First-principles all-electron theory of atomic short-range ordering in metallic alloys:D022- versusL12-like correlations

1994 ◽  
Vol 50 (3) ◽  
pp. 1473-1488 ◽  
Author(s):  
D. D. Johnson ◽  
J. B. Staunton ◽  
F. J. Pinski
Keyword(s):  
First Principles ◽  
Short Range ◽  
Electron Theory ◽  
Short Range Ordering

Elastic anomalies and long/short-range ordering effects: A first-principles investigation of the AgcPd1−csolid solution

2012 ◽  
Vol 86 (9) ◽  
Author(s):  
Martin Hoffmann ◽  
Alberto Marmodoro ◽  
Eero Nurmi ◽  
Kalevi Kokko ◽  
Levente Vitos ◽  
...  
Keyword(s):  
First Principles ◽  
Short Range ◽  
Ordering Effects ◽  
Short Range Ordering ◽  
Elastic Anomalies

scholarly journals Chemical short-range order in derivative Cr–Ta–Ti–V–W high entropy alloys from the first-principles thermodynamic study

2020 ◽  
Vol 22 (41) ◽  
pp. 23929-23951
Author(s):  
Damian Sobieraj ◽  
Jan S. Wróbel ◽  
Tomasz Rygier ◽  
Krzysztof J. Kurzydłowski ◽  
Osman El Atwani ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Monte Carlo ◽  
First Principles ◽  
Short Range ◽  
Density Functional ◽  
Short Range Order ◽  
High Entropy Alloys ◽  
Functional Theory ◽  
High Entropy ◽  
Short Range Ordering

Density Functional Theory (DFT), Cluster Expansion and Monte Carlo simulations have been carried out to investigate the short-range ordering in high-entropy alloys in Cr–Ta–Ti–V–W system as a function of temperature and composition.

Emulation of short-range ordering within the Compound Energy Formalism: Application to the calcite-magnesite solid solution

Calphad ◽  
2019 ◽  
Vol 64 ◽  
pp. 115-125 ◽  
Author(s):  
Xin Liu ◽  
Victor L. Vinograd ◽  
Sergii Nichenko ◽  
Dmitrii A. Kulik ◽  
Xiancai Lu ◽  
...  
Keyword(s):  
Solid Solution ◽  
Short Range ◽  
Compound Energy Formalism ◽  
Short Range Ordering

Short-range-ordering in the Ba2+ ion distribution in Ba2+ β''-alumina at 295 K

1984 ◽  
Vol 40 (3) ◽  
pp. 208-213 ◽  
Author(s):  
J. O. Thomas ◽  
M. Aldén ◽  
G. J. McIntyre ◽  
G. C. Farrington
Keyword(s):  
Short Range ◽  
Ion Distribution ◽  
Short Range Ordering

scholarly journals Short range ordering in Fe–Ge and Fe–Ga single crystals

2009 ◽  
Vol 95 (17) ◽  
pp. 171907 ◽  
Author(s):  
Mianliang Huang ◽  
Thomas A. Lograsso
Keyword(s):  
Single Crystals ◽  
Short Range ◽  
Short Range Ordering
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