Irene M. Gamba

R. E. Heath, I. M. Gamba, P. J. Morrison et al.

A discontinuous Galerkin method for approximating the Vlasov-Poisson system of equations describing the time evolution of a collisionless plasma is proposed. The method is mass conservative and, in the case that piecewise constant functions are used as a basis, the method preserves the positivity of the electron distribution function and weakly enforces continuity of the electric field through mesh interfaces and boundary conditions. The performance of the method is investigated by computing several examples and error estimates associated system's approximation are stated. In particular, computed results are benchmarked against established theoretical results for linear advection and the phenomenon of linear Landau damping for both the Maxwell and Lorentz distributions. Moreover, two nonlinear problems are considered: nonlinear Landau damping and a version of the two-stream instability are computed. For the latter, fine scale details of the resulting long-time BGK-like state are presented. Conservation laws are examined and various comparisons to theory are made. The results obtained demonstrate that the discontinuous Galerkin method is a viable option for integrating the Vlasov-Poisson system.

Yingda Cheng, Irene M. Gamba, Philip J. Morrison

In this paper we consider Runge-Kutta discontinuous Galerkin (RKDG) schemes for Vlasov-Poisson systems that model collisionless plasmas. One-dimensional systems are emphasized. The RKDG method, originally devised to solve conservation laws, is seen to have excellent conservation properties, be readily designed for arbitrary order of accuracy, and capable of being used with a positivity-preserving limiter that guarantees positivity of the distribution functions. The RKDG solver for the Vlasov equation is the main focus, while the electric field is obtained through the classical representation by Green's function for the Poisson equation. A rigorous study of recurrence of the DG methods is presented by Fourier analysis, and the impact of different polynomial spaces and the positivity-preserving limiters on the quality of the solutions is ascertained. Several benchmark test problems, such as Landau damping, two-stream instability and the KEEN (Kinetic Electrostatic Electron Nonlinear) wave, are given.

Irene M. Gamba, Jeffrey R. Haack, Cory D. Hauck et al.

We propose a simple fast spectral method for the Boltzmann collision operator with general collision kernels. In contrast to the direct spectral method \cite{PR00, GT09} which requires $O(N^6)$ memory to store precomputed weights and has $O(N^6)$ numerical complexity, the new method has complexity $O(MN^4\log N)$, where $N$ is the number of discretization points in each of the three velocity dimensions and $M$ is the total number of discretization points on the sphere and $M\ll N^2$. Furthermore, it requires no precomputation for the variable hard sphere (VHS) model and only $O(MN^4)$ memory to store precomputed functions for more general collision kernels. Although a faster spectral method is available \cite{MP06} (with complexity $O(MN^3\log N)$), it works only for hard sphere molecules, thus limiting its use for practical problems. Our new method, on the other hand, can apply to arbitrary collision kernels. A series of numerical tests is performed to illustrate the efficiency and accuracy of the proposed method.

Yingda Cheng, Irene M. Gamba, Fengyan Li et al.

Discontinuous Galerkin methods are developed for solving the Vlasov-Maxwell system, methods that are designed to be systematically as accurate as one wants with provable conservation of mass and possibly total energy. Such properties in general are hard to achieve within other numerical method frameworks for simulating the Vlasov-Maxwell system. The proposed scheme employs discontinuous Galerkin discretizations for both the Vlasov and the Maxwell equations, resulting in a consistent description of the distribution function and electromagnetic fields. It is proven, up to some boundary effects, that charge is conserved and the total energy can be preserved with suitable choices of the numerical flux for the Maxwell equations and the underlying approximation spaces. Error estimates are established for several flux choices. The scheme is tested on the streaming Weibel instability: the order of accuracy and conservation properties of the proposed method are verified.

Irene M. Gamba, Jeffrey R. Haack

We present new results building on the conservative deterministic spectral method for the space inhomogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. We extend this method to second order accuracy in space and time, and explore how to leverage the structure of the collisional formulation for high performance computing environments. The locality in space of the collisional term provides a straightforward memory decomposition, and we perform some initial scaling tests on high performance computing resources. We also use the improved computational power of this method to investigate a boundary-layer generated shock problem that cannot be described by classical hydrodynamics.

Yuan He, Irene M. Gamba, Heung-Chan Lee et al.

