NEWS
2012-01-02
New Heat Treatment webinar available
Mr Paul Mason at Thermo-Calc Software Inc. gave a webinar for ASM International
on the reliable simulation of heat treatment using CALPHAD based tools. Please
find it here.
2011-11-29
New software released: TC-PRISMA
TC-PRISMA is a new software package which treats concurrent nucleation, growth,
dissolution and coarsening under isothermal conditions in multi-component and
multi-phase systems using Langer-Schwartz theory and the Kampmann-Wagner
numerical approach. Jointly developed by Thermo-Calc Software AB and QuesTek Innovations LLC,
the software extends the functionality currently available through Thermo-Calc and
DICTRA. Please read more here and on QuesTek's website.
2011-06-23
Training courses
The autumn's round of standard training courses are now announced. For more information and registration,
please visit Courses
2011-06-23
Thermo-Calc Software are pleased to announce the release of several new databases. Developed using the CALPHAD approach, each of these databases are based on the critical evaluation of binary, ternary and in some cases high order systems.
Nickel Superalloys
TCNI5 - TCS Ni-based superalloys database
- Critically assessed thermodynamic database for 23 elements, 292 phases
- Elements included: Al. Ar, B, C, Co, Cr, Fe, H, Hf, Mo, N, Nb, Ni, O, Pd, Pt, Re, Si, Ta, Ti, V, W, Zr
- Ordered and disordered bcc (A2 and B2) and fcc (A1 and L12/gamma prime) phases are modeled with a two sub-lattice model using a single Gibbs
energy curve
which enables order/disorder transformations to be modeled
- All binary systems and most Ni-containing ternary systems have been assessed to the full range of composition
- Molar volume data assessed for most phases of importance to Ni-based Superalloys
- More information: TCNI5 - TCS Ni-based superalloys database
MOBNI2 - TCS Ni-alloys Mobility Database.
- Critically assessed mobility data for 17 elements and 5 phases
- Mobility data for gamma, gamma prime, bcc, fcc, Liquid (i.e. mobility data is included for ordered phases)
- Assessments are based on compatibility with TCNI5
- More Information: MOBNI2 - TCS Ni-alloys Mobility Database
Aluminium
TCAL1 - TCS Al-based alloys Database, v1
- Critically assessed thermodynamic database for 26 elements, 349 phases
- Elements included: Ag, Al, B, C, Ca, Cr, Cu, Fe, Ge, H, Hf, K, La, Li, Mg, Mn, Na, Ni, Sc, Si, Sn, Sr, Ti, V, Zn, Zr
- 149 binary systems, 56 ternary systems and a number of critical quarternary systems have been assessed to the full range of composition
- More information: TCS Al-based alloys Database, v1
MOBAL2 - TCS Al-alloys mobility database, v2.
- Critically assessed mobility data for 26 elements and 2 phases (FCC_A1 and LIQUID)
- Mobility data for 28 binary systems and a number of critical ternary systems have been assessed to the full range of composition
- Assessments are based on compatibility with TCAL1
- More information: MOBAL2 - TCS Al-alloys mobility database, v2
Metal Oxides
TCOX4 - TCS Metal Oxide Solutions Database
- Critically assessed thermodynamic database for 10 elements, 84 phases
- Elements included: Al, C, Ca, Cr, Fe, Mg, Mn, Ni, O, Si
- TCOX4 contains a further extension of the metal-oxide description in ION3
- All of the constituent binary systems have been assessed for their full range of composition, plus all of the O-ternary systems and many other ternary
systems as well
- More information: TCOX4 - TCS Metal Oxide Solutions Database
TCSC1 - TCS Superconductor Database
- Critically assessed thermodynamic database for 6 elements, 43 phases
- Elements included: Ag, Bi, Ca, Cu, O, Sr
- More information: TCSC1 - TCS Superconductor Database
TCFC1 - TCS Solid Oxide Fuel Cell Database
- Critically assessed thermodynamic database for 6 elements, 42 phases
- Elements included: La, Mn, O, Sr, Y, Zr
- More information: TCFC1 - TCS Solid Oxide Fuel Cell Database
CALPHAD Best paper 2010 Award
Volume 33, Issue 1, March 2009, Pages 227-232
Experimental and Computational investigation of intermetallic systems: A Special Issue Dedicated to Prof. Riccardo Ferro
Parameters in the compound energy formalism for ionic systems
M. Hillert, L. Kjellqvist, H. Mao, M. Selleby, and B. Sundman
Department of Materials Science and Engineering, KTH, SE-10044 Stockholm, Sweden
Received 11 April 2008; revised 26 May 2008; accepted 26 May 2008. Available online 17 July 2008. Abstract
The compound energy formalism, CEF, involves many model parameters. They are evaluated to give the best fit to the experimental information.
The optimisation is simpler if less parameters need to be adjusted. The maximum number of independent parameters that can be evaluated depends on the information available. The best choice of parameters is first discussed for simple ionic substances with an internal variable, then for solutions of two or four such substances. To reduce the number of parameters, independent parameters are conveniently defined as combinations of primary model parameters. That may be possible when there is an internal variable, which can take only one value, the value that minimizes the Gibbs energy. Such combinations may be regarded as the true optimisation parameters and they may be used actively during an optimisation. The present discussion deals with substances with an internal variable and mixtures, which may have more than one internal variable.
The conclusions apply equally well to non-ionic systems if the information is limited to stoichiometric compositions.
The optimisation parameters should then be defined for stoichiometric overall compositions.
Keywords: Thermodynamics; Modelling; Compound energy; Stoichiometric substances; Ionic substances
CALPHAD Annual Awards:
The Best Paper Award for papers published in the CALPHAD journal The paper for the Best Paper Award will be voted for by the CALPHAD Advisory and Editorial Board members. The Best Paper Award consists of $500 from CALPHAD and a certificate.
TCSAB - New office
After 13 years in the same building Thermo-Calc Software AB has a new office at a new location from May 3:rd, 2010. New directions here.
The new office is designed to meet our present and future activites.
It would be a pleasure to see you as a visitor at our new address:
Norra Stationsgatan 93, Plan 5
SE-113 64 Stockholm
Sweden
Cooperation
Thermo-Calc Software AB and QuesTek Innovations LLC agree to cooperatively develop new precipitation modeling software.
Newsletter 34 out July 2:nd 2009
New Databases
· ION3: TCS Ionic Solutions Database
· STBC2: SGTE Thermal barrier coatings database
· TTAL7: Thermotech Al-based Alloys Database
· TTNI8: Thermotech Ni-based Super-alloys Database:
· MOBFE: TCS Steels/Fe-Alloys Mobility Database
Read more in the database descriptions here.
New Software Versions
The new versions of Thermo-Calc, DICTRA and Programming Interfaces are available.
All our Maintenance & Support Subscribers have received their new versions and we hope they are enjoying the improvements as much as we do.
For more information please read the release notes for the new versions.
