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Activities of the A+M Data Center at NIFS

Daiji KatoAtomic and Molecular Data Research Center

NIFS

2005/10/10

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Reorganization at NIFS in 2004

National Institute for Fusion Science

Coordination Research Center

Atomic and Molecular Data Research Center

Academic Research Coordination Laboratory

Industrial-Academic Research Coordination Laboratory

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Members of Atomic and Molecular Data Research Center

• Takako Kato (Prof., Director)• Richard More (Prof., retired in July 2005)• Izumi Murakami (Assoc. Prof.)• Hiroyuki Sakaue (Research Assoc.)• Daiji Kato (Research Assoc.)• Masatoshi Kato (Assistant)• Mi-Young Song (Research Fellow)

• A+M PWI database developed at NIFS

• Data compilation, evaluation and production at NIFS

• Research Collaboration at NIFS

• NIFS-DATA series publication in 2004

• 4th ICAMDATA in Toki, Japan

• Foreign Visitors in 2004

• Some schedule on DB server

OUTLINE

DB Name Contents Period

Records （ Sept, 2005）

Numbers in parentheses (Nov, 1999)

AMDIS

EXC

Electron impact excitation of atoms

1961-2005

75,306 (8,739)

IONElectron impact ionization of atoms 2,669 (1,344)

DIOElectron impact dissociation of simple molecules

202 ( 16)

REC

Electron recombination of atoms 25,997 ( 720)

CHARTCharge exchange of ion-atom collision

1957-2003 4,686 (2,734)

AMDIS MOL (AMOL)

Electron collision with molecules

1956-2004

1,486 ( 0)

CHART MOL

(CMOL)

Heavy particle collision with molecules 1,689 ( 0)

SPUTY Sputtering yield of solid1931-2003 1,243 ( 722)

BACKSReflection coefficient of solid surface

1976-1998 396 ( 282)

Numerical and Graphical Database (http://dbshino.nifs.ac.jp)

DB Name Contents PeriodRecords （Oct,

2005）

FUSIONBibliography on Fusion Research extracted from INSPEC

1975-2005 1,274,370

PLASMABibliography on Plasma Science extracted from INSPEC

1970-1986 80,032

AMBibliography on Atomic and Molecular Physics extracted from INSPEC

1970-2005 922,940

INSPEC New!

Whole bibliography of INSPEC2002-2005 1,451,763

ORNLBibliography on Atomic Collisions collected at ORNL, USA

1959-2003 75,625

Bibliographic Database (http://dbshino.nifs.ac.jp)

ALADDIN (A Labelled Atomic Data Interface)Evaluated cross section and rate coefficient for excitation and ionization of atoms. The data format and retrieval system were originally created by IAEA, and the databases are developed at NIFS.http://dpc.nifs.ac.jp/aladdin/

AM database for dielectronic satellite and electron impact cross section developed by Japan-Korea collaborationhttp://dprose.nifs.ac.jp/DB/

Numerical database on sputtering yield, reflection coefficients and mean range developed by collaboration with Dr. Eckstein (MPI, Germany)http://dpc.nifs.ac.jp/DB/Eckstein/

Other database developed by international collaboration

Data compilation (2003-2004)• Research Collaboration at NIFS “Activity for ev

aluation and collection of plasma-molecule collision data” organized by Dr. M. Kimura (Kyushu Univ.)– 15 experts reviewed literature to select cross sectio

ns to be input into database for electron collision (Cn

Hm, H2, O2, CO, H2O) and heavy particle collision (charge transfer of CnHm, H2, D2, O2, N2, CO, CO2).

– Numerical data selected are being input into AMOL and CMOL.

– Bibliographic data of the literature will be published on NIFS-DATA.

Data Compilation (2003-2004)

• Dr. Y. Itikawa (ISAS, JAXA, professor emeritus)– Evaluated electron impact cross section of H2

O, “Cross section for electron collisions with water molecules”, Itikawa and Mason, J. Phys. Chem. Ref. Data 34 (2005).

– Numerical data are being input into AMOL.