The mathematical modeling and numerical simulation of semiconductor-electrolyte systems play important roles in the design of high-performance semiconductor-liquid junction solar cells. In this work, we propose a macroscopic mathematical model, a system of nonlinear partial differential equations, for the complete description of charge transfer dynamics in such systems. The model consists of a reaction-drift-diffusion-Poisson system that models the transport of electrons and holes in the semiconductor region and an equivalent system that describes the transport of reductants and oxidants, as well as other charged species, in the electrolyte region. The coupling between the semiconductor and the electrolyte is modeled through a set of interfacial reaction and current balance conditions. We present some numerical simulations to illustrate the quantitative behavior of the semiconductor-electrolyte system in both dark and illuminated environments. We show numerically that one can replace the electrolyte region in the system with a Schottky contact only when the bulk reductant-oxidant pair density is extremely high. Otherwise, such replacement gives significantly inaccurate description of the real dynamics of the semiconductor-electrolyte system.

Irene M. Gamba, Jeffrey R. Haack

We present new results building on the conservative deterministic spectral method for the space homogeneous Boltzmann equation developed by Gamba and Tharkabhushaman. This approach is a two-step process that acts on the weak form of the Boltzmann equation, and uses the machinery of the Fourier transform to reformulate the collisional integral into a weighted convolution in Fourier space. A constrained optimization problem is solved to preserve the mass, momentum, and energy of the resulting distribution. Within this framework we have extended the formulation to the case of more general case of collision operators with anisotropic scattering mechanisms, which requires a new formulation of the convolution weights. We also derive the grazing collisions limit for the method, and show that it is consistent with the Fokker-Planck-Landau equations as the grazing collisions parameter goes to zero.

Chenglong Zhang, Irene M. Gamba

The quantitative information on the spectral gaps for the linearized Boltzmann operator is of primary importance on justifying the Boltzmann model and study of relaxation to equilibrium. This work, for the first time, provides numerical evidences on the existence of spectral gaps and corresponding approximate values. The linearized Boltzmann operator is projected onto a Discontinuous Galerkin mesh, resulting in a "collision matrix". The original spectral gap problem is then approximated by a constrained minimization problem, with objective function being the Rayleigh quotient of the "collision matrix" and with constraints being the conservation laws. A conservation correction then applies. We also showed the convergence of the approximate Rayleigh quotient to the real spectral gap for the case of integrable angular cross-sections. Some distributed eigen-solvers and hybrid OpenMP and MPI parallel computing are implemented. Numerical results on integrable as well as non-integrable angular cross-sections are provided.

José A. Morales Escalante, Irene M. Gamba, Eirik Endeve et al.

The work presented in this paper is related to the development of positivity preserving Discontinuous Galerkin (DG) methods for Boltzmann - Poisson (BP) computational models of electronic transport in semiconductors. We pose the Boltzmann Equation for electron transport in curvilinear coordinates for the momentum. We consider the 1D diode problem with azimuthal symmetry, which is a 3D plus time problem. We choose for this problem the spherical coordinate system $\vec{p}(|\vec{p}|,μ=cosθ,φ)$, slightly different to the choice in previous DG solvers for BP, because its DG formulation gives simpler integrals involving just piecewise polynomial functions for both transport and collision terms. Applying the strategy of Zhang \& Shu, \cite{ZhangShu1}, \cite{ZhangShu2}, Cheng, Gamba, Proft, \cite{CGP}, and Endeve et al. \cite{EECHXM-JCP}, we treat the collision operator as a source term, and find convex combinations of the transport and collision terms which guarantee the positivity of the cell average of our numerical probability density function at the next time step. The positivity of the numerical solution to the pdf in the whole domain is guaranteed by applying the limiters in \cite{ZhangShu1}, \cite{ZhangShu2} that preserve the cell average but modify the slope of the piecewise linear solutions in order to make the function non - negative. In addition of the proofs of positivity preservation in the DG scheme, we prove the stability of the semi-discrete DG scheme under an entropy norm, using the dissipative properties of our collisional operator given by its entropy inequalities. The entropy inequality we use depends on an exponential of the Hamiltonian rather than the Maxwellian associated just to the kinetic energy.

Jose A. Morales Escalante, Irene M. Gamba

In this paper we perform, by means of Discontinuous Galerkin (DG) Finite Element Method (FEM) based numerical solvers for Boltzmann-Poisson (BP) semiclassical models of hot electronic transport in semiconductors, a numerical study of reflective boundary conditions in the BP system, such as specular reflection, diffusive reflection, and a mixed convex combination of these reflections, and their effect on the behavior of the solution. A boundary layer effect is observed in our numerical simulations for the kinetic moments related to diffusive and mixed reflection.