Thermo-Calc & Phase Equilibria For … & Phase Equilibria Thermo-Calc makes thermodynamic and phase...
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CALCULATE For Thermodynamics & Phase Equilibria Thermo-Calc Thermo-Calc makes thermodynamic and phase equilibria predicons easy and accessible, so you don’t need to be an expert in thermodynamics to use it. Yet the soſtware offers sophiscated and flexible funcons, so it’s applicable for even the most advanced users. Stable and meta-stable heterogeneous phase equilibria Amounts of phases and their composions as a funcon of temperature and chemistry Phase transformaon temperatures, such as liquidus, solidus and solvus Phase diagrams, binary, ternary and isoplethal and isothermal secons for higher order systems Thermochemical data such as enthalpies, heat capacity and acvies Driving force for phase transformaons Solidificaon applying the Scheil-Gulliver model Thermodynamic properes of chemical reacons Pourbaix diagrams and other calculaons involving aqueous soluons Windows, Linux and Mac OS Refer to our website for complete system requirements Single machine or network install Annual or perpetual opons License fees depend on several factors, i.e., database selecon EASY TO USE PLATFORM LICENSES Minerals Nobel metals Ceramics Aqueous solutions Al-based alloys Semi-conductors Super-conductors Gases Mg-based alloys Nuclear materials TBC, SOFC Ti-Based alloys Zr-based alloys Molten salts and many more... Steel/Fe alloys Solders Slags Ni-based superalloys Thermo-Calc is a powerful software package for the calculation of thermodynamic and phase equilibria. In conjunction with suitable thermodynamic databases, assessed using the CALPHAD approach, Thermo-Calc can be used for a wide variety of applications. Evolution Originally developed at the Royal Institute of Technology in Stockholm, Sweden, in the early 1980s, Thermo-Calc has been a trusted resource for customers around the world in industry, government and academia for more than 30 years. Today Thermo-Calc is used by more than 1300 organizations in over 70 countries. With more than 14,000 journal citations and cited in over 100 patents, Thermo-Calc has consistently been one of the most widely used software products in the field of computational materials science and engineering and is a leader in the field. Consistently Maintained and Updated Thermo-Calc has been consistently updated and improved over its 30 years to satisfy the evolving needs of our user-base. Thermo-Calc is now on a two-times-per-year release cycle and customers with a maintenance and support subscription receive these updates for free. Technical Support and Training Thermo-Calc is backed by a dedicated customer technical support team. We also have agents around the world, as well as a subsidiary in the USA, who provide local customer support. Training courses are offered twice a year in Stockholm, Sweden, and Pittsburgh, PA, USA, as well as other locations around the world. We also provide training videos, available on our website. High Quality Thermodynamic Databases Over 30 thermodynamic databases, developed based on the CALPHAD approach, are available for use with Thermo-Calc. The databases cover a broad range of materials, systems and applications, including:
Transcript of Thermo-Calc & Phase Equilibria For … & Phase Equilibria Thermo-Calc makes thermodynamic and phase...
CALCULATE
For Thermodynamics & Phase EquilibriaThermo-Calc
Thermo-Calc makes thermodynamic and phase equilibria predictions easy and accessible, so you don’t need to be an expert in thermodynamics to use it. Yet the software offers sophisticated and flexible functions, so it’s applicable for even the most advanced users.
Stable and meta-stable heterogeneous phase equilibriaAmounts of phases and their compositions as a function of temperature and chemistryPhase transformation temperatures, such as liquidus, solidus and solvusPhase diagrams, binary, ternary and isoplethal and isothermal sections for higher order systemsThermochemical data such as enthalpies, heat capacity and activitiesDriving force for phase transformationsSolidification applying the Scheil-Gulliver modelThermodynamic properties of chemical reactionsPourbaix diagrams and other calculations involving aqueous solutions
Windows, Linux and Mac OSRefer to our website for complete system requirements
Single machine or network installAnnual or perpetual optionsLicense fees depend on several factors, i.e., database selection
EASY TO USE
PLATFORM
LICENSES MineralsNobel metalsCeramicsAqueous solutionsAl-based alloys
Semi-conductorsSuper-conductorsGasesMg-based alloysNuclear materials
TBC, SOFCTi-Based alloysZr-based alloysMolten saltsand many more...
Steel/Fe alloysSoldersSlagsNi-based superalloys
Thermo-Calc is a powerful software package for the calculation of thermodynamic and phase equilibria. In conjunction with suitable thermodynamic databases, assessed using the CALPHAD approach, Thermo-Calc can be used for a wide variety of applications.
