this study, we firstly
synthesized the bulk single crystals of Li7La3Zr2O12 by using infrared heating floating zone
(IR-FZ) method. The grown crystals were characterized to investigate the effect of anisotropy on
transport properties that might enhance the efficiency in device applications. We showed the
beneficial usefulness of prepared ionic conductors in various applications including solid-state
Li-ion batteries.
MS-Oral-7
Effects of Inclusions on the Mechanical Properties of Structural Reinforced Bars
A. Hossain*, ASW. Kurny, F. Gulshan and U. K. Sultana
Department of Materials and Metallurgical Engineering
Bangladesh University of Engineering and Technology, Dhaka, Bangladesh
E-mail: [email protected]
Inclusions content of pencil ingots and continuously cast billets (both ladle refined and
unrefined) produced from induction melted liquid steel have been determined. It has been seen
that billets produced from unrefined or improperly refined melts contain higher amounts of slag,
inclusion and inhomogeneity in the microstructure while refining in ladle refining furnace of
induction melted assorted scrap gives fairly clean and refined liquid steel. Metallographic study
of the reinforcing bars produced from properly refined continuously cast billets show uniform
grain size, no heterogeneity in the microstructure, little or no slag and little inclusions and better
mechanical properties.
MS-Oral-8
Synthesis of Copper Nano-colloids by Ablation Technique
1S H Kabir, 1E Hoque, 1M K Biswas, 1S M Sharif, 1,2S K Das and 1Y Haque*
1Nonlinear Optics Research Laboratory, Department of Physics, Shahjalal University of Science
and Technology, Sylhet, Bangladesh
2Sylhet International University, Sylhet, Bangladesh
E-mail: [email protected]
Copper (Cu) nano-colloids in Double Distilled Water (DDW) have been prepared from Cu foil
by the ablation technique with a 10 ns pulsed Nd:YAG laser at the second harmonic frequency of
wavelength 514 nm. The ablation duration varied from 5 to 25 minutes with the laser operational
energy fixed at 45 mj/s.The UV-vis absorption spectra shows peaks within 600 to 700 nm due to
International Conference on Advances in Physics 2015
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the Surface Plasmon Resonance (SPR) oscillation in Cu nanoparticles. These absorption spectra
have also been compared with the Mie absorption spectra.
Keywords: Copper Nanoparticles, Ablation Technique, UV-vis spectroscopy, Mie Scattering.
Parallel Session 1C
18 April, Saturday 1415-1645, Room 211
Chair: Professor G M Bhuiyan, Co-Chair: Professor M Mozibur Rahman
CMP-Keynote-2
Doping and disorder dependent isotope exponent in hole doped cuprates
S. H. Naqib* and R. S. Islam
Department of Physics, University of Rajshahi, Rajshahi-6205, Bangladesh
E-mail: [email protected]
The variation of the oxygen isotope exponent (IE) with the number of doped holes, p, in the
CuO2 planes has been a source of considerable debate. The large IE over certain range of hole
concentrations always casts a shadow over any proposal where non-phononic mechanism is
invoked to describe pairing in cuprates. On the other hand, existing theoretical schemes, based
on electron-phonon interactions, cannot describe the anomalous features shown by the IE as a
function of hole concentration/disorder, either quantitatively or qualitatively. Based on an
experiment relating the possibility of Fermi-surface reconstruction to the thermoelectric transport
measurements (Nature Commun. 2:432 doi: 10.1038/ncomms1440 (2011)), we propose here a
simple scenario where isotope substitutions affect the charge/spin stripe state via the coupling to
the underlying lattice and thereby change the superconducting Tc. In this picture, significant part
of the IE, over an extended p-range, actually originates from the isotope induced stripe
modulation and is not directly related to the characteristic energy scale of the pairing phonons.
This proposal qualitatively explains all the disorder- and p-dependent features of the IE seen in
hole doped high-Tc cuprates. We also provide with an outline of some experiments that can
verify the degree of validity of the proposed scheme.
Key words: High-Tc cuprates; Isotope effect; Stripe correlations
CMP-Oral-1
Future of SMES technology and its implementation in Bangladesh: A case study
M.R. Islam
Department of Physics, University of Chittagong, Chittagong-4331, Bangladesh.
E-mail: [email protected]
International Conference on Advances in Physics 2015
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We have introduced the concept of SMES technology based on superconductivity for electrical
energy storage systems. In a case study, we have shown that within our limited source electrical
energy can be saved and stored. In our calculation, it can be shown that the daily load in
Chittagong University campus is about 1 hour and needs maximum energy 1.4 MWh (during
peak demand) and minimum energy 0.33 MWh (during low demand). Possible ways of getting
excess energy to manage it have been indicated. Finally, an assessment is given based on the
findings of research work carried out for the possible implementation of a SMES project in
Bangladesh.
