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CALPHAD approach

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Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005511
EISBN: 978-1-62708-197-9
... of a phase diagram calculation with kinetic and microstructural evolution models greatly enhances the power of the CALPHAD approach in materials design and processing development. It also discusses the limitations of the CALPHAD approach. References 1. Kaufman L. , Computer Calculation...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005402
EISBN: 978-1-62708-196-2
... equilibrium data are essential to calculate a correct phase diagram in many cases. In this article, the phenomenological or Calphad approach is used to calculate phase diagrams. The essence of this approach is to obtain thermodynamic descriptions of the lower-order systems, binaries and ternaries, in terms...
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005536
EISBN: 978-1-62708-197-9
.... , Upgrading CALPHAD to Microstructure Simulation: The Phase-Field Method , Int. J. Mater. Res. , Vol 100 , 2009 , p 2 14. Eiken J. , Böttger B. , and Steinbach I. , Multiphase-Field Approach for Multicomponent Alloys with Extrapolation Scheme for Numerical Application , Phys. Rev...
Series: ASM Handbook
Volume: 4E
Publisher: ASM International
Published: 01 June 2016
DOI: 10.31399/asm.hb.v04e.a0006257
EISBN: 978-1-62708-169-6
... and IMP is what makes this possible. In the approach described herein, commercially available thermodynamic and kinetic CALPHAD (CALculation of PHAse Diagrams) software has been used in a carefully designed and prescribed algorithm to homogenize austenitic, martensitic, and ferritic steels as well...
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005517
EISBN: 978-1-62708-197-9
... of composition of γ and γ′ determined experimentally, as given in the legend by reference numbers, with calculated results ( Ref 37 ) in nickel-base superalloys for (a) chromium, (b) aluminum, and (c) cobalt Abstract This article presents the background to the CALculation of PHAse Diagrams (CALPHAD...
Series: ASM Handbook
Volume: 4E
Publisher: ASM International
Published: 01 June 2016
DOI: 10.31399/asm.hb.v04e.a0006277
EISBN: 978-1-62708-169-6
.... Zhang L. , Stratmann M. , Du Y. , Sundman B. , and Steinbach I. , Incorporating the CALPHAD Sublattice Approach of Ordering into the Phase-Field Model with Finite Interface Dissipation , Acta Mater ., Vol 88 , 2015 , p 156 – 169 10.1016/j.actamat.2014.11.037 88...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005415
EISBN: 978-1-62708-196-2
... of order parameters for each element (see review in Ref 92 ). A combination of polynomial and CALPHAD approaches has become an effective means for treating multiphase systems of both structural and chemical nonuniformities. In this approach, the CALPHAD method provides the free energy of each individual...
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005518
EISBN: 978-1-62708-197-9
...., The Institute of Materials , London , 1996 , p 94 – 98 71. Hillert M. and Sundman B. , Calphad , Vol 14 , 1990 , p 111 – 114 72. Chen Q. and Sundman B. , Mater. Trans. , Vol 43 , 2002 , p 551 – 559 73. Kraft T. , Rettenmayr M. , and Exner H.E...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005438
EISBN: 978-1-62708-196-2
.... Mitsutani ( Ref 7 ) for bainitic kinetics. These models are built hierarchically, using other models for thermodynamics (CALPHAD based) ( Ref 8 ), elastic modulus ( Ref 9 ), and distributed defect potency ( Ref 10 ). Calibration of such a complex model begins with subcalibration of the individual models...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005430
EISBN: 978-1-62708-196-2
.... and Bernstein H. , Computer Calculation of Phase Diagrams , Academic Press , London , 1970 27. Saunders N. and Miodownik A.P. , CALPHAD Calculation of Phase Diagrams: A Comprehensive Guide , Cahn R.W. , Ed., Elsevier Science Inc. , New York , 1998 28. Lukas H...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005427
EISBN: 978-1-62708-196-2
... MicroMod was developed to couple solid-state diffusion, dendrite arm coarsening, and dendrite tip undercooling directly with a commercial multicomponent phase diagram (CALPHAD) computation , Pandat. Results from phase-transformation kinetic models, such as the commercial tool Dictra, were used...
Series: ASM Handbook
Volume: 1A
Publisher: ASM International
Published: 31 August 2017
DOI: 10.31399/asm.hb.v01a.a0006295
EISBN: 978-1-62708-179-5
... of Carbon and Silicon , The Metallurgy of Cast Iron , Lux B. et al. , Ed., Georgi Publishing , 1975 , p 31 8. Saundersand N. and Miodownik A.P. , CALPHAD—Calculation of Phase Diagrams, A Comprehensive Guide , Pergamon Materials Series , 1998 9. Lukas H.L...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005425
EISBN: 978-1-62708-196-2
... and thermal physics (due to, for example, Gibbs, Ising, and others) led to a great expansion of mechanism-based models, such as those designed to predict phase equilibria (e.g., Calphad), recrystallization and grain growth (Monte Carlo and cellular-automaton techniques), and precipitation and solidification...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005429
EISBN: 978-1-62708-196-2
... Toolkit: A User Guide , Calphad , Vol 26 , 2002 , p 539 – 553 80. van de Walle A. , Ghosh G. , and Asta M. , Ab Initio Modeling of Alloy Phase Stability , Applied Computational Materials Modeling: Theory, Simulation and Experiment , Bozzolo G. , Noebe R.D...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005408
EISBN: 978-1-62708-196-2
... CALPHAD approach ( Cal culation of Pha se D iagrams). For aluminum alloys, many of the required data have been determined in the European research program COST 507 ( Ref 20 ). One of the most sophisticated databases available — including the 16 most important alloy elements of wrought aluminum alloys...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005406
EISBN: 978-1-62708-196-2
... PF simulation and CALPHAD calculation was first demonstrated in Ref 23 and is described in more detail in Ref 13 and 24 . For alternative approaches see Ref 25 , 26 . It must be stated clearly that only a reliable description of the alloy thermodynamics of the bulk phases enables a realistic...
Book: Casting
Series: ASM Handbook
Volume: 15
Publisher: ASM International
Published: 01 December 2008
DOI: 10.31399/asm.hb.v15.a0005236
EISBN: 978-1-62708-187-0
... of the individual bulk phases f α are tabulated as functions of the alloy composition c α i . The direct coupling between PF simulation and CALPHAD calculation was first demonstrated in Ref 23 and is described in more detail in Ref 13 and 24 . For alternative approaches see Ref 25 , 26...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.a0005410
EISBN: 978-1-62708-196-2
.... and Nastar M. , Classical Nucleation Theory in Ordering Alloys Precipitating with L1 2 Structure , Phys. Rev. B , 75 , 2007 , p 132102 36. Spencer P. , A Brief History of CALPHAD , Calphad , 32 , 2008 , p 1 37. Saunders N. and Miodownik A.P. , CALPHAD...
Series: ASM Handbook
Volume: 22B
Publisher: ASM International
Published: 01 November 2010
DOI: 10.31399/asm.hb.v22b.a0005544
EISBN: 978-1-62708-197-9
.../advanced-materials/measurement-techniques/modelling/mtdata Pandat Pandat software is an integrated computational environment for phase diagram calculation and materials property simulation of multicomponent systems based on the CALPHAD (CALculation of PHAse Diagram) approach. CompuTherm LLC http...
Series: ASM Handbook
Volume: 22A
Publisher: ASM International
Published: 01 December 2009
DOI: 10.31399/asm.hb.v22a.9781627081962
EISBN: 978-1-62708-196-2