A computational framework for quantifying the contributions of individual atomic motions to self-diffusion in liquid metals

Description

This dataset and software package contain the numerical datasets and Python source codes required to reproduce the results presented in the manuscript. The package includes classified atomic trajectories, self-diffusion statistics, and the core kinematic motion segmentation framework for liquid metals. Detailed execution procedures are provided within the accompanying documentation.

Institutions

• Waseda University

  Tokyo, Tokyo

Categories

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