First-principles Study on the Stability of Vacancy Formation in a Mg-Zn-Y Alloy with Long-period Stacking Ordered Structure

Mapping Intimacies ◽

10.26226/morressier.60993d930d0b548838eef4ff ◽

2021 ◽

Author(s):

Takao Tsumuruaya

Keyword(s):

First Principles ◽

Vacancy Formation ◽

Ordered Structure ◽

Long Period ◽

First Principles Study ◽

Download Full-text

Elastic properties of magnesium with virtual long-period stacking-ordered structure: First-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2015.08.018 ◽

2015 ◽

Vol 110 ◽

pp. 191-197 ◽

Author(s):

Weiwei Xu ◽

Xiaozhi Wu ◽

Rui Wang ◽

Weiguo Li ◽

Qing Liu

Keyword(s):

Elastic Properties ◽

First Principles ◽

Ordered Structure ◽

Long Period ◽

First Principles Study

Download Full-text

First Principles Study of the Stability and Thermal Conductivity of Novel Li-Be Hybrid Ceramics

Acta Materialia ◽

10.1016/j.actamat.2021.117052 ◽

2021 ◽

pp. 117052

Author(s):

G.D. Samolyuk ◽

P.D. Edmondson

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

First Principles Study ◽

Download Full-text

The transformation pathways for vitual long period stacking-ordered Mg: First-principles study

Computational Materials Science ◽

10.1016/j.commatsci.2015.12.003 ◽

2016 ◽

Vol 114 ◽

pp. 1-12 ◽

Author(s):

Fuhui Li ◽

Xiaozhi Wu ◽

Rui Wang ◽

Weiguo Li ◽

Qing Liu

Keyword(s):

First Principles ◽

Long Period ◽

First Principles Study ◽

Transformation Pathways

Download Full-text

The microstructure, stability, and elastic properties of 14H long-period stacking-ordered phase in Mg–Zn–Y alloys: a first-principles study

Journal of Materials Science ◽

10.1007/s10853-013-7755-1 ◽

2013 ◽

Vol 49 (2) ◽

pp. 737-748 ◽

Author(s):

Shang-Yi Ma ◽

Li-Min Liu ◽

Shao-Qing Wang

Keyword(s):

Elastic Properties ◽

First Principles ◽

Long Period ◽

First Principles Study ◽

Microstructure Stability

Download Full-text

First-principles study of the stability, mechanical, electronic and optical properties of Cd0.75Hg0.25Se

Chemical Physics ◽

10.1016/j.chemphys.2021.111164 ◽

2021 ◽

pp. 111164

Author(s):

Diwen Liu ◽

Xueyou Wang ◽

Yanjie Zhang ◽

Rongjian Sa

Keyword(s):

Optical Properties ◽

First Principles ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Download Full-text

First-Principles Study of Superabundant Vacancy Formation in Metal Hydrides

Journal of the American Chemical Society ◽

10.1021/ja050475w ◽

2005 ◽

Vol 127 (27) ◽

pp. 9808-9817 ◽

Author(s):

Changjun Zhang ◽

Ali Alavi

Keyword(s):

First Principles ◽

Metal Hydrides ◽

Vacancy Formation ◽

First Principles Study

Download Full-text

First-principles study of the stability of the icosahedralTi13,Ti13−1,andTi13+1clusters

Physical Review B ◽

10.1103/physrevb.65.165424 ◽

2002 ◽

Vol 65 (16) ◽

Author(s):

Shan-Ying Wang ◽

Wenhui Duan ◽

Dong-Liang Zhao ◽

Chong-Yu Wang

Keyword(s):

First Principles ◽

First Principles Study ◽

Download Full-text

First-Principles Study on the Stability and STM Image of Borophene

Nanoscale Research Letters ◽

10.1186/s11671-017-2282-7 ◽

2017 ◽

Vol 12 (1) ◽

Author(s):

Zhifen Luo ◽

Xiaoli Fan ◽

Yurong An

Keyword(s):

First Principles ◽

First Principles Study ◽

Stm Image ◽

Download Full-text

First-principles study of the stability of atomic Ag lines epitaxial to self-assembled Bi nanolines

Journal of Physics Condensed Matter ◽

10.1088/0953-8984/19/26/266213 ◽

2007 ◽

Vol 19 (26) ◽

pp. 266213 ◽

Author(s):

H Koga ◽

T Ohno

Keyword(s):

First Principles ◽

First Principles Study ◽

Self Assembled ◽

Download Full-text

First-principles study of long-period stacking ordered-like multi-stacking fault structures in pure magnesium

Scripta Materialia ◽

10.1016/j.scriptamat.2011.01.039 ◽

2011 ◽

Vol 64 (10) ◽

pp. 942-945 ◽

Author(s):

Tou-Wen Fan ◽

Bi-Yu Tang ◽

Li-Ming Peng ◽

Wen-Jiang Ding

Keyword(s):

First Principles ◽

Stacking Fault ◽

Pure Magnesium ◽

Long Period ◽

First Principles Study ◽

Fault Structures

Download Full-text