This file contains the crystallographic parameters of grain boundaries and corresponding energies calculated for BCC Fe using molecular dynamics simulation.

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Data for: Atomistic simulations of energies for arbitrary grain boundaries. Part II: statistical analysis of energies for tilt and twist grain boundaries

晶界能量计算

原子级模拟

Grain boundary(GB) energies calculated for Al using the cutoff sphere model with a radius of 5 nm.

NIAID Data Ecosystem60

[100] disorientation axis grain boundary energies and structures

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材料科学模拟

This dataset includes a variety of 100 disorientation axis grain boundaries created as part of two different publications. In work published by J.L. Priedeman, C.W. Rosenbrock, O.K. Johnson, and E.

NIAID Data Ecosystem10

Energy for tilt and twist grain boundaries in BCC Fe

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Energy for tilt and twist grain boundaries in BCC Fe

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