Hydrodynamic finite-size scaling of the thermal conductivity in glasses  

作　　者：Alfredo Fiorentino Paolo Pegolo Stefano Baroni 

机构地区：[1]SISSA—Scuola Internazionale Superiore di Studi Avanzati,34136 Trieste,Italy [2]CNR-IOM—Istituto Officina Materiali,SISSA Unit,34136 Trieste,Italy

出　　处：《npj Computational Materials》2023年第1期696-706,共11页计算材料学（英文）

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).

摘　　要：In the past few years,the theory of thermal transport in amorphous solids has been substantially extended beyond the Allen-Feldman model.The 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 crystals.The 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 models.Leveraging 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 size.We showcase our findings for realistic models of paradigmatic glassy materials.

关 键 词：GLASSES CONDUCTIVITY THERMAL 

分 类 号：O17[理学—数学]