Keywords: Electrical energy storage devices, Superconducting magnetic energy storage (SMES),
Daily load, Peak hours and Off-peak hours.
CMP-Oral-2
Evolution of in-plane resistivity with temperature and hole content in cuprate
superconductors
M. Afsana Azam1, J. R. Cole
2 and S. H. Naqib
1
1Department of Physics, University of Rajshahi, Rajshahi-6205, Bangladesh
2Cambridge Flow Solutions Ltd., Histon, Cambridge CB24 9AD, UK
The highly anisotropic nature of the in- and out-of-plane charge dynamics in high-Tc cuprates
cannot be accommodated by the conventional Boltzmann transport theory. The in-plane (a-axis)
resistivity, ρa(T, p), of pure and Ca doped Y(Ca)Ba2Cu3O7-x have been modeled in this study.
Here we have modified and extended the formalism developed by S. H. Naqib et al. where we
incorporated the role played by a quantum critical point at a critical hole concentration as well as
the doping dependent pseudogap energy scale in the quasi-particle energy spectrum to describe
the in-plane dc charge transport for double CuO2 layer Y123 compound over a wide range of
hole contents. The extracted PG energy scale, εg agrees quite well with previous studies and also
other extracted parameters shows systematic variation with hole content.
CMP5-Oral-3
A density functional theory study of ground state properties of the 211 MAX phases
V2AC (A=Al,Ga)
Mst. Rokeya Khatun1, F. Parvin
1, A.K.M.A. Islam
2
1Department of Physics, Rajshahi University, Rajshahi, Bangladesh
2Intrenational Islamic University Chittagong, 154/A College Road Chittagong 4203, Bangladesh
E-mail: [email protected]
International Conference on Advances in Physics 2015
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The different properties of V2AC (A = Al, Ga) have been calculated using the plane-wave
ultrasoft pseudopotential technique which is based on the first- principles Density Functional
Theory (DFT) with Generalized Gradient Approximation (GGA). This method has been applied
for the study of (i) structural properties, (ii) mechanical properties (iii) electronic band structures,
(iv) density of states (DOS), (vi) thermodynamic and (v) optical properties. We have also studied
how these properties vary with pressure.
The geometries of hexagonal V2AlC and V2GaC have been optimized as a function of pressure.
The elastic properties including the isotropic bulk modulus (B), compressibility (K), Young‟s
modulus (Y), shear modulus (G), Poisson‟s ratio () of the hexagonal V2AC binary compounds
have determined using the Voigt-Reuss-Hill (VRH) averaging scheme. The results show that the
shear modulus is the principal restraining factor for the stability of hexagonal V2AC. The band
structure and density of states show that these compounds are conductors, with contribution
predominantly from the V 3d states.
The temperature and pressure dependence of bulk modulus, Debye temperature, specific heats,
volume thermal expansion coefficient of the nanolaminates are calculated for the first time using
the quasi-harmonic Debye model.
The optical properties of V2AC, e.g. the dielectric function ε(ω), the reflectivity R(ω), the optical
absorption coefficient I(ω), the optical conductivity ζ(ω), the energy loss function L(ω) and the
refractive index n(ω) have also been evaluated and discussed.
CMP-Oral-4
Noncovalent Interaction of Organic Molecules, Drugs, Amino Acids, Dyes and
Peptide with Graphene Nanosheet (GNS): A Theoretical Study
Mohammad A. Halim1*, Md Kamal Hossain
1,2, Mohammad Mazharol Hoque
1,
Mohammad Tuhin Ali1, Sharmin Hoque
1, Mohammed Muzibur Rahman
1,
Mohammad Abdul Kader Khan1,4
, and Mohammed G Sarwar1,5
1Bangladesh Institute of Computational Chemistry and Biochemistry,
38 Green Road West, Dhaka-1205, Bangladesh 2Department of Physics, Jahangirnagar University, Savar, Dhaka-1342, Bangladesh
3Chemistry Department & Center of Excellence for Advanced Materials Research (CEAMR),
King Abdulaziz University, Faculty of Science, P.O. Box 80203, Jeddah 21589, Saudi Arabia 4Department of Chemistry, Jubail University College, Sudair, Fanateer,
Al Jubail 35811, Saudi Arabia 5Department of Chemistry, The Scripps Research Institute, La Jolla, California 92037, USA
E-mail: [email protected]
Graphene, one-atom-thick two-dimensional crystal, has been emerged as a super material
ensuring its promising and diverse applications ranging from optoelectronic to nanomedicine.
