N-body potential for simulating lattice defects and diffusion in copper

Mendeley Data2026-04-09 收录

材料原子模拟

晶格缺陷扩散

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The supplemetary materials to the article "N-body potential for simulating lattice defects and diffusion in copper"

Data publication: Examining different regimes of ionization-induced damage in GaN through atomistic simulations

半导体辐照损伤模拟

材料原子模拟

Two Temperature Model - Molecular Dynamics (TTM-MD) simulations describing the interaction of Swift Heavy Ions (0.35-0.54 MeV/amu Xe, 0.6 and 5.8 MeV/amu Pb, and 3.8 MeV/amu U ions. The simulations ar

DataCite Commons2022-12-05 更新90

Dataset belonging to the paper "Atomic resolution observations of silver segregation in a [111] tilt grain boundary in copper"

晶界偏析表征

材料原子模拟

This repository contains the raw data of the experimental (S)TEM imaging and the data corresponding to the simulations and theoretical calculations of the paper "Atomic resolution observations of silv

NIAID Data Ecosystem40

Homogeneous nucleation of undercooled Al-Ni melts via a machine-learned interaction potential

材料原子模拟

合金凝固成核预测

Homogeneous nucleation processes are important for understanding solidification and the resulting microstructure of materials. Simulating this process requires accurately describing the interactions b

DataCite Commons2026-03-12 更新40

High-temperature multi-element 2021 (HME21) dataset

材料原子模拟

神经网络势能开发

HME21 is the atomic structure dataset aimed for the neural network potential development. It was created in the development of PFP, a universal neural network potential for material discovery [1]. It

Figshare2022-04-28 更新40

MC/MD data for Coherent Precipitates in the Fe-Cr system

材料原子模拟

合金析出物热力学

Data output from LAMMPS simulations of Fe-Cr coherent precipitate microstructures used for analysis in the manuscript "Atomistic Simulations Reveal the Need to Reassess Standard Thermodynamic Models o

NIAID Data Ecosystem40

N-body potential for simulating lattice defects and diffusion in copper

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