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Chalmers University of Technology Kumar Babu Surreddi Materials and Manufacturing Technology Introduction to JMatPro and Thermo-Calc Kumar Babu Surreddi
Chalmers University of Technology
Kumar Babu Surreddi
Materials and Manufacturing Technology
Introduction to JMatPro and Thermo-Calc
Kumar Babu Surreddi
Chalmers University of Technology
What is JMatPro?
Materials and Manufacturing TechnologyKumar Babu Surreddi
• JMatPro – Java –based Materials Properties
• a simulation software which calculates a wide range of materials properties for alloys and is particularly aimed at multicomponent alloys used in industrial practice
• designed for any engineer and scientist who requires knowledge of materials properties and behavior as part of their daily work
• Advantages– Fast and robust calculations
– Ease of use due to an intuitive user interface
– Sound prediction of properties
• The various material types currently available in JMatPro are:– Al based alloys, Mg based alloys, Fe (general steel, cast iron and stainless steels),
Ni based and NiFe based super alloys, and single crystals
Chalmers University of Technology
What can JMatPro do?
Materials and Manufacturing TechnologyKumar Babu Surreddi
Stable and metastable phase equilibria•Temperature stepping calculations•Concentration stepping calculations
Thermo-physical and physical properties •specific heat•enthalpy•density•thermal expansion coefficient•linear expansion•thermal conductivity•electrical conductivity/resistivity•liquid viscosity/diffusivity•Poisson's ratio•Young's/bulk/shear moduli•Gamma/Gamma' mismatch
Solidification calculation•Scheil-Gulliver solidification •Modified Scheil-Gulliver solidification to include fast C and N diffusion in steels •Thermo-physical and physical properties during solidification•Solid state transformation in cast irons
Mechanical properties•Proof stress, tensile stress and hardness•Inter-conversion between stress and hardness •stress-strain curves•creep and rupture life/strength Phase transformations•TTT/CCT curves•Phase transformations and properties during continuous cooling and isothermal holding•Gamma'/Gamma" coarsening in Ni alloys
Chalmers University of Technology
JMatPro
Materials and Manufacturing TechnologyKumar Babu Surreddi
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
The main input window and menu
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Materials browser
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
The properties window for specific alloys
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
The properties window for specific alloys
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – AISI 3310
Thermal Properties – temperature step calculation
input
output
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – 350HT
Thermal Properties – concentration step calculation
input
output
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – AISI 3310
Phase transformation – TTT/CCT diagrams
input output
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – AISI 3310
Quench Properties
inputoutput
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – AISI 4140
Quench Properties – Strength vs Temperature and Cooling rate
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro General steel – AISI 4815
Jominy Hardenability
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro Aluminum alloys
Thermal Properties – temperature step calculation
input
output
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro Aluminum alloys
Solidification – Phases and properties
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro Nickel based superalloy
Mechanical Properties – high temperature strength
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by JMatPro Nickel based superalloy
Mechanical Properties – creep
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Thermo-Calc
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
What is Thermo-Calc?• Thermo-Calc (TCW) Thermodynamic calculations software with user-
friendly graphical interface
• The company Thermo-Calc Software AB was founded in 1997 as an offspring from the department of Materials Science and Engineering at KTH, Stockholm, Sweden
• An intuitive way of performing advanced thermodynamic calculations
• TCW is used for calculation of – Multicomponent phase diagrams and property diagrams
– Thermochemical data such as enthalpies, heat capacity, and activities– Solidification simulations with the Scheil-Gulliver model
• Benefits – highly versatile with multiple applicability in the field of materials science and
engineering
– provide better understanding of the factors that affect material behavior
– help reduce costs by quickly identifying control parameters or alloy compositions
– multi-functional
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
• based on high-quality thermodynamic databases developed by critical assessments and systematical evaluations of various experimental data and theoretical information using the CALPHAD method
• databases from various sources such as SGTE, CAMPADA, CCT, ThermoTech, NPL, NIST, MIT, Theoretical Geochemistry Group, etc.
• currently, there are accurate thermodynamic databases available for many different types of materials, such as:
Steels/Fe-alloys Ni-based superalloys Al-based alloys Mg-based alloys Ti-based alloys SoldersNobel metals Semi-conductors Nuclear materialsZr-based alloys Slags Ceramics Super-conductors Thermal barrier coatings Solid Oxide fuel cells Molten salts
Minerals Aqueous solutions Gases … and many more ...
