Supporting data and reproducibility files for "Atomistic simulation of microfacet-size-dependent dislocation partitioning and lattice rotation at Ag/Cu(110) interfaces"

This dataset accompanies the manuscript “Atomistic simulation of microfacet-size-dependent dislocation partitioning and lattice rotation at Ag/Cu(110) interfaces” under consideration in Molecular Simulation (Manuscript ID 268123433). The repository provides the numerical source data underlying the principal quantitative results, final energy-minimized Ag/Cu atomistic configurations, LAMMPS input files, information for the Williams–Mishin–Hamilton Cu–Ag EAM potential, crystallographic-tilt measurement source material, and supporting files for the replica, fixed-layer, lateral-size, and Ag/Cu intermixing analyses performed during manuscript revision. The numerical source data include the values used for the crystallographic tilt analysis, deformation-gradient profiles, 0 K excess-energy metric, normalized interface-normal Burgers-vector imbalance, DXA line-length statistics, replica-resolved results, and n = 8 sensitivity/intermixing checks. Full molecular-dynamics trajectories are not included because of their large file size. The deposited material contains the numerical data used in the manuscript, final relaxed structures, principal simulation inputs, and supporting documentation to facilitate inspection and reproduction of the reported workflow and analyses.