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

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS
Zhangpeng Sun, Wenqi Yao, Qiuping Yu
{"title":"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","authors":"Zhangpeng Sun, Wenqi Yao, Qiuping Yu","doi":"10.1007/s10915-024-02582-6","DOIUrl":null,"url":null,"abstract":"<p>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. <span>\\(L^2\\)</span>-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.</p>","PeriodicalId":2,"journal":{"name":"ACS Applied Bio Materials","volume":null,"pages":null},"PeriodicalIF":4.6000,"publicationDate":"2024-06-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"A Hybrid SBP-SAT/Fourier Pseudo-spectral Method for the Transient Wigner Equation Involving Inflow Boundary Conditions\",\"authors\":\"Zhangpeng Sun, Wenqi Yao, Qiuping Yu\",\"doi\":\"10.1007/s10915-024-02582-6\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p>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. <span>\\\\(L^2\\\\)</span>-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.</p>\",\"PeriodicalId\":2,\"journal\":{\"name\":\"ACS Applied Bio Materials\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.6000,\"publicationDate\":\"2024-06-20\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"ACS Applied Bio Materials\",\"FirstCategoryId\":\"100\",\"ListUrlMain\":\"https://doi.org/10.1007/s10915-024-02582-6\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, BIOMATERIALS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"ACS Applied Bio Materials","FirstCategoryId":"100","ListUrlMain":"https://doi.org/10.1007/s10915-024-02582-6","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, BIOMATERIALS","Score":null,"Total":0}
引用次数: 0

摘要

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。

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

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

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.

求助全文
通过发布文献求助,成功后即可免费获取论文全文。 去求助
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
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
确定
请完成安全验证×
copy
已复制链接
快去分享给好友吧!
我知道了
右上角分享
点击右上角分享
0
联系我们:info@booksci.cn Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号:481959085
Book学术官方微信