Thermo-Calc database
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Thermo-Calc databaseCompounds SSUB4: SGTE Substances Database General alloys SSOL5: SGTE Solutions Database Steels and Fe-alloys TCFE7: TCS Steels/Fe-Alloys database Nickel and Ni-alloys TCNI5: TCS Ni-based Superalloys Database TTNI8: Thermotech Ni-based Superalloys Database Light metals alloys TCAL1: TCS Al-based Alloys Database TCMG1: TCS Mg-based Alloys Database TTAL8: Thermotech Al-based Alloys Database TTTI3: Thermotech Ti-based Alloys Database TTTIAL1: Thermotech TiAl-based Alloys Database TTMG5: Thermotech Mg-based Alloys Database COST2: COST507 Light Alloys Database
Solder alloys and electronic packaging TCSLD1: TCS Solder Alloy Solutions Database USLD1: NIST Solder Solutions Database Other alloys SNOB3: SGTE Noble Metal Alloys Database TTZR1: Thermotech Zr-based Alloys Database, Specific materials CCC1: Cemented Carbides Database SEMC2: TCS Semiconductors Database STBC2: SGTE Thermal Barrier Coatings Database TCSC1: TCS Super Conductor database TCFC1: TCS Solid Oxide Fuel Cell Database
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Thermo-Calc databaseSlag, molten salts, oxides and ionic solutions SLAG3: TCS Fe-containing Slag DatabaseTCOX4: TCS Metal Oxide Solutions Database NOX2 : NPL Oxide Solutions Database SALT1: SGTE Molten Salts Database Metallurgical & materials processing & environmentalTCMP2: TCS Materials Processing Database TCES1: TCS Sintering/Incineration/Combustion Database Aqueous solutions TCAQ2: TCS Aqueous Solution DatabaseAQS2: TGG Aqueous Solution Database Minerals GCE2: TGG Geochemical/Environmental Database
Nuclear materials NUMT2: TCS/AEAT Pure Radionuclides Database NUOX4: TCS/AEAT Nuclear Oxides DatabaseTCNF2: TCS Nuclear Fuels DatabaseNUCL10: Thermodata Nuclear Alloys-Oxides DatabaseMEPH11: Thermodata Nuclear Fuels Database
Mobility databases: MOB2: TCS Alloys Mobility DatabaseMOBFE2 TCS Steels/Fe-Alloys Mobility DatabaseMOBNI1: TCS Ni-alloys Mobility DatabaseMOBNI2: TCS Ni-alloys Mobility DatabaseMOBAL1: TCS Al-alloys Mobility DatabaseMOBAL2: TCS Al-alloys Mobility Database
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Thermo-Calc applications• Phase diagrams (binary, ternary, isothermal, etc.) (up to 3 independent variables)• Thermodynamic properties of pure substances, compounds and solution phases• Property diagrams (fraction of phases, Gibbs energy, enthalpy, Cp, volume, etc.) (up to 20
components)• Partial gaseous pressures, chemical potentials of volatile species (up to 1000 species)• Scheil-Gulliver solidification simulation and its extension by considering interstitial back diffusion
in solid phases• Liquidus surfaces for multicomponent alloys• Thermodynamic factors, driving forces• Heterogeneous equilibria (up to 20 components)• Metastable equilibria• Special quantities: e.g., To, A3-temperature, adiabatic T, chill factors, ∂ T/∂ X, etc.• Oxide-layer formation on steel surfaces, steel/alloy refining, so-called PRE numbers• Evolution of hydrothermal, metamorphic, volcanic, sedimentary, weathering processes• Speciation in corrosion, recycling, remelting, sintering, incineration, combustion• CVD diagrams, thin-film formation• CVM calculations, chemical ordering-disordering• "Anything you can think of which represents an equilibrium ..."
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
The main window and menu
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –binary phase diagram
Fe-Cr phase diagram
input output
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –binary phase diagram
Fe-Cr phase diagramRedefine axes
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –ternary phase diagram
Isothermal section of Fe-Cr-C phase diagram at 1000ºC
Carbon saturation line
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –phase diagram
20MnCrS5 phase diagram
Selecting the material Choose diagram mapDefine temperature and compositions of C
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –phase diagram
20MnCrS5 phase diagram
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –phase diagram
Fe-Cr-C Scheill solidification
Chalmers University of Technology
Materials and Manufacturing TechnologyKumar Babu Surreddi
Typical calculations by Thermo-Calc –phase diagram
Practical application – Knife - AISI 440C (Cr 17wt%, C 1.1wt%, Fe balance) Austenitization temperature?
Conditions for knife • Carbon content in austenite matrix ~0.5 wt. pct. or higher (hardness ~63-64 HRC)• Chromium content – at least 12 wt. pct. (for corrosion resistance)
Isothermal section of Fe-Cr-C phase diagram at 1000ºC (left) and 1100ºC (right)