0

10

20

30

40

50

60

70

80

CH CH2 CH3 CH4

Num

ber

of D

ata

dissociative attachment(recombination)

dissociative ionization

dissociation

ionization

excitation

momentum transfer

elastic scattering

total scattering

0

10

20

30

40

50

60

70

C2H C2H2 C2H3 C2H4 C2H5 C2H6

Num

ber of

Dat

adissociative attachment(recombination)dissociative ionization

dissociation

ionization

excitation

momentum transfer

elastic scattering

total scattering

0

20

40

60

80

100

C3H C3H2 C3H3 C3H4 C3H5 C3H6 C3H7 C3H8

Num

ber of

Dat

a

dissociative attachment(recombination)dissociative ionization

dissociation

ionization

excitation

momentum transfer

elastic scattering

total scattering

0

10

20

30

40

50

60

70

CO CO2 NO N2 O2 H2O

Num

ber

of D

ata

dissociative attachment(recombination)dissociative ionization

dissociation

ionization

excitation

momentum transfer

elastic scattering

total scattering

e+CH4 -> total ionization e+CH3 -> total ionization

e+CH2 -> total ionization e+CH -> total ionization

e+CH4 ->CH3++H+2e e+CH4 ->CH2

++H2+2e

e+CH4 ->CH++H+H2+2e e+CH4 ->C++2H2+2e

Data Compilation (2003-2004)

• Dr. M. Hayashi (Gaseous Electronics Inst., past away in the end of 2004)– His death is the great loss on our data compilation.– Bibliography of Electron and Photon Cross Sections w

ith Atoms and Molecules Published in the 20th Century (Ar, CO2, SF6, N2, Xe, Halogen Molecules, H2O, H2, Hydrogen Halide, NH3, PH3, CH4)

– Lists of the bibliographic data were published on NIFS-DATA series.

– Many unpublished data remained are being prepared for publication on NIFS-DATA.

Data Compilation (2003-2004)

• Research Collaboration at NIFS “Ion Source Development for the Research of High Z Impurity Ions” organized by S. Ohtani (UEC)– Bibliographic data for secondary particle (elec

tron, ion, neutral) yield by multiply charged ion impact on solid surfaces with emphasis on potential emission effect.

Data Evaluation (2003-2004)

• Excitation, ionization and charge exchange cross section in collision of Li3+ with hydrogen atom– Interests in TESPEL based CXRS and liquid lithium pl

asma facing diverter concept.– Collaboration with Drs. J. Yan (IAPCM, China), H. Sat

o (Ochanomizu Univ.), M. Kimura (Kyushu Univ.), and R.K. Janev (Macedonia)

– Recommended cross sections are represented by analytical fitting formulae proposed that have correct asymptotic behavior.

– The work has been published on NIFS-DATA-86 (2004).

Data Evaluation (2003-2004)

• Cross sections on electron impact excitation and ionization of carbon atoms and ions Cq+ (q=1-5), and charge exchange between Cq+ (q=1-6) and hydrogen atoms.– Recommended cross sections are represente

d by simple analytical formulae.– The work has been published on NIFS-DATA-

91 (2005), and accepted for publication on At. Data Nucl. Data Tables (2005)

Data Production (2003-2004)

• Calculations of energy levels, radiative transition probabilities, and autoionization rates of boron- and carbon-like oxygen– Collaboration with Drs. U.I. Safronova (Univ. Nevada,

USA) and Yu. Ralchenko (NIST, USA)– For boron-like, Cowan code and Relativistic Many-Bo

dy Perturbation Theory (RMBPT) code. The work has been published on NIFS-DATA-85 (2004), and At. Data Nucl. Data Tables 90 (2005)

– For carbon-like, Cowan code. The work published on NIFS-DATA-93 (2005) and accepted for publication on Phys. Scr. (2005)

Data Production (2003-2004)

• Calculations of cross sections for dissociative attachment, associative detachment and vibrational excitation of H(D)F, H(D)Cl, H(D)Br and H(D)I by low-energy (a few eV) electron impact– Collaboration with Dr. J. Horacek (Charles Univ. Prag

ue, Czech Republic)– The cross sections for all vibrational and rotational sta

tes of target molecules.– Numerical data are being input into AMOL.– The work is being prepared for publication on NIFS-D

ATA series.

Data Production (2003-2004)

• Theoretical and experimental determination of electron capture cross sections of H+ and O+ collision with H2, D2 and hydrocarbons in energy range of 0.2 to 4.0 keV.– Collaboration with Drs. M. Kimura (Kyushu Un

iv.), T. Kusakabe (Kinki Univ.), L. Pichl (ICU) and J. Buenker (Germany)

– The work has been published on Phys. Rev. A (2003-2004)

Data Production (2003-2004)

• Numerical data on sputtering yield, reflection coefficients and mean range– Collaboration with Dr. W. Eckstein (MPI,

Germany) using Monte Carlo program code (TRIM.SP)

– Numerical data are published on NIFS website http://dpc.nifs.ac.jp/DB/Eckstein/, and being input into SPUTY and BACKS.

