scholarly journals Ab initio-aided CALPHAD thermodynamic modeling of the Sn-Pb binary system under current stressing

2013 ◽  
Vol 3 (1) ◽  
Author(s):  
Shih-kang Lin ◽  
Chao-kuei Yeh ◽  
Wei Xie ◽  
Yu-chen Liu ◽  
Masahiro Yoshimura
Keyword(s):  
Binary System ◽  
Ab Initio ◽  
Thermodynamic Modeling ◽  
Current Stressing

scholarly journals Ab-Initio Reinvestigation of the (Sr-In) Binary System

2015 ◽  
Vol 5 (3) ◽  
pp. 227-233
Author(s):  
Raouf Beddiaf ◽  
◽  
Yassin Djaballah ◽  
Hichem Bouderba ◽  
◽  
...  
Keyword(s):  
Binary System ◽  
Ab Initio

Thermodynamic modeling of the LiCoO2–CoO2 pseudo-binary system

Calphad ◽  
2011 ◽  
Vol 35 (2) ◽  
pp. 209-218 ◽  
Author(s):  
Taichi Abe ◽  
Toshiyuki Koyama
Keyword(s):  
Binary System ◽  
Thermodynamic Modeling

Prediction of thermodynamically stable Li–B compounds at ambient pressure

2017 ◽  
Vol 19 (12) ◽  
pp. 8471-8477 ◽  
Author(s):  
Dian-Hui Wang ◽  
Huai-Ying Zhou ◽  
Chao-Hao Hu ◽  
Yan Zhong ◽  
Artem R. Oganov ◽  
...  
Keyword(s):  
Binary System ◽  
Physical Properties ◽  
Ab Initio ◽  
Crystal Structures ◽  
Phase Stability ◽  
First Principles ◽  
Ambient Pressure

To clarify controversial structures and phase stability in the Li–B system, we predicted energetically favorable compositions and crystal structures of the Li–B binary system at ambient pressure, mainly including Li6B5, LiB2, and LiB3, from ab initio evolutionary structure simulations and further investigated physical properties of stable Li–B compounds using first-principles methods.

Phase equilibria and thermodynamic modeling in the Ge–Zr binary system

2010 ◽  
Vol 46 (5) ◽  
pp. 1405-1413 ◽  
Author(s):  
Chunsheng Sha ◽  
Liangcai Zhou ◽  
Shuhong Liu ◽  
Yong Du ◽  
Tie Gang ◽  
...  
Keyword(s):  
Binary System ◽  
Phase Equilibria ◽  
Thermodynamic Modeling

Thermodynamic modeling of KF-CrF3 binary system

2015 ◽  
Vol 31 (3) ◽  
pp. 461-465 ◽  
Author(s):  
Huiqin Yin ◽  
Kun Wang ◽  
Leidong Xie ◽  
Han Han ◽  
Wenfeng Wang
Keyword(s):  
Binary System ◽  
Thermodynamic Modeling

Thermodynamic modeling of the Ge-La binary system

2012 ◽  
Vol 19 (8) ◽  
pp. 689-698 ◽  
Author(s):  
Miao Liu ◽  
Chang-rong Li ◽  
Zhen-min Du ◽  
Cui-ping Guo ◽  
Chun-ju Niu
Keyword(s):  
Binary System ◽  
Thermodynamic Modeling
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