Thermal conductivity accumulation in amorphous silica and amorphous silicon | |
Article | |
关键词: MOLECULAR-DYNAMICS; LATTICE-VIBRATIONS; ELASTIC PROPERTIES; HEAT-TRANSPORT; FORCE-FIELDS; MODEL; SI; SIMULATION; ALUMINOPHOSPHATES; LOCALIZATION; | |
DOI : 10.1103/PhysRevB.89.144303 | |
来源: SCIE |
【 摘 要 】
We predict the properties of the propagating and nonpropagating vibrational modes in amorphous silica (a-SiO2) and amorphous silicon (a-Si) and, from them, thermal conductivity accumulation functions. The calculations are performed using molecular dynamics simulations, lattice dynamics calculations, and theoretical models. For a-SiO2, the propagating modes contribute negligibly to thermal conductivity (6%), in agreement with the thermal conductivity accumulation measured by Regner et al. [Nat. Commun. 4, 1640 ( 2013)]. For a-Si, propagating modes with mean-free paths up to 1 mu m contribute 40% of the total thermal conductivity. The predicted contribution to thermal conductivity from nonpropagating modes and the total thermal conductivity for a-Si are in agreement with the measurements of Regner et al. The accumulation in the measurements, however, takes place over a narrower band of mean-free paths (100 nm-1 mu m) than that predicted (10 nm-1 mu m).
【 授权许可】
Free