Numerous studies have been focused to divulge the unique electronic, optical and mechanical
properties of graphene; however, very few studies are directed to disclose the fundamental
International Conference on Advances in Physics 2015
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understanding of graphene‟s chemical, Van der Waals, and electrostatic interactions with other
molecules.1 These interactions are very important to advance graphene‟s application for sensor,
adsorbent and drug delivery vehicle.2,3 To explore the noncovalent interactions between
molecules with graphene nanosheets (GNS), density functional theory and molecular docking
have been employed. Organic molecules (toluene, heptane, decane, and substituted
iodoperfluoroarenes), drugs (levofloxacin, donepezil, tacrine, and rivastigmine), amino acids
(glycine, glutamine, arginine, and tryptophan), organic dyes (thiazol, ethidium and SYBR) and
amyloid beta peptide (Abeta) have been interacted with armchair (10, 10) and zigzag (10, 0)
graphene of tube length 25 Å. All molecules except AB peptide were optimized by density
functional theory employing Becke‟s (B) exchange functional combining Lee, Yang, and Parr‟s
(LYP) correlation functional.4 Gaussian standard 6-31G(d) basis set was applied for non-
halogenated molecules whereas Cramer and Trular‟s MIDIX basis set was employed for
halogenated compounds. Subsequent vibrational frequency calculation has been performed to
confirm that the stationary points correspond to minima on the Potential Energy Surface.
Cartesian coordinate of Abeta peptide collected from protein data bank (PDB 2M4J). Energy
minimization of Abeta peptide was calculated by Merck Molecular Force Field (MMFF).
Molecular docking calculation was carried out by AutoDock Vina developed by The Scripps
Research Institute.5 To calculate the binding (adsorption) affinity of these molecules with
graphene sheets, the size of the grid box was set to 25 Å x 25 Å x 25 Å (x, y and z). Armchair
and zigzag graphene attained same binding energies for all molecules. The binding (adsorption)
energies of organic molecules such as toluene, heptane, decane, and substituted
iodoperfluoroarenes are -6.1, -4.9, -6.1, and -6.6 kcal/mol, respectively. Drugs have greater
binding affinity compared to the small molecules ranging from -7.7 to -13.5 kcal/mol. Binding
affinities of amino acids are varies with size and properties. Small binding energy is detected for
glycine and cysteine -1.9 and -2.4 kcal/mol whereas it is noticeably increased to -3.9, -4.3, and -
7.3 kcal/mol for glutamine, arginine, and tryptophan, respectively. Interestingly, organic dyes
such as ethidium, thiazol and SYBR have significant adsorption (-12.0 to -14.6 kcal/mol) on
graphene surface indicates that it can be used as a promising adsorbent for removing toxic dyes.
Moreover, very strong binding affinities (-18.3 and -33.2 kcal/mol) are noticed for single and
fibril Abeta peptides.
References
1. Shih C. J. et al Nature Materials 2013, 12, 866–869. DOI:10.1038/nmat3760
2. Lazar, P. et al Journal of American Chemical Society, 2013, 135, 6372−6377. DOI:10.1021/ja403162r
3. Sun, X. et al Nano Research 2008, 1, 203-212. DOI: 10.1007/s12274-008-8021-8
4. (a) Becke, A. D. Physical Review A, 1998, 38, 3098-100. DOI: 10.1103/PhysRevA.38.3098; (b) Lee, C. et al Physical Review B, 1998, 37, 785-89. DOI: 10.1103/PhysRevB.37.785
5. Trott, O. et al Journal of Computational Chemistry, 2010, 31, 455–461. DOI:10.1002/jcc.21334
CMP-Oral-5
International Conference on Advances in Physics 2015
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Static and Dynamic Properties of Liquid Ni, Pd and Pt: An Orbital Free Molecular
Dynamic Study
Mohammad Riazuddin Molla1,2
, A. Z. Ziauddin Ahmed2 and G. M. Bhuiyan
2
1Department of Mathematics, University of Dhaka, Dhaka-1000
2Department of Theoretical Physics, University of Dhaka, Dhaka-1000, Bangladesh
E-mail: [email protected]
The static and dynamic properties of liquid metals, namely Ni, Pd and Pt at thermodynamic
state T=1773K , 1853K and 2053K respectively, have been studied using the orbital free ab-
initio molecular dynamics (OF-AIMD) simulation technique. Like other ab-initio methods the
OF-AIMD uses the density functional theory along with a pseudopotential prescribed by
Bhuiyan et. al. The exchange and correlation energy is described by the local density
approximation. Static properties such as static structure factor, S(q), pair distribution function,
g(r), coordination number, isothermal compressibility,cT, are studied. The single particle and
collective dynamics such as diffusion coefficient, dynamic structure factor, velocity of sound,
shear viscosity etc. are also studied. Theoretical results are found to be good in agreement with
available experimental data and also with other theoretical results.
