First-principles study of high-pressure structural stability and mechanical properties of Ni2B

Computational Materials Science ◽

10.1016/j.commatsci.2021.110465 ◽

2021 ◽

Vol 194 ◽

pp. 110465

Author(s):

Menglong Wang ◽

Jialing Xie ◽

Keying Xue ◽

Lingxia Li

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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The Structural Stability and Mechanical Properties of $$\hbox {Cu}_{2}\hbox {MnAl}$$ Cu 2 MnAl and $$\hbox {Cu}_{2}\hbox {MnIn}$$ Cu 2 MnIn Under Pressure: First-Principles Study

Journal of Electronic Materials ◽

10.1007/s11664-018-6163-3 ◽

2018 ◽

Vol 47 (5) ◽

pp. 3005-3017 ◽

Author(s):

Lili Liu ◽

Xianshi Zeng ◽

Qingdong Gou ◽

Yuanxiu Ye ◽

Yufeng Wen ◽

...

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles study of the alloying effects on the structural stability and mechanical properties of L12-Pt3Hf

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2021.161982 ◽

2021 ◽

pp. 161982

Author(s):

Xin Yao ◽

Yong Mao ◽

Ya-Fang Guo

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study ◽

Alloying Effects

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Structural stability, electronic structures, mechanical properties and debye temperature of W-Re alloys: A first-principles study

Fusion Engineering and Design ◽

10.1016/j.fusengdes.2020.112081 ◽

2021 ◽

Vol 162 ◽

pp. 112081

Author(s):

Diyou Jiang ◽

Wenbo Xiao ◽

Desheng Liu ◽

Sanqiu Liu

Keyword(s):

Mechanical Properties ◽

Debye Temperature ◽

Structural Stability ◽

First Principles ◽

Electronic Structures ◽

First Principles Study

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A first principles study of structural stability, electronic structure and mechanical properties of ABeH3 (A = Li, Na)

10.1063/1.4917995 ◽

2015 ◽

Author(s):

M. Santhosh ◽

R. Rajeswarapalanichamy ◽

G. Sudha Priyanga ◽

S. Kanagaprabha ◽

A. Murugan ◽

...

Keyword(s):

Mechanical Properties ◽

Electronic Structure ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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First-principles calculations of structural stability and mechanical properties of tungsten carbide under high pressure

Journal of Physics and Chemistry of Solids ◽

10.1016/j.jpcs.2014.06.011 ◽

2014 ◽

Vol 75 (11) ◽

pp. 1234-1239 ◽

Author(s):

Xinting Li ◽

Xinyu Zhang ◽

Jiaqian Qin ◽

Suhong Zhang ◽

Jinliang Ning ◽

...

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Tungsten Carbide ◽

Structural Stability ◽

First Principles ◽

First Principles Calculations

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A first-principles study on structural stability and mechanical properties of polar intermetallic phases CaZn2and SrZn2

The Philosophical Magazine A Journal of Theoretical Experimental and Applied Physics ◽

10.1080/14786435.2014.971903 ◽

2014 ◽

Vol 94 (34) ◽

pp. 3945-3959 ◽

Author(s):

Wen-Cheng Hu ◽

Yong Liu ◽

De-Jiang Li ◽

Ke Li ◽

Hua-Lan Jin ◽

...

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

Intermetallic Phases ◽

First Principles Study

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Structural stability, mechanical properties and stacking fault energies of TiAl3 alloyed with Zn, Cu, Ag: First-principles study

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2016.01.106 ◽

2016 ◽

Vol 666 ◽

pp. 185-196 ◽

Author(s):

Hai Hu ◽

Xiaozhi Wu ◽

Rui Wang ◽

Zhihong Jia ◽

Weiguo Li ◽

...

Keyword(s):

Mechanical Properties ◽

Structural Stability ◽

First Principles ◽

Stacking Fault ◽

First Principles Study ◽

Stacking Fault Energies

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First-principles study of structural stability and elastic properties of the ordered Si0.5Ge0.5 alloy under high pressure

physica status solidi (b) ◽

10.1002/pssb.201000745 ◽

2011 ◽

Vol 248 (5) ◽

pp. 1135-1138 ◽

Author(s):

Aimin Hao ◽

Lixin Zhang ◽

Zhongming Gao ◽

Yan Zhu ◽

Liu Riping

Keyword(s):

High Pressure ◽

Elastic Properties ◽

Structural Stability ◽

First Principles ◽

First Principles Study

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Structural and mechanical properties of dolomite rock under high pressure conditions: A first-principles study

physica status solidi (b) ◽

10.1002/pssb.201046465 ◽

2011 ◽

Vol 248 (8) ◽

pp. 1894-1900 ◽

Author(s):

Z. Bakri ◽

A. Zaoui

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

First Principles ◽

First Principles Study ◽

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First-principles study of the structure, mechanical properties, and phase stability of crystalline zirconia under high pressure

Structural Chemistry ◽

10.1007/s11224-011-9903-z ◽

2011 ◽

Vol 23 (3) ◽

pp. 601-611 ◽

Author(s):

Weihua Zhu ◽

Rongshan Wang ◽

Guogang Shu ◽

Ping Wu ◽

Heming Xiao

Keyword(s):

Mechanical Properties ◽

High Pressure ◽

Phase Stability ◽

First Principles ◽

First Principles Study

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