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Jose A. Morales Escalante

Publications and source records attributed to Jose A. Morales Escalante.

6 recordsLinked to original sources

Entropy-stable positivity-preserving DG schemes for Boltzmann-Poisson models of collisional electronic transport along energy bands

This work is related to the development of entropy-stable positivity-preserving DG methods as a computational scheme for Boltzmann-Poisson systems modeling the probability density of collisional electronic transport along energy bands in semiconductors. We pose, in momentum coordinates representing spherical / energy-angular variables, the respective Vlasov-Boltzmann eq. with a linear collision operator and a singular measure, modeling scatterings as functions of the bandstructure appropriately for hot electron nanoscale transport. We show stability results of semidiscrete DG schemes under an entropy norm for 1D, 2D position, using dissipative properties of the collisional operator given its entropy inequality. The latter depends on an exponential of the Hamiltonian rather than the Maxwellian associated with only kinetic energy. For the 1D problem, knowing the analytic solution to the Poisson equation and convergence to a constant current is crucial to obtaining full stability. For the 2D problem, specular reflection boundary conditions and periodicity are considered in estimating stability under an entropy norm. Regarding the positivity-preservation in the DG scheme for the 1D problem, we treat collisions as a source and find convex combinations of the transport and collision terms which guarantee positivity of the cell average of our numerical probability density at the next time. The positivity of the numerical solution to the probability density in the domain is guaranteed by applying well-known limiters that preserve the cell average modifying the slope of the piecewise linear solutions to make the function non-negative. The use of a spherical coordinate system whose radial component is the momentum magnitude is slightly different from choices in previous DG solvers for Boltzmann-Poisson, since the proposed DG formulation gives simpler integrals involving piecewise polynomials.

math.NA↗

NIPG-DG schemes for transformed master equations modeling open quantum systems

This work presents a numerical analysis of a Discontinuous Galerkin (DG) method for a transformed master equation modeling an open quantum system: a quantum sub-system interacting with a noisy environment. It is shown that the presented transformed master equation has a reduced computational cost in comparison to a Wigner-Fokker-Planck model of the same system for the general case of non-harmonic potentials via DG schemes. Specifics of a Discontinuous Galerkin (DG) numerical scheme adequate for the system of convection-diffusion equations obtained for our Lindblad master equation in position basis are presented. This lets us solve computationally the transformed system of interest modeling our open quantum system problem. The benchmark case of a harmonic potential is then presented, for which the numerical results are compared against the analytical steady-state solution of this problem. Two non-harmonic cases are then presented: the linear and quartic potentials are modeled via our DG framework, for which we show our numerical results.

physics.comp-ph↗

Stochastic Galerkin Methods for the Boltzmann-Poisson system

We study uncertainty quantification for a Boltzmann-Poisson system that models electron transport in semiconductors and the physical collision mechanisms over the charges. We use the stochastic Galerkin method in order to handle the randomness associated with the problem. The main uncertainty in the Boltzmann equation concerns the initial conditions for a large number of particles, which is why the problem is formulated in terms of a probability density in phase space. The second source of uncertainty, directly related to the quantum nature of the problem, is the collision operator, as its structure in this semiclassical model comes from the quantum scattering matrices operating on the wave function associated to the electron probability density. Additional sources of uncertainty are transport, boundary data, etc. In this study we choose first the phonon energy as a random variable, since its value influences the energy jump appearing in the collision integral for electron-phonon scattering. Then we choose the lattice temperature as a random variable, since it defines the value of the collision operator terms in the case of electron-phonon scattering by being a parameter of the phonon distribution. The random variable for this case is a scalar then. Finally, we present our numerical simulations.

math.NA↗

Galerkin Methods for Boltzmann-Poisson transport with reflection conditions on rough boundaries

We consider in this paper the mathematical and numerical modelling of reflective boundary conditions (BC) associated to Boltzmann - Poisson systems, including diffusive reflection in addition to specularity, in the context of electron transport in semiconductor device modelling at nano scales, and their implementation in Discontinuous Galerkin (DG) schemes. We study these BC on the physical boundaries of the device and develop a numerical approximation to model an insulating boundary condition, or equivalently, a pointwise zero flux mathematical condition for the electron transport equation. Such condition balances the incident and reflective momentum flux at the microscopic level, pointwise at the boundary, in the case of a more general mixed reflection with momentum dependant specularity probability $p(\vec{k})$. We compare the computational prediction of physical observables given by the numerical implementation of these different reflection conditions in our DG scheme for BP models, and observe that the diffusive condition influences the kinetic moments over the whole domain in position space.

math.NA↗

Boundary conditions effects by Discontinuous Galerkin solvers for Boltzmann-Poisson models of electron transport

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.

cond-mat.mes-hall↗