CMP-Oral-14
Dynamic Behavior of EPDM Studied by Microscopic Light Scattering
M. Hasnat Kabir1, Yosuke Watanabe
2, Hidemitsu Furukawa
2
1Department of Information and Communication Engineering
University of Rajshahi, Rajshahi 6205, Bangladesh 2Soft and Wet Matter Engineering Laboratory,
Department of Mechanical Systems Engineering
Graduate School of Science and Engineering, Yamagata University
4-3-16 Jonan, Yonezawa City, Yamagata, Japan, 992-8510
E-mail: [email protected]
The internal homogeneity of cross-linked EPDM sample was studied by microscopic light
scattering. The samples were swollen with toluene for several days to insure the equilibrium
state. The scanning microscopic light scattering (SMILS), which is a laboratory dynamic light
scattering equipment (DLS), was applied to characterize the dynamic properties of the EPDM
samples. The cooperative diffusion coefficient Dcoop was determined. The correlation length of
internal three dimensional network structure was calculated which actually represents the mesh
size of polymer network. It is observed that the variations of Dcoop with cross-linked
concentration nearly obeyed the dynamic scaling law as expected. The mesh sizes obtained from
SMILS measurements were compared with those calculated from the swelling measurements. It
is found the good agreement between both data. The internal homogeneity of the samples
corresponds to the variation of cross-linked concentration is also determined and discussed here.
International Conference on Advances in Physics 2015
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MS-Oral-16
Use of Grooving Over Ahmed Car Body for Drag Reduction
Abul Kalam Azad1 Mohammad Arif Hossain
2 A. K. M. Sadrul Islam
3
1 Rayermohal College, Khulna, Bangladesh
2 Department of Mathematics, Khulna University of Engineering & Technology, Khulna,
Bangladesh 3 Department of Mechanical and Chemical Engineering, Islamic University of Technology,
Dhaka, Bangladesh
E-mail: [email protected]
When a body moves within a fluid it experiences drag force. If the coefficient of drag is reduced
by 0.1 then fuel consumption is reduced by 10%. Ahmed car body, employed by Ahmed and
Ramm, is a typical shape to study the vehicle shape. It has two varieties, with two slant angles.
Of them 250 slant angle shape is employed. In this study grooving, a passive strategy in which no
additional energy will be supplied, is used as a drag reduction tool. Grooving generates
additional vortices which in conjunction with the normal flow vortices is change the overall
strength and location of the wake vortices, as a result the drag changes. The simulation has been
done and studied through CFD modeling, in which it is required to choose any turbulence model.
Earlier studies suggested that out of different turbulence models k- is better suited for this
purpose. Another study suggests the choice of the size of the roughness height required for the
turbulence model. In this paper the effect of grooving at the end of the top surface, at the end of the
slant surface and combination of at the beginning and at the end of the slant surface has been
presented. It has been found that with the increase in the radius of the groove at the end of the
top surface the drag increases and supersedes the normal drag. But when grooves are placed
either at the end of the slant surface or at the beginning and end of the slant the drag has been
reduced. The results show that about 4.3006% drag coefficient has been reduced.
Keywords: Ahmed Car Body, k-ε turbulence model, Vehicle Aerodynamics, Passive control, and
Drag coefficient,
Parallel Session 2A
18 April, Saturday 1700-1830, Room 311 Chair: Dr Sadiq R Malik, Co-Chair: Professor M Rafiqul Ahsan
EHM-Oral-8
High Dose Rate (HDR) Brachytherapy Case Studies: Using Procedures and Applicators
like Cylinder, Tandem-Ovoid and Interstitial Implants
Sadiq R. Malik, Mushfika Ahmed, Parveen Akhter Banu, Ashish K Bairagi, Md. Shohel Reza,
Nilufa Yeasmin, Naheed Rukhsana, Lutfun Nahar
Radiation Oncology Division, Delta Medical College & Hospital, Dhaka, Bangladesh
International Conference on Advances in Physics 2015
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e-mail:[email protected];[email protected]
Purpose: The word brachytherapy is derived from the ancient Greek words βρατσς, which means
„short‟ or „close,‟ and θεραπεια, which has several meanings including „medical treatment‟ or
„therapy.‟ Brachytherapy is the type of radiotherapy in which radioactive sources are placed
inside or near the tissue to be irradiated. With this form of treatment, a high dose can be locally
delivered to the tumor, with a rapid dose fall-off in the surrounding healthy tissues due to the
inverse square law. Among the therapeutic modalities available for the treatment of cervical
cancer, irradiation is regarded to be the standard treatment for all tumor stages, which includes
external beam radiation therapy (EBRT) and HDR brachytherapy or a combination of these two
modalities. In general, all women with locally advanced cervical cancer – International
Federation of Gynecology and Obstetrics (FIGO) stage IB2-IVA – should be considered for
brachytherapy as part of their definitive treatment management. Dramatic advances have been
made in brachytherapy for cervical cancer. Radiation treatment planning has evolved from two-
dimensional to three-dimensional, incorporating magnetic resonance imaging and/or computed
tomography into the treatment paradigm. This allows for better delineation and coverage of the
tumor, as well as improved avoidance of surrounding organs. Brachytherapy applications are not
restricted to one method only; any method could be combined with another, as well as other
radiotherapy techniques. In cervical cancer, intracavitary brachytherapy (ICBT) has been used
for practical reasons. Lately though, combination of ICBT and interstitial brachytherapy (ISBT)
techniques are being evaluated in deference to feasibility, practicality and reproducibility.
