Micromechanism in fracture toughness of NbCr2 laves phase improved by nickel alloying: first-principles calculation

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2020.158040 ◽

2021 ◽

Vol 857 ◽

pp. 158040

Author(s):

Haitang Huang ◽

Guifa Li ◽

Xuan Xiao ◽

Shiqiang Lu ◽

Ping Peng

Keyword(s):

Fracture Toughness ◽

First Principles ◽

Laves Phase ◽

First Principles Calculation

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Mechanical, electronic and thermodynamic properties of Mg2Ca Laves phase under high pressure: A first-principles calculation

Computational Materials Science ◽

10.1016/j.commatsci.2014.03.006 ◽

2014 ◽

Vol 88 ◽

pp. 61-70 ◽

Author(s):

Pingli Mao ◽

Bo Yu ◽

Zheng Liu ◽

Feng Wang ◽

Yang Ju

Keyword(s):

High Pressure ◽

Thermodynamic Properties ◽

First Principles ◽

Laves Phase ◽

First Principles Calculation

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Predicting an alloying strategy for improving fracture toughness of C15 NbCr2 Laves phase: A first-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2016.06.009 ◽

2016 ◽

Vol 123 ◽

pp. 59-64 ◽

Author(s):

Qianxin Long ◽

Jianchuan Wang ◽

Yong Du ◽

David Holec ◽

Xiaowu Nie ◽

...

Keyword(s):

Fracture Toughness ◽

First Principles ◽

Laves Phase ◽

First Principles Study

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First-principles calculation of interfacial stability, energy, electronic properties, ideal tensile strength and fracture toughness of SiC/BN interface

Applied Physics A ◽

10.1007/s00339-021-04289-z ◽

2021 ◽

Vol 127 (2) ◽

Author(s):

Jie Lu ◽

Kang Guan ◽

Pinggen Rao ◽

Qingfeng Zeng ◽

Jiantao Liu ◽

...

Keyword(s):

Fracture Toughness ◽

Tensile Strength ◽

Electronic Properties ◽

First Principles ◽

First Principles Calculation ◽

Interfacial Stability ◽

Stability Energy

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First-principles calculation of the adhesion work, fracture toughness and tensile behavior of the Fe/MCs (M = Nb and Ta) interfaces by two different optimization methods

Chemical Physics ◽

10.1016/j.chemphys.2021.111193 ◽

2021 ◽

Vol 547 ◽

pp. 111193

Author(s):

Lu Chen ◽

Yefei Li ◽

Zilong Zhao ◽

Qiaoling Zheng ◽

Dawei Yi ◽

...

Keyword(s):

Fracture Toughness ◽

First Principles ◽

Optimization Methods ◽

Tensile Behavior ◽

First Principles Calculation ◽

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FIRST PRINCIPLES CALCULATION OF THE PHONON SPECTRA OF SOLIDS

Le Journal de Physique Colloques ◽

10.1051/jphyscol:19816181 ◽

1981 ◽

Vol 42 (C6) ◽

pp. C6-625-C6-627 ◽

Author(s):

P. E. Van Camp ◽

V. E. Van Doren ◽

J. T. Devreese

Keyword(s):

First Principles ◽

First Principles Calculation ◽

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First-Principles Calculation of a Chloride Susceptibility Index as a Scientific Descriptor for Repassivation Property of Corrosion Resistant Alloys

SSRN Electronic Journal ◽

10.2139/ssrn.3581344 ◽

2020 ◽

Author(s):

Huibin Ke ◽

Tianshu Li ◽

Pin Lu ◽

Gerald S. Frankel ◽

Christopher D. Taylor

Keyword(s):

First Principles ◽

First Principles Calculation ◽

Corrosion Resistant ◽

Susceptibility Index

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A FIRST-PRINCIPLES CALCULATION OF THE MAGNETIC MOMENT AND ELECTRONIC STRUCTURE FOR SELECTED HALF-HEUSLER ALLOYS

Modern Trends in Physics Research ◽

10.1142/9789814317511_0005 ◽

2011 ◽

Author(s):

SAMY H. ALY ◽

RIHAM SHAPARA ◽

SHERIF YEHIA

Keyword(s):

Electronic Structure ◽

Magnetic Moment ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculation

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First-principles calculation of the structural, electronic and optical properties of GaSe_(1-x) S_(x) (x = 0, 0.25, 0.5 and 1) compounds

Advances in Materials and Processing Technologies ◽

10.1080/2374068x.2021.1939991 ◽

2021 ◽

pp. 1-13

Author(s):

Mohamed Al-Hattab ◽

L’Houcine Moudou ◽

younes Chrafih ◽

Khalid Rahmani ◽

Mohammed Khenfouch ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

First Principles Calculation ◽

Electronic And Optical Properties

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First-principles calculation of electronic, vibrational, and thermodynamic properties of triaminoguanidinium nitrate

Journal of Molecular Modeling ◽

10.1007/s00894-021-04803-3 ◽

2021 ◽

Vol 27 (6) ◽

Author(s):

Wen-Guang Li ◽

Yun-Dan Gan ◽

Zhi-Xin Bai ◽

Ming-Jian Zhang ◽

Fu-Sheng Liu ◽

...

Keyword(s):

Thermodynamic Properties ◽

First Principles ◽

First Principles Calculation

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First principles calculation of resistive random access memory based on multi-layer 2H phase molybdenum disulfide resistive layer

2021 4th International Conference on Electron Device and Mechanical Engineering (ICEDME) ◽

10.1109/icedme52809.2021.00013 ◽

2021 ◽

Author(s):

Renjie Ding ◽

Yuehua Dai ◽

Jianhua Gao ◽

Lihua Huang ◽

Peng Wang

Keyword(s):

Molybdenum Disulfide ◽

First Principles ◽

Random Access ◽

Random Access Memory ◽

Resistive Random Access Memory ◽

First Principles Calculation ◽

Access Memory ◽

Resistive Layer

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