.png){kind=icon}
返回
A new algorithm to calculate binary phase diagrams
.png){kind=icon}
PRE
AI
DOI：10.1016/j.commatsci.2018.12.036.png)
.png){kind=icon}
原文求助.png){kind=icon}
分享.png){kind=icon}
收藏
摘要
En 中文
A new algorithm to calculate binary phase diagrams is described. The condition numbers of phase matrices are analyzed, which can explain the stability during iterations. The linear systems of equations from thermodynamic calculation are simplified. Such simplifications significantly reduce the condition numbers of phase matrices and improve the computational efficiency. The Cu-Mg and Al-Ta phase diagrams are computed by using a home-made code to verify the efficiency of this algorithm over the method utilizing direct matrix inversion without simplifications. It is highly expected that the presently developed algorithm can be generalized to calculate multi-component phase diagrams efficiently.
Keyword:
Computational thermodynamics
Equilibrium calculations
Phase diagrams
Linear system of equations
Algorithm
AI总结
对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。
期刊
IF:
3.3
论文数:
1.4W
被引数:
3.6W
机构
引用论文
Hydrothermal synthesis of vanadium dioxides/carbon composites and their transformation to surface-uneven V2O5 nanoparticles with high electrochemical properties水热合成二氧化钒/碳复合材料及其向高电化学性能的表面不均匀V2O5 纳米颗粒的转化.png)
RSC Advances
RSC AdvancesIF0
PREAI
分享收藏
查看更多内容