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What is Thermal Conductivity Spectral Decomposition Methods about?

This document compares three spectral thermal conductivity methods based on velocity decomposition in molecular dynamics simulations: Green-Kubo modal analysis (GKMA), the spectral heat current (SHC) method, and a new method called homogeneous nonequilibrium modal analysis (HNEMA). First, the authors derive an expression for the per-atom virial tensor, which provides a unified representation of the heat current, driving force, and related quantities for each method. They then apply the three methods to calc

Author

Ju Mi

Language

EN