First-Principles Study of the Effect of Al and Hf Impurities on Co <sub>3</sub>W Antiphase Boundary Energies

Effects of Alloying Atoms on Antiphase Boundary Energy and Yield Stress Anomaly of L12 Intermetallics: First-Principles Study

Crystals ◽

10.3390/cryst8020096 ◽

2018 ◽

Vol 8 (2) ◽

pp. 96 ◽

Cited By ~ 6

Author(s):

Xiaojun Gao ◽

Jianwei Wang ◽

Xiaozhi Wu ◽

Rui Wang ◽

Zhihong Jia

Keyword(s):

Yield Stress ◽

First Principles ◽

Boundary Energy ◽

Antiphase Boundary ◽

First Principles Study

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First-principles study on Ni3Al (111) antiphase boundary with Ti and Hf impurities

Physical Review B ◽

10.1103/physrevb.95.214121 ◽

2017 ◽

Vol 95 (21) ◽

Cited By ~ 3

Author(s):

Ruoshi Sun ◽

Christopher Woodward ◽

Axel van de Walle

Keyword(s):

First Principles ◽

Antiphase Boundary ◽

First Principles Study

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The concentration and temperature dependences of antiphase-boundary energies in gamma -TiAl: A first-principles study

Philosophical Magazine Letters ◽

10.1080/095008397178931 ◽

1997 ◽

Vol 76 (5) ◽

pp. 331-340 ◽

Cited By ~ 13

Author(s):

Mark Asta ◽

Andrew A. Quong

Keyword(s):

First Principles ◽

Antiphase Boundary ◽

First Principles Study ◽

Temperature Dependences

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First-principles study of the effect of Al and Hf impurities on Co3W antiphase boundary energies

Acta Materialia ◽

10.1016/j.actamat.2021.117075 ◽

2021 ◽

pp. 117075

Author(s):

Chiraag Nataraj ◽

Ruoshi Sun ◽

Christopher Woodward ◽

Axel van de Walle

Keyword(s):

First Principles ◽

Antiphase Boundary ◽

First Principles Study

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Effects of substitutional impurity Au and Si atoms on antiphase boundary energies in Ti3Al: A first principles study

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

10.1080/14786435.2010.502143 ◽

2010 ◽

Vol 90 (29) ◽

pp. 3919-3934 ◽

Cited By ~ 3

Author(s):

Yuichiro Koizumi ◽

Masataka Mizuno ◽

Atsushi Sugihara ◽

Yoritoshi Minamino ◽

Yasuharu Shirai

Keyword(s):

First Principles ◽

Antiphase Boundary ◽

Substitutional Impurity ◽

First Principles Study

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FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782012006x ◽

2020 ◽

Vol 111 (11-12(6)) ◽

pp. 819-819

Author(s):

S. BENATMANE ◽

S. CHERID

Keyword(s):

First Principles ◽

Heusler Alloys ◽

Half Metallic ◽

First Principles Study ◽

Quaternary Heusler Alloys

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INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

Письма в Журнал экспериментальной и теоретической физики ◽

10.31857/s123456782017005x ◽

2020 ◽

Vol 112 (5-6(9)) ◽

pp. 312-312

Author(s):

A. ZITOUNI ◽

G. REMIL ◽

B. BOUADJEMI ◽

W. BENSTAALI ◽

T. LANTRI ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Study ◽

Full Heusler ◽

Full Heusler Alloys ◽

Insight Into

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First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Shape Memory Alloys ◽

10.21741/9781644900017-22 ◽

2018 ◽

Keyword(s):

Martensitic Transformation ◽

First Principles ◽

First Principles Study ◽

Effect Of Disorder

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Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Physical Chemistry Chemical Physics ◽

10.1039/d0cp03690k ◽

2020 ◽

Vol 22 (36) ◽

pp. 20914-20921 ◽

Cited By ~ 1

Author(s):

Rajmohan Muthaiah ◽

Jivtesh Garg

Keyword(s):

Thermal Conductivity ◽

First Principles ◽

High Thermal Conductivity ◽

Biaxial Strain ◽

Length Scales ◽

First Principles Study ◽

Boron Phosphide

We report novel pathways to significantly enhance the thermal conductivity at nanometer length scales in boron phosphide through biaxial strain.

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Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

Nanotechnology ◽

10.1088/1361-6528/ab978b ◽

2020 ◽

Vol 31 (37) ◽

pp. 375706 ◽

Cited By ~ 1

Author(s):

Fei Yang ◽

Junnan Han ◽

Le Zhang ◽

Xianhong Tang ◽

Zhenguo Zhuo ◽

...

Keyword(s):

Optical Properties ◽

First Principles ◽

Van Der Waals ◽

Electronic And Optical Properties ◽

First Principles Study ◽

Van Der Waals Heterostructure ◽

External Strain

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First-Principles Study of the Effect of Al and Hf Impurities on Co 3W Antiphase Boundary Energies

Effects of Alloying Atoms on Antiphase Boundary Energy and Yield Stress Anomaly of L12 Intermetallics: First-Principles Study

First-principles study on Ni3Al (111) antiphase boundary with Ti and Hf impurities

The concentration and temperature dependences of antiphase-boundary energies in gamma -TiAl: A first-principles study

First-principles study of the effect of Al and Hf impurities on Co3W antiphase boundary energies

Effects of substitutional impurity Au and Si atoms on antiphase boundary energies in Ti3Al: A first principles study

FIRST-PRINCIPLES STUDY OF MAGNETISM AND HALF-METALLIC PROPERTIES OF THE D0 QUATERNARY HEUSLER ALLOYS BANYO (Y = K, RB AND CS)

INSIGHT INTO STRUCTURAL, ELECTRONIC, MAGNETIC AND ELASTIC PROPERTIES OF FULL-HEUSLER ALLOYS CO2YPB (Y = TI, V, FE AND MO): A ﬁRST-PRINCIPLES STUDY

First-Principles Study of Mn-rich Ni-Mn-Ga Alloys: Effect of Disorder on Martensitic Transformation

Strain tuned high thermal conductivity in boron phosphide at nanometer length scales – a first-principles study

Adjustable electronic and optical properties of BlueP/MoS2 van der Waals heterostructure by external strain: a first-principles study

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