No Arabic abstract
A class of explicit numerical schemes is developed to solve for the relativistic dynamics and spin of particles in electromagnetic fields, using the Lorentz-BMT equation formulated in the Clifford algebra representation of Baylis. It is demonstrated that these numerical methods, reminiscent of the leapfrog and Verlet methods, share a number of important properties: they are energy-conserving, volume-conserving and second order convergent. These properties are analysed empirically by benchmarking against known analytical solutions in constant uniform electrodynamic fields. It is demonstrated that the numerical error in a constant magnetic field remains bounded for long time simulations in contrast to the Boris pusher, whose angular error increases linearly with time. Finally, the intricate spin dynamics of a particle is investigated in a plane wave field configuration.
WavePacket is an open-source program package for numerical simulations in quantum dynamics. Building on the previous Part I [Comp. Phys. Comm. 213, 223-234 (2017)] and Part II [Comp. Phys. Comm. 228, 229-244 (2018)] which dealt with quantum dynamics of closed and open systems, respectively, the present Part III adds fully classical and mixed quantum-classical propagations to WavePacket. In those simulations classical phase-space densities are sampled by trajectories which follow (diabatic or adiabatic) potential energy surfaces. In the vicinity of (genuine or avoided) intersections of those surfaces trajectories may switch between surfaces. To model these transitions, two classes of stochastic algorithms have been implemented: (1) J. C. Tullys fewest switches surface hopping and (2) Landau-Zener based single switch surface hopping. The latter one offers the advantage of being based on adiabatic energy gaps only, thus not requiring non-adiabatic coupling information any more. The present work describes the MATLAB version of WavePacket 6.0.2 which is essentially an object-oriented rewrite of previo
We study a family of structure-preserving deterministic numerical schemes for Lindblad equations, and carry out detailed error analysis and absolute stability analysis. Both error and absolute stability analysis are validated by numerical examples.
In this paper we present energy-conserving, mixed discontinuous Galerkin (DG) and continuous Galerkin (CG) schemes for the solution of a broad class of physical systems described by Hamiltonian evolution equations. These systems often arise in fluid mechanics (incompressible Euler equations) and plasma physics (Vlasov--Poisson equations and gyrokinetic equations), for example. The dynamics is described by a distribution function that evolves given a Hamiltonian and a corresponding Poisson bracket operator, with the Hamiltonian itself computed from field equations. Hamiltonian systems have several conserved quantities, including the quadratic invariants of total energy and the $L_2$ norm of the distribution function. For accurate simulations one must ensure that these quadratic invariants are conserved by the discrete scheme. We show that using a discontinuous Galerkin scheme to evolve the distribution function and ensuring that the Hamiltonian lies in its continuous subspace leads to an energy-conserving scheme in the continuous-time limit. Further, the $L_2$ norm is conserved if central fluxes are used to update the distribution function, but decays monotonically when using upwind fluxes. The conservation of density and $L_2$ norm is then used to show that the entropy is a non-decreasing function of time. The proofs shown here apply to any Hamiltonian system, including ones in which the Poisson bracket operator is non-canonical (for example, the gyrokinetic equations). We demonstrate the ability of the scheme to solve the Vlasov--Poisson and incompressible Euler equations in 2D and provide references where we have applied these schemes to solve the much more complex 5D electrostatic and electromagnetic gyrokinetic equations.
In this paper, we first extend the micro-macro decomposition method for multiscale kinetic equations from the BGK model to general collisional kinetic equations, including the Boltzmann and the Fokker-Planck Landau equations. The main idea is to use a relation between the (numerically stiff) linearized collision operator with the nonlinear quadratic ones, the laters stiffness can be overcome using the BGK penalization method of Filbet and Jin for the Boltzmann, or the linear Fokker-Planck penalization method of Jin and Yan for the Fokker-Planck Landau equations. Such a scheme allows the computation of multiscale collisional kinetic equations efficiently in all regimes, including the fluid regime in which the fluid dynamic behavior can be correctly computed even without resolving the small Knudsen number. A distinguished feature of these schemes is that although they contain implicit terms, they can be implemented explicitly. These schemes preserve the moments (mass, momentum and energy) exactly thanks to the use of the macroscopic system which is naturally in a conservative form. We further utilize this conservation property for more general kinetic systems, using the Vlasov-Amp{e}re and Vlasov-Amp{e}re-Boltzmann systems as examples. The main idea is to evolve both the kinetic equation for the probability density distribution and the moment system, the later naturally induces a scheme that conserves exactly the moments numerically if they are physically conserved.
We develop new numerical schemes for Vlasov--Poisson equations with high-order accuracy. Our methods are based on a spatially monotonicity-preserving (MP) scheme and are modified suitably so that positivity of the distribution function is also preserved. We adopt an efficient semi-Lagrangian time integration scheme that is more accurate and computationally less expensive than the three-stage TVD Runge-Kutta integration. We apply our spatially fifth- and seventh-order schemes to a suite of simulations of collisionless self-gravitating systems and electrostatic plasma simulations, including linear and nonlinear Landau damping in one dimension and Vlasov--Poisson simulations in a six-dimensional phase space. The high-order schemes achieve a significantly improved accuracy in comparison with the third-order positive-flux-conserved scheme adopted in our previous study. With the semi-Lagrangian time integration, the computational cost of our high-order schemes does not significantly increase, but remains roughly the same as that of the third-order scheme. Vlasov--Poisson simulations on $128^3 times 128^3$ mesh grids have been successfully performed on a massively parallel computer.