Strength of the repulsive part of the interatomic potential determines fragility in metallic liquids

Christopher E. Pueblo; Minhua Sun; K. F. Kelton

doi:10.1038/nmat4935

Strength of the repulsive part of the interatomic potential determines fragility in metallic liquids

Nature Materials ◽

10.1038/nmat4935 ◽

2017 ◽

Vol 16 (8) ◽

pp. 792-796 ◽

Cited By ~ 15

Author(s):

Christopher E. Pueblo ◽

Minhua Sun ◽

K. F. Kelton

Keyword(s):

Interatomic Potential ◽

Metallic Liquids ◽

Repulsive Part

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The repulsive part of the effective interatomic potential for liquid metals

Chemical Physics ◽

10.1016/0301-0104(75)85009-9 ◽

1975 ◽

Vol 10 (1) ◽

pp. 73-85 ◽

Cited By ~ 78

Author(s):

Russell E. Jacobs ◽

Hans C. Andersen

Keyword(s):

Interatomic Potential ◽

Liquid Metals ◽

Repulsive Part

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Improvement of the repulsive part of the classical interatomic potential for SiC

Nuclear Instruments and Methods in Physics Research Section B Beam Interactions with Materials and Atoms ◽

10.1016/s0168-583x(02)01825-6 ◽

2003 ◽

Vol 202 ◽

pp. 18-23 ◽

Cited By ~ 15

Author(s):

V. Belko ◽

M. Posselt ◽

E. Chagarov

Keyword(s):

Interatomic Potential ◽

Repulsive Part

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Improved empirical interatomic potential for C-Si-H systems

Molecular Physics ◽

10.1080/002689799164432 ◽

1999 ◽

Vol 96 (10) ◽

pp. 1491-1507 ◽

Cited By ~ 7

Author(s):

A. J. DYSON, P. V. SMITH

Keyword(s):

Interatomic Potential

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Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics

Journal of Applied Physics ◽

10.1063/5.0046823 ◽

2021 ◽

Vol 129 (15) ◽

pp. 155105

Author(s):

Fernan Saiz ◽

Yenal Karaaslan ◽

Riccardo Rurali ◽

Cem Sevik

Keyword(s):

Thermal Conductivity ◽

Molecular Dynamics ◽

Interatomic Potential

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A highly accurate interatomic potential for LaMnO3 perovskites with temperature-dependence of structure and thermal properties

Computational Materials Science ◽

10.1016/j.commatsci.2021.110406 ◽

2021 ◽

Vol 193 ◽

pp. 110406

Author(s):

Xin-Yu Qu ◽

Xiao-Fan Gou ◽

Tian-Ge Wang

Keyword(s):

Thermal Properties ◽

Temperature Dependence ◽

Interatomic Potential

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Machine-learning-based interatomic potential for phonon transport in perfect crystalline Si and crystalline Si with vacancies

Physical Review Materials ◽

10.1103/physrevmaterials.3.074603 ◽

2019 ◽

Vol 3 (7) ◽

Cited By ~ 8

Author(s):

Hasan Babaei ◽

Ruiqiang Guo ◽

Amirreza Hashemi ◽

Sangyeop Lee

Keyword(s):

Machine Learning ◽

Interatomic Potential ◽

Phonon Transport

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A novel method of determining interatomic potential for Al and Al-Li alloys and studying strength of Al-Al3Li interphase using evolutionary algorithms

Computational Materials Science ◽

10.1016/j.commatsci.2020.110258 ◽

2021 ◽

Vol 190 ◽

pp. 110258

Author(s):

Swagata Roy ◽

Amlan Dutta ◽

Nirupam Chakraborti

Keyword(s):

Evolutionary Algorithms ◽

Interatomic Potential ◽

Novel Method

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Crystallization of the P3Sn4 Phase upon Cooling P2Sn5 Liquid by Molecular Dynamics Simulation Using a Machine Learning Interatomic Potential

The Journal of Physical Chemistry C ◽

10.1021/acs.jpcc.0c08873 ◽

2021 ◽

Vol 125 (5) ◽

pp. 3127-3133

Author(s):

Chao Zhang ◽

Yang Sun ◽

Hai-Di Wang ◽

Feng Zhang ◽

Tong-Qi Wen ◽

...

Keyword(s):

Machine Learning ◽

Molecular Dynamics ◽

Molecular Dynamics Simulation ◽

Interatomic Potential ◽

Dynamics Simulation

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Machine learning interatomic potential for molten TiZrHfNb

10.1063/5.0032302 ◽

2020 ◽

Author(s):

I. A. Balyakin ◽

A. A. Rempel

Keyword(s):

Machine Learning ◽

Interatomic Potential

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ParamGULP: An efficient Python code for obtaining interatomic potential parameters for General Utility Lattice Program

Computer Physics Communications ◽

10.1016/j.cpc.2021.107996 ◽

2021 ◽

Vol 265 ◽

pp. 107996

Author(s):

José Diogo L. Dutra ◽

Thiago D. Bispo ◽

Sabrina M. de Freitas ◽

Marcos V. dos S. Rezende

Keyword(s):

Interatomic Potential ◽

General Utility ◽

Potential Parameters

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