Advanced brachytherapy can achieve very high rates of local control with a reduction in
morbidity, compared with historic approaches. This study provides an overview of state-of-the-
art gynecologic brachytherapy, with a focus on recent advances and their implications for women
with cervical cancer.
Materials & Methods: HDR has been established in Delta Hospital in December 2010. Till then
2526 fractions have been delivered. Among them 1223 patients were treated with Cylinder, 1270
patients were treated with Tandem-Ovoid & 13 patients were treated with Interstitial Implant
Technique and 20 patients were treated with Tandem-Cylinder. Patients upto stage IIA are given
Vaginal brachytherapy after surgery. Beyond stage IIIB patients are selected for Interstitial
Implant & rest are treated with Tandem & Ovoid. Among them three patients were selected on
different staging. Three different types of applicators (Cylinder, Tandem & Ovoid and Interstitial
Implant) has been inserted according to the patient‟s anatomy and staging. Prescribed doses
were different for the implant technique.
Result: Progress from 2D- to 3D-based imaging and treatment planning for cervical cancer
brachytherapy has improved local control, reduced toxicity, and improved overall survival for
women.
Conclusion: The result of our study indicates that a precise delivery of treatment with appropriate
applicator and the choice of treatment planning technique is more important for a better outcome.
The outcome such treatments have proved better in palliative and curative cases.
Key words: HDR, cervical cancer, Intracavitary Treatment & Interstitial Implant
International Conference on Advances in Physics 2015
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EHM-Oral-9
Evolutionary Transition of Treatment Planning from 2D RT to 3D CRT to IMRT in
Cancer Therapy
Motiur Rahman, Sadiq R. Malik and Md. Shohel Reza
Radiation Oncology Division, Delta Medical College & Hospital, Dhaka, Bangladesh
E-mail: [email protected], [email protected]
Purpose: Basic treatment capabilities with minimal imaging support have been labeled as 2D RT
(2D radiotherapy). Application of advanced imaging and dose calculation algorithm initiated
precise treatment planning enabling more sophisticated treatment delivery procedures e.g. 3D
Conformal Radiotherapy (3D CRT). Further development in these software and hardware in
treatment planning and treatment delivery capabilities made it possible for Intensity Modulated
Radiotherapy (IMRT). There are significant differences between conventional 2D RT treatment
planning and delivery and that of 3DCRT. Three-dimensional (3D) image-based treatment
planning with new delivery technologies have generated the multiple implementations of
External Beam Radiation Therapy (EBRT)techniques, in which the high-dose region is
conformed much more closely to the target volume than previously possible, hence reducing the
volume of normal tissues exposed to a high dose. Organs at Risk (OARs) are, therefore, spared.
To establish 3D CRT in an institution a number of steps are needed to establish the 3D CRT in
an institution. These may include the definition of the scope of the program, developing staffing
needs, training of all personnel engaged in the procedure, acceptance testing and commissioning
of the new equipment and establishment and implementations of a comprehensive QA program.
Intensity-modulated Radiation Therapy (IMRT) is a more advanced form of 3DCRT. The fact
that there is some dose heterogeneity for both the target and normal critical structures in the
IMRT planning procedure as compared to the traditional irradiation techniques. IMRT
techniques are significantly more complex and advanced than 3DCRT and this requires the close
collaboration and expertise of an appropriately-trained multidisciplinary team, including
radiation oncologists, medical physicists, and radiation technologists. However, this new process
of planning and treatment delivery shows significant potential for improving the therapeutic ratio
of cancer patient. IAEA-TECDOC-1588 is divided into two parts: 3D CRT and IMRT. It
provides guidelines and highlights the milestones that are to be achieved for the transition from
2D RT through 3D CRT to IMRT. The report is written as an extension to IAEA-TECDOC-1296
and should be consulted in conjunction with that report. Training is required to utilize the added
developments in Software and Hardware in the treatment planning.
Materials & Method: A 2D Planning utilizes the technologies like Simulator, Digitizer and
Treatment Planning System (TPS) and radiotherapy machine like a Linear Accelerator. Similarly
3DCRT utilizes CT scan image for reconstruction of 3D (Three Dimensional) volume, Planning
System and that for IMRT use is made of a CT scan, Planning System and MLC motions to
shape the tumor contour. MRI and PET CT Image is very useful for a 3D CRT & IMRT
(Intensity Modulation Radiotherapy) to define precisely the GTV, CTV and PTV and, of course,
the OARs (Organs at Risk) like Spinal Cord, E, Lung, Brain Tumors, Kidney, etc.
