Hydrodynamic finite-size scaling of the thermal conductivity in glasses

作     者：Alfredo Fiorentino Paolo Pegolo Stefano Baroni 

作者机构：SISSA—Scuola Internazionale Superiore di Studi Avanzati34136 TriesteItaly CNR-IOM—Istituto Officina MaterialiSISSA Unit34136 TriesteItaly 

出 版 物：《npj Computational Materials》 (计算材料学（英文）)

年 卷 期：2023年第9卷第1期

页      面：696-706页

核心收录：

学科分类：07[理学] 0701[理学-数学] 070101[理学-基础数学] 

基　　金：This work was partially funded by the EU through the MAX Centre of Excellence for supercomputing applications(Project No.10109337) the Italian Ministry of Research and Education through by the Italian MUR through the PRIN 2017 FERMAT(grant No.2017KFY7XF) by the National Centre from HPC,Big Data,and Quantum Computing(grant No.CN00000013) 

主　　题：glasses conductivity thermal 

摘      要：In the past few years,the theory of thermal transport in amorphous solids has been substantially extended beyond the Allen-Feldman *** resulting formulation,based on the Green-Kubo linear response or the Wigner-transport equation,bridges this model for glasses with the traditional Boltzmann kinetic approach for *** computational effort required by these methods usually scales as the cube of the number of atoms,thus severely limiting the size range of computationally affordable glass *** hydrodynamic arguments,we show how this issue can be overcome through a simple formula to extrapolate a reliable estimate of the bulk thermal conductivity of glasses from finite models of moderate *** showcase our findings for realistic models of paradigmatic glassy materials.