Current Status and Future Scope of Phase Diagram Studies

被引:2
作者
Enoki, Masanori [1 ]
Minamoto, Satoshi [2 ]
Ohnuma, Ikuo [2 ]
Abe, Taichi [2 ]
Ohtani, Hiroshi [3 ]
机构
[1] Tohoku Univ, Inst Multidisciplinary Res Adv Mat, Sendai, Miyagi 9808577, Japan
[2] Natl Inst Mat Sci, 1-2-1 Sengen, Tsukuba, Ibaraki 3050047, Japan
[3] Toyota Phys & Chem Res Inst, 41-1 Yokomichi, Nagakute, Aichi 4801192, Japan
关键词
diffusion couple; CALPHAD method; thermodynamic analysis; first-principles calculations; data-driven approach; COMPUTATIONAL MATERIALS SCIENCE; REGULAR SOLUTION MODEL; THERMODYNAMIC PROPERTIES; UNCERTAINTY QUANTIFICATION; CALPHAD; PREDICTION; DATABASE; BCC; COLLECTION; STABILITY;
D O I
10.2355/isijinternational.ISIJINT-2022-408
中图分类号
TF [冶金工业];
学科分类号
0806 ;
摘要
Research on alloy phase diagrams started in the middle of the 19th century and progressed into the laborious and time-consuming process of constructing phase diagrams through experiments and phenomenological calculations with thermodynamic analysis. More recently, phase diagram research has evolved into the computation of theoretical phase diagrams based on first-principles calculations and the development of new materials for high-throughput data-driven types of phase diagrams. This paper discusses the features and problems of each technique using a collection of recent papers, with the aim of describing future problems in this field.
引用
收藏
页码:407 / 418
页数:12
相关论文
共 136 条
[31]   SGTE DATA FOR PURE ELEMENTS [J].
DINSDALE, AT .
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 1991, 15 (04) :317-425
[32]   The NOMAD laboratory: from data sharing to artificial intelligence [J].
Draxl, Claudia ;
Scheffler, Matthias .
JOURNAL OF PHYSICS-MATERIALS, 2019, 2 (03)
[33]   On the stochastic phase stability of Ti2AlC-Cr2AlC [J].
Duong, Thien C. ;
Talapatra, Anjana ;
Son, Woongrak ;
Radovic, Miladin ;
Arroyave, Raymundo .
SCIENTIFIC REPORTS, 2017, 7
[34]   Revisiting thermodynamics and kinetic diffusivities of uranium-niobium with Bayesian uncertainty analysis [J].
Duong, Thien C. ;
Hackenberg, Robert E. ;
Landa, Alex ;
Honarmandi, Pejman ;
Talapatra, Anjana ;
Volz, Heather M. ;
Llobet, Anna ;
Smith, Alice I. ;
King, Graham ;
Bajaj, Saurabh ;
Ruban, Andrei ;
Vitos, Levente ;
Turchi, Patrice E. A. ;
Arroyave, Raymundo .
CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY, 2016, 55 :219-230
[35]  
Enoki M., 2022, ENCY MAT METALS ALLO, V2, P284, DOI [10.1016/B978-0-12-819726-4.00032-6, DOI 10.1016/B978-0-12-819726-4.00032-6]
[36]   Development of Performance Prediction System on SIP-MI Project [J].
Enoki, Manabu .
MATERIALS TRANSACTIONS, 2020, 61 (11) :2052-2057
[37]   Electron Theory Calculation of Thermodynamic Properties of Steels and Its Application to Theoretical Phase Diagram of the Fe-Mo-B Ternary System [J].
Enoki, Masanori ;
Takahashi, Kota ;
Mitomi, Soei ;
Ohtani, Hiroshi .
ISIJ INTERNATIONAL, 2020, 60 (12) :2963-2972
[38]   Calphad Modeling of LRO and SRO Usingab initioData [J].
Enoki, Masanori ;
Sundman, Bo ;
Sluiter, Marcel H. F. ;
Selleby, Malin ;
Ohtani, Hiroshi .
METALS, 2020, 10 (08) :1-31
[39]  
ESPEI, 2018, US
[40]  
FactSage, 2022, US