Computational thermodynamics and kinetics in materials modelling and simulations

被引:9
|
作者
Shi Ping-Fang [1 ]
Engstroem, Anders [1 ]
Hoeglund, Lars [1 ]
Qing, Chen [1 ]
Sundman, Bo [2 ]
Agren, John [2 ]
Hillert, Mats [2 ]
机构
[1] Thermo Calc Software AB, SE-11347 Stockholm, Sweden
[2] Royal Inst Technol, Dept Mat Sci & Technol, SE-10044 Stockholm, Sweden
关键词
D O I
10.1016/S1006-706X(08)60081-3
中图分类号
TF [冶金工业];
学科分类号
0806 ;
摘要
[No abstract available]
引用
收藏
页码:210 / 215
页数:6
相关论文
共 50 条
  • [21] Computational modelling in materials at the University of the North
    Ngoepe, PE
    Catlow, CRA
    SOUTH AFRICAN JOURNAL OF SCIENCE, 2005, 101 (9-10) : 475 - 479
  • [22] A comparison of struvite precipitation thermodynamics and kinetics modelling techniques
    Natividad Marin, Leynard
    Burns, Max William
    Schneider, Phil
    WATER SCIENCE AND TECHNOLOGY, 2023, 87 (06) : 1393 - 1422
  • [23] Modelling precipitation kinetics: Evaluation of the thermodynamics of nucleation and growth
    Rheingans, Bastian
    Mittemeijer, Eric J.
    CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2015, 50 : 49 - 58
  • [24] Theoretical-computational modelling of the temperature dependence of the folding-unfolding thermodynamics and kinetics: the case of a Trp-cage
    D'Abramo, Marco
    Del Galdo, Sara
    Amadei, Andrea
    PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2019, 21 (41) : 23162 - 23168
  • [25] Thermodynamics and kinetics of methylboroxine•amine adduct formation:: A computational study
    Kua, Jeremy
    Gyselbrecht, Charles R.
    JOURNAL OF PHYSICAL CHEMISTRY A, 2007, 111 (22): : 4759 - 4766
  • [26] ALLOY DESIGN STRATEGIES THROUGH COMPUTATIONAL THERMODYNAMICS AND KINETICS APPROACHES
    Arroyave, Raymundo
    Li, Shengyen
    Zhu, Ruixian
    Karaman, Ibrahim
    PROCEEDINGS OF THE TMS MIDDLE EAST - MEDITERRANEAN MATERIALS CONGRESS ON ENERGY AND INFRASTRUCTURE SYSTEMS (MEMA 2015), 2015, : 461 - 470
  • [27] A Comprehensive Computational Study on the Thermodynamics and Kinetics of Tetrahydrobiopterin Regeneration Process
    Samanta, Suvadip
    Mondal, Padmabati
    CHEMPHYSCHEM, 2024, 25 (19)
  • [28] Understanding AF Mechanisms Through Computational Modelling and Simulations
    Aronis, Konstantinos N.
    Ali, Rheeda L.
    Liang, Jialiu A.
    Zhou, Shijie
    Trayanova, Natalia A.
    ARRHYTHMIA & ELECTROPHYSIOLOGY REVIEW, 2019, 8 (03) : 210 - 219
  • [29] MODELING THE DEFORMATIONS AND THERMODYNAMICS FOR MATERIALS INVOLVING A DISLOCATION KINETICS
    STOUT, RB
    CRYSTAL LATTICE DEFECTS, 1981, 9 (02): : 65 - 91
  • [30] Noval approach for characterization of kinetics and thermodynamics for polymeric materials
    Li, Jing
    Stoliarov, Stanislav I.
    ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2014, 247