Rapid screening of alloy elements to improve the elastic properties of dilute Pt-based alloys: High-throughput first-principles calculations and modeling

Yunxuan Zhou; Wei Yu; Xiaoyu Chong; Yan Wei; Changyi Hu; Aimin Zhang; Jing Feng

doi:10.1063/5.0029019

Rapid screening of alloy elements to improve the elastic properties of dilute Pt-based alloys: High-throughput first-principles calculations and modeling

Journal of Applied Physics ◽

10.1063/5.0029019 ◽

2020 ◽

Vol 128 (23) ◽

pp. 235103

Author(s):

Yunxuan Zhou ◽

Wei Yu ◽

Xiaoyu Chong ◽

Yan Wei ◽

Changyi Hu ◽

...

Keyword(s):

Elastic Properties ◽

High Throughput ◽

First Principles ◽

Rapid Screening ◽

First Principles Calculations

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The effects of combining alloying elements on the elastic properties of γ -Ni in Ni-based superalloy: High-throughput first-principles calculations

Chinese Physics B ◽

10.1088/1674-1056/27/7/077104 ◽

2018 ◽

Vol 27 (7) ◽

pp. 077104 ◽

Cited By ~ 1

Author(s):

Baokun Lu ◽

Chongyu Wang

Keyword(s):

Elastic Properties ◽

High Throughput ◽

First Principles ◽

Alloying Elements ◽

First Principles Calculations

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FIRST--PRINCIPLES CALCULATIONS OF STRUCTURAL STABILITIES AND ELASTIC PROPERTIES OF AB2 TYPE INTERMETALLICS IN ZA62 MAGNESIUM ALLOY

ACTA METALLURGICA SINICA ◽

10.3724/sp.j.1037.2009.00436 ◽

2010 ◽

Vol 2010 (1) ◽

pp. 97-103 ◽

Cited By ~ 8

Author(s):

Dianwu ZHOU ◽

Shaohua XU ◽

Fuquan ZHANG ◽

Ping PENG ◽

Jinshui LIU

Keyword(s):

Magnesium Alloy ◽

Elastic Properties ◽

First Principles ◽

First Principles Calculations

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Influence of vacancy on the elastic properties, ductility and electronic properties of hexagonal C40 MoSi2 from first-principles calculations

Vacuum ◽

10.1016/j.vacuum.2020.109438 ◽

2020 ◽

Vol 179 ◽

pp. 109438 ◽

Cited By ~ 8

Author(s):

Yong Pan ◽

Jie Wang ◽

Dajun Wang ◽

Hong Deng

Keyword(s):

Electronic Properties ◽

Elastic Properties ◽

First Principles ◽

First Principles Calculations

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First-principles calculations to investigate structural, magnetic, electronic and elastic properties of full-Heusler alloys Co2MB (M=V, Mn)

Solid State Communications ◽

10.1016/j.ssc.2021.114426 ◽

2021 ◽

pp. 114426

Author(s):

A. Cheriet ◽

S. Khenchoul ◽

L. Aissani ◽

B. Lagoun ◽

M. Zaabat ◽

...

Keyword(s):

Elastic Properties ◽

First Principles ◽

Heusler Alloys ◽

First Principles Calculations ◽

Full Heusler ◽

Full Heusler Alloys

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New Pt-based Superalloy System Designed from First Principles

MRS Proceedings ◽

10.1557/proc-1128-u05-28 ◽

2008 ◽

Vol 1128 ◽

Author(s):

Vsevolod I. Razumovskiy ◽

Eyvaz I. Isaev ◽

Andrei V. Ruban ◽

Pavel A. Korzhavyi

Keyword(s):

Elastic Properties ◽

First Principles ◽

Defect Formation ◽

Alloy System ◽

First Principles Calculations ◽

Phonon Spectra ◽

Ultrahigh Temperature ◽

New Generation ◽

Formation Energies ◽

Temperature Applications

AbstractPt-Sc alloys with the γ-γ′ microstructure are proposed as a basis for a new generation of Pt-based superalloys for ultrahigh-temperature applications. This alloy system was identified on the basis of first-principles calculations. Here we discuss the prospects of the Pt-Sc alloy system on the basis of calculated elastic properties, phonon spectra, and defect formation energies.

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A Study of the Electronic Structure and Elastic Properties for m-ZrO2 and -Bi2O3 Based on First-Principles Calculations under Ambient Pressure

Proceedings of the 7th International Conference on Education, Management, Information and Mechanical Engineering (EMIM 2017) ◽

10.2991/emim-17.2017.206 ◽

2017 ◽

Author(s):

Yue Wang ◽

Xue Li ◽

Chunjie Wang

Keyword(s):

Electronic Structure ◽

Elastic Properties ◽

First Principles ◽

Ambient Pressure ◽

First Principles Calculations

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Elastic properties of Ni2MnGa from first-principles calculations

Journal of Alloys and Compounds ◽

10.1016/j.jallcom.2010.08.039 ◽

2010 ◽

Vol 508 (1) ◽

pp. 177-183 ◽

Cited By ~ 66

Author(s):

S. Ozdemir Kart ◽

T. Cagın

Keyword(s):

Elastic Properties ◽

First Principles ◽

First Principles Calculations

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Effect of pressure on structural and elastic properties of SnSe: First-principles calculations

Solid State Communications ◽

10.1016/j.ssc.2021.114596 ◽

2021 ◽

pp. 114596

Author(s):

Kanoknan Phacheerak ◽

Pitiporn Thanomngam ◽

Sukit Limpijumnong

Keyword(s):

Elastic Properties ◽

First Principles ◽

First Principles Calculations ◽

Effect Of Pressure

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Structural, electronic, mechanical and elastic properties of Scandium Chalcogenides by first-principles calculations

Phase Transitions ◽

10.1080/01411594.2020.1780232 ◽

2020 ◽

Vol 93 (8) ◽

pp. 773-783

Author(s):

Mohammed Abu-Jafar ◽

Rowan Dayton-Oxland ◽

Raed Jaradat ◽

Ahmad A. Mousa ◽

Rabah Khenata

Keyword(s):

Elastic Properties ◽

First Principles ◽

First Principles Calculations

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Discovery of ABO3 perovskites as thermal barrier coatings through high-throughput first principles calculations

Materials Research Letters ◽

10.1080/21663831.2019.1566183 ◽

2019 ◽

Vol 7 (4) ◽

pp. 145-151 ◽

Cited By ~ 17

Author(s):

Yuchen Liu ◽

Valentino R. Cooper ◽

Banghui Wang ◽

Huimin Xiang ◽

Qian Li ◽

...

Keyword(s):

Thermal Barrier Coatings ◽

High Throughput ◽

First Principles ◽

Thermal Barrier ◽

First Principles Calculations ◽

Barrier Coatings

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