Effect of hydrogen atom and hydrogen filled vacancies on stacking fault energy in γ-Fe by first-principles calculations

International Journal of Hydrogen Energy ◽

10.1016/j.ijhydene.2019.04.229 ◽

2019 ◽

Vol 44 (31) ◽

pp. 17136-17145 ◽

Author(s):

Yang He ◽

Yaojun Li ◽

Xiong Zhao ◽

Haobo Yu ◽

Changfeng Chen

Keyword(s):

Hydrogen Atom ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations

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Predicting the variation of stacking fault energy for binary Cu alloys by first-principles calculations

Journal of Material Science and Technology ◽

10.1016/j.jmst.2020.04.027 ◽

2020 ◽

Vol 53 ◽

pp. 61-65 ◽

Author(s):

T. Cai ◽

K.Q. Li ◽

Z.J. Zhang ◽

P. Zhang ◽

R. Liu ◽

...

Keyword(s):

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

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First-principles calculations on the stacking fault energy, surface energy and dislocation properties of NbCr2 and HfCr2

Computational Materials Science ◽

10.1016/j.commatsci.2017.08.030 ◽

2017 ◽

Vol 140 ◽

pp. 334-343 ◽

Author(s):

Lili Liu ◽

Ping Shen ◽

Xiaozhi Wu ◽

Rui Wang ◽

Weiguo Li ◽

...

Keyword(s):

Surface Energy ◽

First Principles ◽

Energy Surface ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations

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Correlation analysis of materials properties by machine learning: Illustrated with stacking fault energy from first-principles calculations in dilute fcc-based alloys

Journal of Physics Condensed Matter ◽

10.1088/1361-648x/ac0195 ◽

2021 ◽

Author(s):

Xiaoyu Chong ◽

Shunli Shang ◽

Adam M Krajewski ◽

John Shimanek ◽

Weihang Du ◽

...

Keyword(s):

Machine Learning ◽

Correlation Analysis ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Materials Properties

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Dislocation Properties and Peierls Stress of BCC Iron Based on Generalized-Stacking-Fault Energy Surface by Using First Principles Calculations

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.73.595 ◽

2009 ◽

Vol 73 (8) ◽

pp. 595-600 ◽

Author(s):

Hideki Mori ◽

Hajime Kimizuka ◽

Shigenobu Ogata

Keyword(s):

First Principles ◽

Energy Surface ◽

Stacking Fault ◽

Stacking Fault Energy ◽

Peierls Stress ◽

First Principles Calculations ◽

Bcc Iron ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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Integrating computational modeling and first-principles calculations to predict stacking fault energy of dilute multicomponent Ni-base alloys

Computational Materials Science ◽

10.1016/j.commatsci.2014.04.040 ◽

2014 ◽

Vol 91 ◽

pp. 50-55 ◽

Author(s):

ShunLi Shang ◽

Yi Wang ◽

Yong Du ◽

Mark A. Tschopp ◽

Zi-Kui Liu

Keyword(s):

Computational Modeling ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations

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Atomic structure, electronic properties and generalized stacking fault energy of diamond/c-BN multilayer

RSC Advances ◽

10.1039/c7ra04821a ◽

2017 ◽

Vol 7 (47) ◽

pp. 29599-29605 ◽

Author(s):

Zijun Lin ◽

Xianghe Peng ◽

Cheng Huang ◽

Tao Fu ◽

Zhongchang Wang

Keyword(s):

Electronic Properties ◽

Atomic Structure ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Atomic Structures ◽

Generalized Stacking Fault ◽

Stacking Fault Energies ◽

Generalized Stacking Fault Energy

The atomic structures, electronic properties and generalized stacking fault energies of the diamond/c-BN multilayer are investigated systematically with first-principles calculations.

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Electronic structure and generalized stacking fault energy of CuZr-X (X=Al, Fe, Ni and Zn) intermetallic compounds by first-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2019.113736 ◽

2019 ◽

Vol 303-304 ◽

pp. 113736 ◽

Author(s):

C. He ◽

M. Zhang ◽

W.X. Zhang

Keyword(s):

Electronic Structure ◽

Intermetallic Compounds ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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Influence of C, H, N, and O interstitial atoms on deformation mechanism in titanium—First principles calculations of generalized stacking fault energy

Materials Letters ◽

10.1016/j.matlet.2012.12.002 ◽

2013 ◽

Vol 94 ◽

pp. 92-94 ◽

Author(s):

P. Kwasniak ◽

M. Muzyk ◽

H. Garbacz ◽

K.J. Kurzydlowski

Keyword(s):

Deformation Mechanism ◽

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Interstitial Atoms ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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First-principles calculations of second-order elastic constants and generalized-stacking-fault energy for GaAs

Proceedings of the 2016 International Conference on Mechanics, Materials and Structural Engineering ◽

10.2991/icmmse-16.2016.10 ◽

2016 ◽

Author(s):

Yunchang Fu ◽

Huili Zhang ◽

Chun Zhang ◽

Chunhua Zeng

Keyword(s):

Elastic Constants ◽

First Principles ◽

Stacking Fault ◽

Second Order ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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First-principles calculations of generalized-stacking-fault-energy of Co-based alloys

Computational Materials Science ◽

10.1016/j.commatsci.2016.04.031 ◽

2016 ◽

Vol 121 ◽

pp. 86-96 ◽

Author(s):

Tria Laksana Achmad ◽

Wenxiang Fu ◽

Hao Chen ◽

Chi Zhang ◽

Zhi-Gang Yang

Keyword(s):

First Principles ◽

Stacking Fault ◽

Stacking Fault Energy ◽

First Principles Calculations ◽

Generalized Stacking Fault ◽

Generalized Stacking Fault Energy

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