作者: María Aboy , Iván Santos , Lourdes Pelaz , Luis A. Marqués , Giuseppe Fisicaro
DOI: 10.1016/B978-0-12-820255-5.00003-9
关键词: Work (thermodynamics) 、 Thermal 、 Chemical physics 、 Process simulation 、 Nanoscopic scale 、 Dopant 、 Field (physics) 、 Materials science 、 Semiconductor 、 Laser
摘要: … The timescale accessible to ab initio molecular dynamics is typically of the order of several picoseconds. Although diffusion paths can be studied with ab initio molecular dynamics, this …