Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials
Abstract The earlier integration of validated Lennard–Jones (LJ) potentials for 8 fcc metals into materials and biomolecular force fields has advanced multiple research fields, for example, metal–electrolyte interfaces, recognition of biomolecules, colloidal assembly of metal nanostructures, alloys,...
Saved in:
Main Authors: | Krishan Kanhaiya, Seonghan Kim, Wonpil Im, Hendrik Heinz |
---|---|
Format: | article |
Language: | EN |
Published: |
Nature Portfolio
2021
|
Subjects: | |
Online Access: | https://doaj.org/article/a2ab75e10fcf466dbf2f7b76ecfad3d1 |
Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
Author Correction: Accurate simulation of surfaces and interfaces of ten FCC metals and steel using Lennard–Jones potentials
by: Krishan Kanhaiya, et al.
Published: (2021) -
A three-dimensional polyhedral unit model for grain boundary structure in fcc metals
by: Arash Dehghan Banadaki, et al.
Published: (2017) -
Continuum understanding of twin formation near grain boundaries of FCC metals with low stacking fault energy
by: Jaimyun Jung, et al.
Published: (2017) -
Graph neural networks for an accurate and interpretable prediction of the properties of polycrystalline materials
by: Minyi Dai, et al.
Published: (2021) -
A systematic approach to generating accurate neural network potentials: the case of carbon
by: Yusuf Shaidu, et al.
Published: (2021)