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5 articles related to "Interatomic Potential"

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Articles

Original Research

Published on 19 Jul 2023

The reconciliation and validation of a combined interatomic potential for the description of Xe in γU-Mo

in Nuclear Materials

Benjamin Beeler
Yongfeng Zhang

Frontiers in Nuclear Engineering

doi 10.3389/fnuen.2023.1185448

1,437 views
3 citations

Original Research

Published on 16 Aug 2023

Reactive molecular dynamics simulation on the disintegration of Kapton and Upilex-S during atomic oxygen impact

in Semiconducting Materials and Devices

Shiying Qiao
Lixiang Jiang
Haifu Jiang
Yuming Liu
Yanlin Xu
Zilong Jiao
Naiyuan Cui
Lu Wang

Frontiers in Materials

doi 10.3389/fmats.2023.1234455

3,040 views
11 citations

Original Research

Published on 26 Nov 2020

Crystal Structure Prediction of Binary Alloys via Deep Potential

in Theoretical and Computational Chemistry

Haidi Wang
Yuzhi Zhang
Linfeng Zhang
Han Wang

Frontiers in Chemistry

doi 10.3389/fchem.2020.589795

9,009 views
34 citations

Original Research

Published on 29 Oct 2021

Modified Embedded-Atom Interatomic Potential Parameters of the Ti–Cr Binary and Ti–Cr–N Ternary Systems

in Theoretical and Computational Chemistry

Shoubing Ding
Yue Li
Yiying Luo
Zhimin Wu
Xinqiang Wang

Frontiers in Chemistry

doi 10.3389/fchem.2021.773015

5,171 views
5 citations

Original Research

Published on 18 Nov 2022

Atomistic simulations of dislocation plasticity in concentrated VCoNi medium entropy alloys: Effects of lattice distortion and short range order

in Mechanics of Materials

Amin Esfandiarpour
Rene Alvarez-Donado
Stefanos Papanikolaou
Mikko Alava

Frontiers in Materials

doi 10.3389/fmats.2022.1046291

5,844 views
14 citations