High-throughput computational evaluation of lattice thermal conductivity using an optimized Slack model
Guangzhao Qin, An Huang, Yinqiao Liu, Huimin Wang, Zhenzhen Qin, Xue Jiang, Jijun Zhao, Jianjun Hu, Ming Hu
Abstract
An optimized Slack model is proposed, which can be used for high-throughput computational evaluation of κ for finding materials of ultrahigh or ultralow κ with broad applications.
Topics & Concepts
ThroughputThermal conductivityComputer scienceMaterials scienceComputational scienceLattice (music)ConductivityElectronic engineeringParallel computingOptoelectronicsComposite materialPhysicsEngineeringChemistryTelecommunicationsAcousticsPhysical chemistryWirelessThermal properties of materialsAdvanced Thermoelectric Materials and DevicesMachine Learning in Materials Science