EvolutionOriginally developed at the Royal Institute of Technology in Stockholm, Sweden, in the early 1980s, Thermo-Calc has been a trusted resource for customers around the world in industry, government and academia for more than 30 years. Today Thermo-Calc is used by more than 1300 organizations in over 70 countries. With more than 14,000 journal citations and cited in over 100 patents, Thermo-Calc has consistently been one of the most widely used software products in the field of computational materials science and engineering and is a leader in the field.
Consistently Maintained and UpdatedThermo-Calc has been consistently updated and improved over its 30 years to satisfy the evolving needs of our user-base. Thermo-Calc is now on a two-times-per-year release cycle and customers with a maintenance and support subscription receive these updates for free.
Technical Support and Training Thermo-Calc is backed by a dedicated customer technical support team. We also have agents around the world, as well as a subsidiary in the USA, who provide local customer support. Training courses are offered twice a year in Stockholm, Sweden, and Pittsburgh, PA, USA, as well as other locations around the world. We also provide training videos, available on our website.
High Quality Thermodynamic DatabasesOver 30 thermodynamic databases, developed based on the CALPHAD approach, are available for use with Thermo-Calc. The databases cover a broad range of materials, systems and applications, including:
APPLICATIONS
Thermo-Calc
Thermo-Calc Software ABEmail: [email protected]: +46-8-545 959 30Fax: +46-8-673 37 18
USA, Canada and MexicoEmail: [email protected]
Phone: (724) 731 0074Fax: (724) 731 0078
www.thermocalc.com
Reduce costly, time-consuming experiments and testing
Increase the value of experiments through better pre-screening and interpretation of the results
Optimise and define safe processing windows
Base decisions on scientifically supported data and models
Shorten development time and bring products to market faster
Build and safeguard intellectual knowledge
Improve the quality and consistency of products through deeper understanding
Make predictions that are difficult or even impossible with an experimental approach
Thermo-Calc can be used to understand many different phases in the life-cycle of a material, such as:
Alloy and materials development
Metallurgical extraction and refining
Casting
Forging/Hot rolling
Heat treatment
Joining/Welding/Soldering
Quality control
Materials selection
Corrosion
Underlying causes of failure
Waste and recycling
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BENEFITS
Binary and Ternary Phase Diagrams are conveniently calculated
Phase Diagrams for multicomponent systems
0.0 2.5 5.0 7.5 10.0
pH
1.5
1.0
0.5
0.0
-0.5
-1.0
-1.5
Eh (V
)
0.0
0.1
0.2
0.3Hat
Ran
0.4
0.5
Two Liq.
0.6
0.7
0.8
0.9
1.0
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
CaO w(Al2O3) Al2O3
w(S
iO2)
SiO2
0.1
0.2
0.3
0.4
0.5
0.60.7
0.8
0.9
1.0
Mol
e Fr
actio
n Al
Al13Fe4
Al5Fe2Al2Fe
Liquid
UAl4MnAl11Mn4_LT
Al8Mn5
Hcp_A3
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
Fe Mole Fraction Mn Mn0.00 0.25 0.50 0.75 1.00 1.25 1.50
Weight percent C
1500
1250
1000
750
Tem
pera
ture
, Cel
cius
Al R. Umino et al. (2006)Phase boundary2nd-order transition
0.0
Pourbaix Diagrams for aqueous systems
Liquidus Projection
0.0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1.0
Fraction of Solid
1450
1400
1350
1300
1250
1200
1150
1100
1050
1000
Tem
pera
ture
, ˚C
Advanced SCHEIL Module
1 Liq+Bcc2 Liq+Bcc+Fcc3 Liq+Fcc4 Liq+Fcc+M6C5 Liq+Fcc+M6C+MC6 Liq+Fcc+M6C+MC+M7C3
EquilibriumScheil-GulliverParial EquilibriumExperiment
Property Diagrams for multicomponent systems
500 750 1000 1250 1500
Temperature, Celsius
100
90
80
70
60
50
40
30
20
10
0
Stab
le p
hase
s (W
eigh
t per
cent
)
1: X=T-273.15 Y=BP(FCC_A1#1)2: X=T-273.15 Y=BP(FCC_A1#2)3: X=T-273.15 Y=BP(M6C)4: X=T-273.15 Y=BP(LIQUID)5: X=T-273.15 Y=BP(BCC_A2)6: X=T-273.15 Y=BP(M23C6)
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