Thermal transport across copper–water interfaces according to deep potential molecular dynamics
Zhiqiang Li, Xiaoyu Tan, Zhiwei Fu, Linhua Liu, Jia‐Yue Yang
Abstract
, the same order of magnitude as the CMD and experimental results but with a high computational accuracy. This work seeks to simulate the thermal transport properties of solid-liquid interfaces with DFT accuracy at large-system and long-time scales.
Topics & Concepts
CopperMolecular dynamicsThermalChemical physicsDynamics (music)Materials scienceChemistryThermodynamicsPhysicsComputational chemistryMetallurgyAcousticsThermal properties of materialsMachine Learning in Materials ScienceMaterial Dynamics and Properties