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Raw data in "modified embedded-atom method interatomic potential for the Mg-Zn-Ca ternary system" (revised version)

Mendeley Data2019-07-18 更新2026-04-09 收录

原子间势函数

三元合金计算材料学

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https://data.mendeley.com/datasets/5694x3bdyk 数据链接链接失效反馈

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资源简介：

Raw data for the revised version of the paper.

应用场景：

创建时间：

2019-07-18

材料科学

原子间势函数

Classical empirical potentials/force-fields (FF) provide atomistic insights into material phenomena through molecular dynamics and Monte Carlo simulations. Despite their wide applicability, a system

DataCite Commons2025-06-01 更新80

Machine learning enhanced empirical potentials for metals and alloys

原子间势函数

计算材料学

Interatomic potential (i.e. force-field) plays a vital role in atomistic simulation of materials. Empirical potentials like the embedded atom method (EAM) and its variant angular-dependent potential (

NIAID Data Ecosystem40

GAP general purpose interatomic potential for iron

计算材料科学

原子间势函数

A general purpose Gaussian Approximation Potential (GAP) [1,2] for iron. The training database has been computed at the PBE level of theory [3] using the VASP code [4-7]. Fitting of the potentials was

Zenodo2023-07-19 更新20

Exploring the configuration space of elemental carbon with empirical and machine learned interatomic potentials

原子间势函数

碳材料构型模拟

This dataset contains a vertical slice of the data used to generate the results found in the publication "Exploring the configuration space of elemental carbon with empirical and machine learned inter

NIAID Data Ecosystem40

Machine Learning potential for the tungsten-hydrogen system

原子间势函数

核材料缺陷模拟

This database was developed as part of a study focused on the interaction between hydrogen atoms and 1/2 <111> screw dislocations in tungsten, a metal of strategic interest for nuclear applicati

Recherche Data Gouv France2025-01-01 更新30

Raw data in "modified embedded-atom method interatomic potential for the Mg-Zn-Ca ternary system" (revised version)

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