Results: Comparison of these three treatment modalities IMRT is better than 3DCRT and
3DCRT is better than 2D treatments in delivering the prescribed dose to the disease i.e. Tumor.
International Conference on Advances in Physics 2015
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IMRT helps to conform the tumor precisely to save more OARs and dose homogeneity is better
than 3DCRT. 3DCRT treatments allows to save the OARs: Using various beam modifier
devices like as wedge, Block, Bolus, MLC, tissue compensator, etc. which is not possible for a
2D CRT treatment.
Conclusion: Treatment modalities and methods depend on the Patient‟s Staging of the cancer,
Treatment Equipment and patient‟s financial ability in Bangladesh. Delta Hospital alone treated
2348 Radiotherapy Patients where 440 3DCRT patients, 51 IMRT Patients and the rest of the
patients are with 2D CRT. Prognosis for the advanced procedure, like IMRT treatments, proved
better for the patients where it is selected as a modality of treatment.
EHM-Oral-10
Verification of dose calculation for cervical carcinoma cases treated with HDR
brachytherapy according to AAPM HEBD Report 229 and IAEA protocol.
N. Sultana1, H. A. Azhari
1, M. F. Hossain
2, G. A. Zakaria
1,3
1Dept. of Medical Physics & Biomedical Engineering,
Gono Bishwabidyalay, Savar, Dhaka, Bangladesh 2Radiation Oncology Department, United Hospital Limited, Dhaka, Bangladesh
3Dept. of Medical Physics, Gummersbach Hospital, Academic Teaching Hospital,
University of Cologne, Gummersbach, Germany
E-mail: [email protected]
Now a days, TPS use AAPM TG-43U1 protocol for dose calculation. In this study, the HEBD
Report 229 and IAEA formalism are used to verify the TPS results manually using excel method
and has been done in the Radiation Oncology Department of United Hospital Limited (UHL)
Dhaka, using a Brachyvision 11.0.42 TPS. Five retrospective cervical carcinoma patients were
treated by EBRT (External Beam Radiotherapy) followed by BT (Brachytherapy) with
GammaMed plus brachytherapy unit using Ir-192 HDR source in Fletcher Style Applicator. In
TPS, a total dose of 7Gy is prescribed at point A (Lt, Rt) and rectum and bladder are considered
as organ at risk (OARs). ICRU 38 is used for dose calculation at point Lt A, Rt A, Lt B, Rt B and
OARs according to the Manchester system. The HEBD Report 229 and IAEA formalism
parameters (geometry function, radial dose function, anisotropy function) are determined
manually. According to HEBD Report 229 the doses at point Lt A, Rt A, Lt B, Rt B, bladder and
rectum are 6.98, 6.86, 1.79, 1.74, 2.77, 3.44Gy and IAEA dose values are 6.82, 6.70, 1.76, 1.68,
2.90, 3.66Gy respectively. The deviation between TPS calculations and manual calculations
according to HEBD Report 229 is -0.19%, 0.02%, -0.23%, 1.21%, -3.12%, -3.89% respectively.
Similarly the deviation between TPS calculations and manual calculations according to IAEA
formalism is -2.57%, -4.30%, -1.96%, -1.83%, 1.49%, 2.61% correspondingly, which are within
acceptable limit (±5%). Therefore manual calculations can be used for commissioning,
especially for a newly installed TPS (Treatment Planning System) as well as for periodical QC
checks. It is highly recommended that HEBD Report 229 is an updated protocol of AAPM TG-
43U1. In future in TPS software, this protocol can be introduced for accurate dose calculation.
