• 文献标题:   Simulating electron wave dynamics in graphene superlattices exploiting parallel processing advantages
  • 文献类型:   Article
  • 作  者:   RODRIGUES MJ, FERNANDES DE, SILVEIRINHA MG, FALCAO G
  • 作者关键词:   graphene superlattice gsl, electron wave dynamic, finitedifference timedomain fdtd, open computing language opencl, graphics processing unit gpu, parallel processing, multigpu
  • 出版物名称:   COMPUTER PHYSICS COMMUNICATIONS
  • ISSN:   0010-4655 EI 1879-2944
  • 通讯作者地址:   Univ Coimbra
  • 被引频次:   0
  • DOI:   10.1016/j.cpc.2017.08.023
  • 出版年:   2018

▎ 摘  要

This work introduces a parallel computing framework to characterize the propagation of electron waves in graphene-based nanostructures. The electron wave dynamics is modeled using both "microscopic" and effective medium formalisms and the numerical solution of the two-dimensional massless Dirac equation is determined using a Finite-Difference Time -Domain scheme. The propagation of electron waves in graphene superlattices with localized scattering centers is studied, and the role of the Symmetry of the microscopic potential in the electron velocity is discussed. The computational methodologies target the parallel capabilities of heterogeneous multi-core CPU and multi-GPU environments and are built with the OpenCL parallel programming framework which provides a portable, vendor agnostic and high throughput-performance solution. The proposed heterogeneous multi-GPU implementation achieves speedup ratios up to 75x when compared to multi-thread and multi-core CPU execution, reducing simulation times from several hours to a couple of minutes. Program summary Program title: GslSim. Program Files doi: http://dx.doLorg/10.17632/prmfv63nj6.1 Licensing provisions: GPLv3. Programming language: C, OpenCL and Matlab for results analysis. Nature of problem: Computing the time evolution of electron waves in graphene superlattices is a time consuming process due to the high number of necessary nodes to discretize the spatial and time domains. Solution method: We develop a simulator based on the C/OpenCL standards to study the time evolution of electron waves in graphene superlattices by exploiting hardware architectures such as graphics processing units (GPUs) to speedup the computation of the pseudospinor. (C) 2017 Elsevier B.V. All rights reserved.