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In Li et al. (J Sci Comput 62:317–335, 2015), we thoroughly investigated the structure of the kernel space of the discrete one-dimensional (1D) non-polar optical phonon (NPOP)-electron scattering matrix, and proposed a strategy to setup grid points so that the uniqueness of the discrete scattering kernel is preserved. In this paper, we extend the above work to the three dimensional (3D) case, and also investigate the polar optical phonon (POP)-electron case. In numerical discretization, it is important to get a discretization scattering matrix that keeps as many properties of the continuous scattering operator as possible. We prove that for the 3D NPOP-electron scattering, (i) the dimension of the kernel space of the discrete scattering matrix is one and (ii) the equilibrium distribution is constant with respect to the angular coordinates as long as the mesh over the energy interval obeys the rule proposed in Li et al. (2015). For the POP-electron scattering, (i) is also kept under the same condition, but to keep (ii) becomes a challenging task, since generally a simple uniform mesh in the azimuth and polar angular coordinates will not preserve (ii). Based on high degree of symmetry of the Platonic solids and regular pyramids, we propose two conditions and prove they are sufficient to guarantee (ii). Numerical experiments strongly support our theoretical findings.

The stationary Wigner inflow boundary value problem (SWIBVP) is modeled as an optimization problem by using the idea of shooting method in this paper. To remove the singularity at $$v=0$$ , we consider a regularized SWIBVP, where a regularization constraint is considered along with the original SWIBVP, and a modified optimization problem is established for it. A shooting algorithm is proposed to solve the two optimization problems, involving the limited-memory BFGS (L-BFGS) algorithm as the optimization solver. Numerical results show that solving the optimization problems with respect to the SWIBVP with the shooting algorithm is as effective as solving the SWIBVP with Frensley’s numerical method (Frensley in Phys Rev B 36:1570–1580, 1987). Furthermore, the modified optimization problem gets rid of the singularity at $$v=0$$ , and preserves symmetry of the Wigner function, which implies the optimization modeling with respect to the regularized SWIBVP is successful.

The “Vlasov-Maxwell system” is a groundbreaking algorithm to model, simulate and further analyze the vigorous performance of the collisionless plasma in the presence of the electromagnetic fields. In this frame of reference, the inquiry of this system with the deep conceptions of the time-fractional derivative is a novel benchmark and also the key intentions of this study. For this purpose, higher dimensional semi-relativistic time-fractional Vlasov-Maxwell system is formulated with the physical significances of the geometry. Furthermore, to fabricate the numerical consequences, we suggest an innovative algorithm which based on spectral and finite-difference approximations. The spatial and temporal variables are handled by using shifted Gegenbauer polynomials and finite-difference approximations respectively. Numerous simulations are carried out to validate the reliability and accuracy of the anticipated method. Error bound convergence and stability of the method is inspected numerically. Furthermore, the established technique can be used conveniently to observe the numerical result of other multi-dimensional time-fraction with variable-order problems of physical nature.

We investigate the discretization of of an electron---optical phonon scattering using a finite volume method. The discretization is conservative in mass and is essentially based on an energy point of view. This results in a discrete scattering system with elegant mathematical features, which are fully clarified. Precisely the discrete scattering matrix is thoroughly studied, including its sparsity pattern and its symmetries, the structure of its eigenvalues and eigenvectors. It makes us reveal the strategy to setup grid points, so that the proper scattering matrix can be obtained to preserve the unique discrete scattering kernel. Numerical results are presented to validate these theoretical findings.

In this paper, an improved inflow boundary condition is proposed for Wigner equations in simulating a resonant tunneling diode (RTD), which takes into consideration the band structure of the device. The original Frensley inflow boundary condition prescribes the Wigner distribution function at the device boundary to be the semi-classical Fermi-Dirac distribution for free electrons in the device contacts without considering the effect of the quantum interaction inside the quantum device. The proposed device adaptive inflow boundary condition includes this effect by assigning the Wigner distribution to the value obtained from the Wigner transform of wave functions inside the device at zero external bias voltage, thus including the dominant effect on the electron distribution in the contacts due to the device internal band energy profile. Numerical results on computing the electron density inside the RTD under various incident waves and non-zero bias conditions show much improvement by the new boundary condition over the traditional Frensley inflow boundary condition.

By the moment closure of the Boltzmann transport equation, the extended hydrodynamic models for electron transport have been derived in Cai et al. (J Math Phys 53:103503, 2012). With the numerical scheme developed in Li et al. (2012) recently, it has been demonstrated that the derived extended hydrodynamic models can capture the major features of the solution of kinetic equations. As the application of the models and the numerical scheme proposed therein, we in this paper carry out the numerical simulation to investigate the carrier transport in $$n^{+}$$ n + - $$n$$ n - $$n^{+}$$ n + structures by solving the moment system derived from the Boltzmann---Poisson equations. Without any additional empirical parameters than that used in directly solving the kinetic equations, we obtain numerical results by the extended hydrodynamic models with very satisfied agreement with the solution of the kinetic equations, even in case that the length of the channel is as short as 50 nm.

For the stationary Wigner equation with inflow boundary conditions, its numerical convergence with respect to the velocity mesh size are deteriorated due to the singularity at velocity zero. In this paper, using the fact that the solution of the stationary Wigner equation is subject to an algebraic constraint, we prove that the Wigner equation can be written into a form with a bounded operator $\mathcal{B}[V]$, which is equivalent to the operator $\mathcal{A}[V]=\Theta[V]/v$ in the original Wigner equation under some conditions. Then the discrete operators discretizing $\mathcal{B}[V]$ are proved to be uniformly bounded with respect to the mesh size. Based on the therectical findings, a signularity-free numerical method is proposed. Numerical reuslts are proivded to show our improved numerical scheme performs much better in numerical convergence than the original scheme based on discretizing $\mathcal{A}[V]$., Comment: 15 pages, 4 figures

In this paper, we will present a unified formulation of discontinuous Galerkin method (DGM) for Maxwell's equations in linear dispersive and lossy materials of Debye type and in the artificial perfectly matched layer (PML) regions. An auxiliary differential equation (ADE) method is used to handle the frequency-dependent constitutive relations with the help of auxiliary polarization currents in the computational and PML regions. The numerical flux for the dispersive lossy Maxwell's equations with the auxiliary polarization current variables is derived. Various numerical results are provided to validate the proposed formulation.