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Simulating electron wave dynamics in graphene superlattices exploiting parallel processing advantages

机译:石墨烯超晶片中的电子波动态利用并联加工优势

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AbstractThis 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 summaryProgram title:GslSim.Program Files doi:http://dx.doi.org/10.17632/prmfv63nj6.1
机译:<![cdata [ Abstract 该工作引入了并行计算框架,以表征基于石墨烯的纳米结构中的电子波的传播。使用“微观”和有效介质形式主义建模电子波动力学,并且使用有限差分时域方案确定二维无阻数DIDAC方程的数值解。研究了具有局部散射中心的石墨烯超晶片中的电子波的传播,并讨论了微观势在电子速度中的对称性的作用。计算方法针对异构多核CPU和多GPU环境的并行功能,并使用OpenCL并行编程框架构建,该框架提供便携式,供应商不可知和高吞吐量性能解决方案。与多线程和多核CPU执行相比,所提出的异构多GPU实现可实现高达75倍的加速度,从几小时减少了数小时到几分钟的模拟时间。 程序摘要 程序标题: GSLSIM。 程序文件doi: http://dx.doi.org/10.17632/prmfv633n6.1

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