First-Principles Study of the Stability and Interfacial Bonding of Tilt and Twist Grain Boundaries in Al and Cu

Journal of the Japan Institute of Metals and Materials ◽

10.2320/jinstmet.73.559 ◽

2009 ◽

Vol 73 (8) ◽

pp. 559-565

Author(s):

Ru-Zhi Wang ◽

Masanori Kohyama ◽

Shingo Tanaka ◽

Tomoyuki Tamura ◽

Shoji Ishibashi

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Interfacial Bonding ◽

First Principles Study ◽

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First-Principles Study of the Stability and Interfacial Bonding of Tilt and Twist Grain Boundaries in Al and Cu

MATERIALS TRANSACTIONS ◽

10.2320/matertrans.md200820 ◽

2009 ◽

Vol 50 (1) ◽

pp. 11-18 ◽

Author(s):

Ru-Zhi Wang ◽

Masanori Kohyama ◽

Shingo Tanaka ◽

Tomoyuki Tamura ◽

Shoji Ishibashi

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Interfacial Bonding ◽

First Principles Study ◽

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Vacancy-mediated effects for simultaneously enhancing the Cu/graphene/Al interfacial bonding strength and thermal conductance: a first-principles study

Journal of Materials Science ◽

10.1007/s10853-020-05624-0 ◽

2021 ◽

Vol 56 (9) ◽

pp. 5697-5707

Author(s):

Pei Liu ◽

Jingpei Xie ◽

Ruiyao Hei ◽

Aiqin Wang ◽

Douqin Ma ◽

...

Keyword(s):

First Principles ◽

Bonding Strength ◽

Thermal Conductance ◽

Interfacial Bonding ◽

First Principles Study ◽

Mediated Effects ◽

Interfacial Bonding Strength

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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 ◽

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Thermodynamic evidence of α-Al heterogeneous nucleation on Al2MgC2 and the interfacial bonding mechanism: A first-principles study

Journal of Solid State Chemistry ◽

10.1016/j.jssc.2020.121431 ◽

2020 ◽

Vol 288 ◽

pp. 121431

Author(s):

Jian Li ◽

Youming Cui ◽

Ming Zhang ◽

Junyu Zhao ◽

Xian Luo

Keyword(s):

Heterogeneous Nucleation ◽

First Principles ◽

Interfacial Bonding ◽

Bonding Mechanism ◽

First Principles Study

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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 ◽

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First-Principles Study of Substitutional Impurity Segregation in Zirconia, Hafnia, and Yttria-Stabilized-Zirconia Grain Boundaries

2018 Joint Propulsion Conference ◽

10.2514/6.2018-4830 ◽

2018 ◽

Author(s):

Maziar Behtash ◽

Jian Luo ◽

Kesong Yang

Keyword(s):

Grain Boundaries ◽

First Principles ◽

Yttria Stabilized Zirconia ◽

Stabilized Zirconia ◽

Substitutional Impurity ◽

First Principles Study ◽

Impurity Segregation

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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 ◽

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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 ◽

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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 ◽

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First-principles study on the stability and work function of low-index surfaces of TiB2

Computational Materials Science ◽

10.1016/j.commatsci.2019.109356 ◽

2020 ◽

Vol 172 ◽

pp. 109356 ◽

Author(s):

Qian Wang ◽

Changzhi Liu ◽

Ruijuan Yao ◽

Hong Zhu ◽

Xiaomin Liu ◽

...

Keyword(s):

Work Function ◽

First Principles ◽

First Principles Study ◽

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