{"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}
引用次数: 0
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.