A Hybrid SBP-SAT/Fourier Pseudo-spectral Method for the Transient Wigner Equation Involving Inflow Boundary Conditions

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS
Zhangpeng Sun, Wenqi Yao, Qiuping Yu
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Abstract

In this paper, a hybrid SBP-SAT/pseudo-spectral method is proposed for solving the time-dependent Wigner equation. High-order summation-by-parts (SBP) operators are utilized to discretize the Wigner equation spatially, where the inflow boundary conditions are weakly imposed by adding simultaneous approximation terms (SATs) to the semi-discretized Wigner equation. The pseudo-differential term, governing the quantum effect, is discretized in a pseudo-spectral manner with spectral accuracy. \(L^2\)-stabilities of both the semi-discretized (excluding time) and fully discretized systems are thoroughly discussed, with the inclusion of an arbitrary-stage explicit Runge–Kutta scheme for time integration. Numerical experiments are conducted, including simulations of a harmonic oscillator, a Gaussian wave packet, and a typical RTD with its I–V characteristic curves. The numerical results demonstrate: (1) the accuracy order of the numerical scheme in discretizing the Wigner equation in phase space matches the theoretical value; (2) observation of typical quantum effects, including tunneling and negative resistance; and (3) rapid convergence of numerical solutions relative to the accuracy order of SBP operators.

Abstract Image

涉及流入边界条件的瞬态维格纳方程的 SBP-SAT/Fourier 伪谱混合方法
本文提出了一种 SBP-SAT/ 伪频谱混合方法,用于求解时变维格纳方程。利用高阶逐部求和(SBP)算子对 Wigner 方程进行空间离散化,通过在半离散化的 Wigner 方程中添加同步近似项(SAT),弱化流入边界条件。支配量子效应的伪差分项是以伪谱方式离散化的,具有谱精度。对半离散化(不包括时间)和完全离散化系统的 \(L^2\) - 稳定性进行了深入讨论,其中包括用于时间积分的任意阶段显式 Runge-Kutta 方案。进行了数值实验,包括模拟谐波振荡器、高斯波包和典型热电阻及其 I-V 特性曲线。数值结果表明:(1) 在相空间中离散 Wigner 方程的数值方案的精度阶数与理论值相匹配;(2) 观察到典型的量子效应,包括隧道效应和负电阻效应;(3) 相对于 SBP 算子的精度阶数,数值解快速收敛。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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