Codes and Date for Manuscript Entitled "Synthetic driving force simulations of grain boundary migration with adaptive atom"

Description

This dataset accompanies the manuscript “Synthetic driving force simulations of grain boundary migration with adaptive atom classification.” It provides the computational resources required to implement and reproduce the principal features of the modified cross-reference order-parameter synthetic driving force method (MCROP-SDF). The dataset includes the MCROP-SDF source code for implementation in LAMMPS, a user manual describing compilation, representative example files for grain-boundary migration simulations, and simulation scripts associated with selected figures in the manuscript. MCROP-SDF is intended for integration into a future release of LAMMPS through the fix orient/crop command.

Institutions

• Nanchang Hangkong University

  Jiangxi, Nanchang
• Jimei University

  Fujian, Xiamen
• University of Manitoba

  Manitoba, Winnipeg

Categories

Funders

• National Natural Science Foundation of China

  Beijing, Beijing

  Grant ID: 52565043 and U25A20210
• Jiangxi Provincial Natural Science Foundation

  Grant ID: 20242BAB25208

Licence