A split-step method to include electron-electron collisions via Monte Carlo in multiple rate equation simulations

JOURNAL OF COMPUTATIONAL PHYSICS

卷:322

Article

Huthmacher, Klaus^1,2  Molberg, Andreas K.^2,3  Rethfeld, Baerbel^1,2  Gulley, Jeremy R.⁴ 

[1] Univ Kaiserslautern, Dept Phys, Kaiserslautern, Germany

[2] Univ Kaiserslautern, OPTIMAS Res Ctr, Kaiserslautern, Germany

[3] Univ Kaiserslautern, Dept Chem, Kaiserslautern, Germany

[4] Kennesaw State Univ, Dept Phys, Kennesaw, GA 30144 USA

关键词: Split-step method;    Operator splitting;    Laser-induced ionization;    Free electron dynamics;    Monte Carlo;    Electron-electron collisions;    C++11;    FORTRAN 2003;    Interface;    OpenMP;   

DOI  :  10.1016/j.jcp.2016.06.043

来源: Elsevier

【 摘 要 】

A split-step numerical method for calculating ultrafast free-electron dynamics in dielectrics is introduced. The two split steps, independently programmed in C++11 and FORTRAN 2003, are interfaced via the presented open source wrapper. The first step solves a deterministic extended multi-rate equation for the ionization, electron-phonon collisions, and single photon absorption by free-carriers. The second step is stochastic and models electron-electron collisions using Monte-Carlo techniques. This combination of deterministic and stochastic approaches is a unique and efficient method of calculating the nonlinear dynamics of 3D materials exposed to high intensity ultrashort pulses. Results from simulations solving the proposed model demonstrate how electron-electron scattering relaxes the non-equilibrium electron distribution on the femtosecond time scale. (C) 2016 Elsevier Inc. All rights reserved.

【 授权许可】

Free