Data Production (2003-2004)

• Measurements of absolute multi-electron transfer cross sections for Iq+ (q=10,15, 20, 25) collision with Ne, Ar, Kr, and Xe at 1.5×q keV energy.– Collaboration with Drs. A. Danjo (Niigata Univ.), K. Ho

saka (NPL, UK), M. Kimura (Kochi Univ. of Tech.), A. Matsumoto (Hiroshima Inst. Tech.), N. Nakamura (UEC), S. Ohtani (UEC), M. Sakurai (Kobe Univ.), H. Tawara (MPI, Germany), I. Yamada (NIFS) and M. Yoshino (Shibaura Inst. Tech.)

– Multi charged ion source (NICE) developed at NIFS– The work has been published on J. Phys. B 37 (2004)

Linux database system development and cluster computing of hydrocarbon PES (L. Pichl, ICU)

Network of atomic and molecular database related to the processing plasmas (H. Tanaka, Sophia Univ.)

Charged and neutral particle behavior at and near plasma facing material surfaces (K. Ohya, Tokushima Univ.)

Molecular Processes Data Compilation for NIFS Data Center (M. Kimura, Kyushu Univ.)

Database for collision processes between Be ions and H atoms (M. Kimura, Kyushu Univ.)

Task group for the plasma-wall interactions database and related computer library (K. Morita, Nagoya Univ.)

Investigation of atomic and molecular database based on data mining (A. Sasaki, JAERI)

Ion source development for the research of high Z impurity ions (S. Ohtani, UEC)

Spectroscopic diagnostics in boundary plasmas (T. Nakano, JAERI)

Working Group for Atomic and Molecular data activities in Japan (T. Kato, NIFS)

A&M Research Collaboration Program (domestic) at NIFS (2004)

NIFS-DATA-82 M. HayashiBibliography of Electron and Photon Cross Sections with Atoms and Molecules Published in the 20th Century - Hydrogen molecules - (Feb. 2004)

NIFS-DATA-83 M. HayashiBibliography of Electron and Photon Cross Sections with Atoms and Molecules Published in the 20th Century - Hydrogen Halide Molecules – (Mar. 2004)

NIFS-DATA-84 K. Ohya, A. Chen, J. Kawata, K. Nishimura, D. Kato, T. Tanabe and T. Kato

ELECTRAN - Monte Carlo Program of Secondary Electron Emission from Monoatomic Solids under the Impact of 0.1 - 10 keV Electrons (Mar. 2004)

NIFS-DATA-85 I. Murakami, T. Kato, U.I. Safronova and A.A. VasilyevDielectronic Recombination Rate Coefficients to Excited States of Boronlike Oxygen and Dielectronic Satellite Lines (May 2004)

NIFS-DATA-86 I. Murakami , J. Yan , H. Sato , M. Kimura , R. K. Janev , T. KatoCollision Processes of Li3+ with Atomic Hydrogen: Cross Section Database (Aug. 2004)

NIFS-DATA-87 M. HayashiBibliography of Electron and Photon Cross Sections with Atoms and Molecules Published in the 20th Century - Ammonia and Phosphine – (Aug. 2004)

NIFS-DATA-88 N. Yamamoto, T. Kato and F.B. RosmejOpacity Free and Space Resolved X-ray Diagnostics Based on Satellinte Lines near H-like Lyα of Highly Charged Ions (Sep. 2004)

NIFS-DATA-89 T. Ono, Y. Aoki, T. Kawamura, T. Kenmotsu, Y. YamamuraAn Extended Formula for the Energy Spectrum of Sputtered Atoms form a Material Irradiated by Light Ions (Oct. 2004)

NIFS-DATA-90 M. HayashiBibliography of Electron and Photon Cross Sections with Atoms and Molecules Published in the 20th Century - Methane – (Oct. 2004)

NIFS-DATA Series published in 2004

• 4th ICAMDATA was hosted by NIFS– The first ICAMDATA in Asia.– 180 participants from 23 countries.– 37 invited talks and 116 contributed poster papers.– Special lecture by Prof. R. B. Laughlin, the 1998

Nobel prize laureate for physics.– Proceedings for the invited talks published on AIP

Conference Proceedings 771, contributed poster papers will be published on special issue of J. Plasma and Fusion Research series

Oct. 5-8, 2004, Toki, Japan

Foreign Visitors in 2004

• R.K. Janev (Macedonia)• J. Yan (IAPCM, China)• J. Horacek (Charles Univ., Czech Republi

c)• Yu. Ralchenko (NIST, USA)• W. Eckstein (MPI, Germany)• U.I. Safronova (Univ. Nevada, USA)• Y-J. Rhee (KAERI, Korea)

Schedule

• SSL (Secure Socket Layer) encryption will start in Oct. 2005.– http://dbshino.nifs.ac.jp https://dbshino.nifs.a⇒

c.jp (redirect automatically)– access from GENIE

• DB server machine replacement is scheduled in Dec. 2005 – Jan. 2006.