International Conference on Advances in Physics 2015
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EHM-Oral-11
Quality Control of Intensity-Modulated Radiation Therapy (IMRT)
M. Rayhan Uddin1, Kushal Chanda
1, Hasin Anupama Azhari
1, Golam Abu Zakaria
1,
M. Anwarul Islam2
1Department of Medical Physics & Biomedical Engineering,
Gono University, Savar, Dhaka-1344, Bangladesh 2Department of Oncology, Square Hospitals Ltd, Dhaka, Bangladesh
E-mail: [email protected]
Intensity modulated radiotherapy (IMRT) is a major development in the delivery of radiation
therapy that has the potential to improve patient outcome by reducing morbidity or increasing
local tumour control. The aims of study of this paper are to ensure the MLC positional accuracy
and leaf speed, the relative dosimetric verification (Gamma index) and absolute dosimetric
verification. For MLC leaf positional accuracy & leaf speed, the Picket Fence and Synchronized
Segmented Stripes test pattern (DMLC QA test patterns and procedures) provided by Varian
Medical System have been used. For each test individual test pattern for 120 MLC have been
loaded by stand alone MLC workstation and played. For relative dosimetric verification all the
test procedures like different dose in same depth, same dose in different depth, chair test and
inhomogeneous test have been performed. All the plans have been verified by measurement and
evaluated by Gamma index. For absolute dose verification all the plans have been delivered and
measured by a 0.3 cc SemiFlex chamber along with a PTW solid water phantom. Relative and
absolute dose verifications have been followed by Quality control for Intensity-Modulated
Radiation Therapy, as in the Recommendation No.15 from SGSMP.In picket Fence and
Synchronized Segmented Stripes test, match-lines appear at -10.0, -5.0, 0.0, 5.0, 10.0 and -12.0, -
8.0, -4.0, 0.0, 4.0, 8.0, 12.0 cm respectively from the center of the field. The Gamma Index for
the different dose in same depth, same dose in different depth, chair test and inhomogeneous test
were 99.48% & -0.52%, 99.35% & -0.65%, 99.04% & -1.96% and 98.34% & -1.66% at the
pixel range in -1.00 to 1.00 & 1.00 to 2.00 respectively. Calculated and measured absolute dose
for three cases were 2.050&1.970 (% deviation 4.06), 1.728 & 1.730 (%deviation -0.011) and
1.270 & 1.250 (% deviation 1.6). IMRT is a new technology that introduces new potential for
error into the delivery of radiation therapy and the quality checks can improve the care of cancer
patients without subjecting them to unnecessary risks in our country.
EHM-Oral-12
The Gynaecological Dose Calculations at Risk Organs
using AAPM HEBD Report-229 and IAEA Protocols
1Md. Abdullah-Al-Mashud,
2Nahida Sultana,
2H.A. Azhari,
3M. Tariquzzaman
and
4G.A. Zakaria
International Conference on Advances in Physics 2015
31
1Dept. of Applied Physics, Electronics & Communication Engineering, Islamic University,
Kushtia, Bangladesh 2Dept. of Medical Physics & Biomedical Engineering, Gono Bishwabidyalay, Savar, Dhaka,
Bangladesh 3Dept. of Information and Communication Engineering, Islamic University, Kushtia, Bangladesh
4Dept. of Medical Radiation Physics, Gummersbach Hospital, Academic Teaching Hospital,
University of Cologne, Gummersbach, Germany
E-mail: [email protected]
The purpose of the study is to calculate the dose at the risk organs i.e. bladder and rectum due to
the cervical cancer treatment and verify the TPS with calculated result. Analyzing in details the
clinical application of high dose rate brachytherapy to ensure the minimal dose at bladder and
rectum and maximum dose to cervix.
To calculate the dosimetric parameters the HEBD Report-229 (updated protocol of TG-43) and
the IAEA protocols has been used for cervical carcinoma treatment planning system. The remote
after loaded source 192
Ir (GammaMed Plus) and the Fletcher Style Applicator set has been used
and five rectospective cervical carcinoma patient has been considered. The dose at risk organs
(Bladder and Rectum) has been calculated with TPS (Brachyvision 11.0.42) according to the
Manchester system using HEBD report-229 and IAEA formalism. The Microsoft office Excel
has been used to calculate distance, radial dose constant, anisotropy function and dose. Newton‟s
interpolation method has been used for calculating anisotropy function. Matlab software has also
been used for calculation and graph representations.
According to HEBD Report-229 the maximum doses for bladder and rectum are 6.774 and 4.082
Gy respectively and minimum doses are 2.769 and 3.050 Gy correspondingly. Similarly,
according to IAEA formalism maximum dose values are 6.748 and 4.246 Gy respectively and
minimum doses are 2.899 and 2.627 Gy correspondingly. The deviations between TPS
calculations and manual calculations according to HEBD Report-229 are -2.912% and -3.784%
respectively. Similarly the deviations between TPS calculations and manual calculations
according to IAEA formalism are 1.600% and 2.727% correspondingly, which are within
acceptable limit (±5%).
EHM-Oral-13
Observation of different F-response parameters from normal median nerves
M S A Khan, Z B Mahbub, M H R Khan, M M Billah, M K Sarkar
Department of Arts & Sciences, Ahsanullah University of Science & Technology
E-mail: [email protected]
The F-responses are motor responses results from the backfiring of anterior horn cells at spinal
cord. Its measurement can help in assessing the conduction properties of the entire length of the
nerves. Signal conduction properties of the median nerves expected to change with different
International Conference on Advances in Physics 2015
32
positions of the head by creating temporary compression/extension over the nerve roots which
are similar to neurological disorders. Purpose of this study is to observe variations of the F-
response parameters measured from median nerves for different positions of the head. F-
responses were recorded from four normal subjects by applying 30 supramaximal stimulations
using a constant current, high voltage stimulator at median nerve at the wrist with normal,
extended and compressed positions of the head. Resulting F-responses were recorded with
sampling rate 5kHz by placing the electrode over the abductor pollicis brevis (APB) muscle
using a dedicated amplifier and recorder system, Brain products. Then minimum and maximum
F-latencies, chronodispersion, amplitude and distribution of F-latencies (DFL) with 2ms bin size
were calculated. DFL were fitted to Gaussian function to find corresponding peak and width. To
observe any trend with head positions in the above parameters Page‟s L trend test were
implemented. For compressed-normal-extended positions of the heads, clear decreasing trends in
DFLpeak, DFLwidth and Fmin, adequate trends in Famp and Fmean were observed due to
temporary compressions and extensions of the nerve roots. F-response measurements and
position dependent parameters will be correlated with other electromyogram results, cervical
spondylotic patients in future.
