Computational Thermodynamics of Materials Zi-Kui Liu and Yi Wang

doi:10.1557/mrs.2017.21

Computational thermodynamics, Gaussian processes and genetic algorithms: combined tools to design new alloys

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/21/4/045013 ◽

2013 ◽

Vol 21 (4) ◽

pp. 045013 ◽

Cited By ~ 18

Author(s):

F Tancret

Keyword(s):

Genetic Algorithms ◽

Gaussian Processes ◽

Computational Thermodynamics

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Computational thermodynamics of the CoNiGa high temperature shape memory alloy system

Calphad ◽

10.1016/j.calphad.2013.12.005 ◽

2014 ◽

Vol 45 ◽

pp. 167-177 ◽

Cited By ~ 4

Author(s):

Arpita Chari ◽

Ebubekir Dogan ◽

Anjana Talapatra ◽

Avinash. R. Chivukula ◽

Andres Garay ◽

...

Keyword(s):

High Temperature ◽

Shape Memory Alloy ◽

Shape Memory ◽

Alloy System ◽

Computational Thermodynamics

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Application of computational thermodynamics to the determination of thermophysical properties as a function of temperature for multicomponent Al-based alloys

Thermochimica Acta ◽

10.1016/j.tca.2015.09.013 ◽

2015 ◽

Vol 619 ◽

pp. 1-7 ◽

Cited By ~ 9

Author(s):

Fabiana C. Nascimento ◽

Mara C.C. Paresque ◽

José A. de Castro ◽

Paulo A.D. Jácome ◽

Amauri Garcia ◽

...

Keyword(s):

Thermophysical Properties ◽

Computational Thermodynamics

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A study of carbide dissolution in bearing steels using computational thermodynamics and kinetics

IOP Conference Series Materials Science and Engineering ◽

10.1088/1757-899x/179/1/012021 ◽

2017 ◽

Vol 179 ◽

pp. 012021 ◽

Cited By ~ 2

Author(s):

E Erişir ◽

O G Bilir ◽

A E Gezmişoğlu

Keyword(s):

Computational Thermodynamics ◽

Thermodynamics And Kinetics ◽

Bearing Steels ◽

Carbide Dissolution

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Design of improved heat resistant materials by use of computational thermodynamics

Calphad ◽

10.1016/s0364-5916(01)00046-3 ◽

2001 ◽

Vol 25 (2) ◽

pp. 241-251 ◽

Cited By ~ 16

Author(s):

Bernhard C. Schaffernak ◽

Horst H. Cerjak

Keyword(s):

Computational Thermodynamics ◽

Heat Resistant

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Assessment of viscosity calculation for calcium-silicate based slags using computational thermodynamics

REM - International Engineering Journal ◽

10.1590/0370-44672017710029 ◽

2018 ◽

Vol 71 (2) ◽

pp. 243-252 ◽

Cited By ~ 2

Author(s):

Vinicius Cardoso da Rocha ◽

Miguel Lahr da Silva ◽

Wagner Viana Bielefeldt ◽

Antônio Cezar Faria Vilela

Keyword(s):

Calcium Silicate ◽

Computational Thermodynamics

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Analysis of pig iron desulfurization with mixtures from the CaO-Fluorspar and CaO-Sodalite system with the use of computational thermodynamics

Rem Revista Escola de Minas ◽

10.1590/s0370-44672013000400009 ◽

2013 ◽

Vol 66 (4) ◽

pp. 461-465 ◽

Cited By ~ 4

Author(s):

Felipe Fardin Grillo ◽

Raphael de Alcantara Sampaio ◽

José Flávio Viana ◽

Denise Crocce Romano Espinosa ◽

José Roberto de Oliveira

Keyword(s):

Sulfur Content ◽

Pig Iron ◽

Test Results ◽

Computational Thermodynamics ◽

Software Program ◽

Solid Phases

This work aims at the use of computational thermodynamics in the study of desulfurization of pig iron through CaO-Fluorspar and CaO-Sodalite mixtures. Experiments were performed with the addition of different mixtures from these systems in molten pig iron at a temperature of 1,400ºC. The test results were analyzed and compared with those obtained by the computational thermodynamics software program THERMOCALC. Through this software, were calculated the equilibrium sulfur content in the metal, solid phases, and the amount of liquid in each desulfurizing mixture used in the process at a temperature of 1,400ºC. The computational thermodynamics proved to be an effective tool in predicting the desulfurization capacity of the mixtures.

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