Parallel Session 2B
18 April, Saturday 1700-1830, Ahmad Husain Gallery Chair: Professor M Obaidul Hakim, Co-Chair: Professor M Enamul Haq
CMP1-Keynote-1
Casimir Effects and Bose Condensation of an imperfect Bose gas:
d-dimensional approach
G. M. Bhuiyan
Department of Theoretical Physics, University of Dhaka
E-mail: [email protected]
Some properties of an ideal gas of massive bosons placed in an external (meanfield) repulsive
potential and, confined between two infinite parallel slabs in a d-dimensional configuration space
are investigated systematically. Here, a single particle density of bosonic states technique is
employed to study critical temperature, Casimir effects and critical exponents, starting from the
evaluation of the grand canonical free energy in d-dimension. It is found that, the Casimir force
and the critical temperature depend on the space dimensionality. But the Casimir force decays as
an inverse power law of the distance between two slabs in the condensate and, decays
exponentially in the non-condensed state situated very close to the point of phase transition. This
study also predicts the dimensional dependence of the critical exponents of the form of 1/(d-2)
for the imperfect Bose gas. This leads to 1 for d=3.
International Conference on Advances in Physics 2015
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CMP-Oral-6
Noncovalent Interaction of Organic Molecules, Drugs, Amino Acids, Dyes and
Peptide with Graphene Nanosheet (GNS): A Theoretical Study
Mohammad A. Halim1*, Md Kamal Hossain1,2
, Mohammad Mazharol Hoque1,
Mohammad Tuhin Ali1, Sharmin Hoque
1, Mohammed Muzibur Rahman
3,
Mohammad Abdul Kader Khan1,4
, and Mohammed G Sarwar1,5
1Bangladesh Institute of Computational Chemistry and Biochemistry, 38 Green Road West,
Dhaka-1205, Bangladesh 2Department of Physics, Jahangirnagar University, Savar, Dhaka-1342, Bangladesh
3Chemistry Department & Center of Excellence for Advanced Materials Research (CEAMR),
King Abdulaziz University, Faculty of Science, P.O. Box 80203, Jeddah 21589, Saudi Arabia 4Department of Chemistry, Jubail University College, Sudair, Fanateer, Al Jubail 35811, Saudi
Arabia 5Department of Chemistry, The Scripps Research Institute, La Jolla, California 92037, USA
E-mail: [email protected]
Graphene, one-atom-thick two-dimensional crystal, has been emerged as a super material
ensuring its promising and diverse applications ranging from optoelectronic to nanomedicine.
Numerous studies have been focused to divulge the unique electronic, optical and mechanical
properties of graphene; however, very few studies are directed to disclose the fundamental
understanding of graphene‟s chemical, Van der Waals, and electrostatic interactions with other
molecules.1 These interactions are very important to advance graphene‟s application for sensor,
adsorbent and drug delivery vehicle.2,3 To explore the noncovalent interactions between
molecules with graphene nanosheets (GNS), density functional theory and molecular docking
have been employed. Organic molecules (toluene, heptane, decane, and substituted
iodoperfluoroarenes), drugs (levofloxacin, donepezil, tacrine, and rivastigmine), amino acids
(glycine, glutamine, arginine, and tryptophan), organic dyes (thiazol, ethidium and SYBR) and
amyloid beta peptide (Abeta) have been interacted with armchair (10, 10) and zigzag (10, 0)
graphene of tube length 25 Å. All molecules except AB peptide were optimized by density
functional theory employing Becke‟s (B) exchange functional combining Lee, Yang, and Parr‟s
(LYP) correlation functional.4 Gaussian standard 6-31G(d) basis set was applied for
nonhalogenated molecules whereas Cramer and Trular‟s MIDIX basis set was employed for
halogenated compounds. Subsequent vibrational frequency calculation has been performed to
confirm that the stationary points correspond to minima on the Potential Energy Surface.
Cartesian coordinate of Abeta peptide collected from protein data bank (PDB 2M4J). Energy
minimization of Abeta peptide was calculated by Merck Molecular Force Field (MMFF).
Molecular