This paper is a continuation of our earlier work [SIAM J. Sci. Comput., 32(2010), pp. 2875–2907] in which a numerical moment method with arbitrary order of moments was presented. However, the computation may break down during the calculation of the structure of a shock wave with Mach number M₀≥3. In this paper, we concentrate on the regularization of the moment systems. First, we apply the Maxwell iteration to the infinite moment system and determine the magnitude of each moment with respect to the Knudsen number. After that, we obtain the approximation of high order moments and close the moment systems by dropping some high-order terms. Linearization is then performed to obtain a very simple regularization term, thus it is very convenient for numerical implementation. To validate the new regularization, the shock structures of low order systems are computed with different shock Mach numbers. 

This paper establishes relations between the stability and the high-order truncated corrections for modeling of the mass conservation equation with the two-relaxation-times (TRT) collision operator. First we propose a simple method to derive the truncation errors from the exact, central-difference type, recurrence equations of the TRT scheme. They also supply its equivalent three-time-level discretization form. Two different relationships of the two relaxation rates nullify the third (advection) and fourth (pure diffusion) truncation errors, for any linear equilibrium and any velocity set. However, the two relaxation times alone cannot remove the leading-order advection-diffusion error, because of the intrinsic fourth-order numerical diffusion. The truncation analysis is carefully verified for the evolution of concentration waves with the anisotropic diffusion tensors. The anisotropic equilibrium functions are presented in a simple but general form, suitable for the minimal velocity sets and the d2Q9, d3Q13, d3Q15 and d3Q19 velocity sets. All anisotropic schemes are complemented by their exact necessary von Neumann stability conditions and equivalent finite-difference stencils. The sufficient stability conditions are proposed for the most stable (OTRT) family, which enables modeling at any Peclet numbers with the same velocity amplitude. The heuristic stability analysis of the fourth-order truncated corrections extends the optimal stability to larger relationships of the two relaxation rates, in agreement with the exact (one-dimensional) and numerical (multi-dimensional) stability analysis. A special attention is put on the choice of the equilibrium weights. By combining accuracy and stability predictions, several strategies for selecting the relaxation and free-tunable equilibrium parameters are suggested and applied to the evolution of the Gaussian hill.

In this paper, the high-order space-time discontinuous Galerkin cell vertex scheme (DG-CVS) developed by the authors for hyperbolic conservation laws is extended for time dependent diffusion equations. In the extension, the treatment of the diffusive flux is exactly the same as that for the advective flux. Thanks to the Riemann-solver-free and reconstruction-free features of DG-CVS, both the advective flux and the diffusive flux are evaluated using continuous information across the cell interface. As a result, the resulting formulation with diffusive fluxes present is still consistent and does not need any extra ad hoc techniques to cure the common "variational crime" problem when traditional DG methods are applied to diffusion problems. For this reason, DG-CVS is conceptually simpler than other existing DG-typed methods. The numerical tests demonstrate that the convergence order based on the L²-norm is optimal, i.e. O(h^p+1) for the solution and O(h^p) for the solution gradients, when the basis polynomials are of odd degrees. For even-degree polynomials, the convergence order is sub-optimal for the solution and optimal for the solution gradients. The same odd-even behaviour can also be seen in some other DG-typed methods.

In this paper we show that entropy can be used within a functional for the stress relaxation time of solid materials to parametrise finite viscoplastic strain-hardening deformations. Through doing so the classical empirical recovery of a suitable irreversible scalar measure of work-hardening from the three-dimensional state parameters is avoided. The success of the proposed approach centres on determination of a rate-independent relation between plastic strain and entropy, which is found to be suitably simplistic such to not add any significant complexity to the final model. The result is sufficiently general to be used in combination with existing constitutive models for inelastic deformations parametrised by one-dimensional plastic strain provided the constitutive models are thermodynamically consistent. Here a model for the tangential stress relaxation time based upon established dislocation mechanics theory is calibrated for OFHC copper and subsequently integrated within a two-dimensional moving-mesh scheme. We address some of the numerical challenges that are faced in order to ensure successful implementation of the proposed model within a hydrocode. The approach is demonstrated through simulations of flyer-plate and cylinder impacts.

A cluster dynamics model based on rate theory has been developed to describe the accumulation and diffusion processes of helium in tungsten under helium implantation alone or synergistic irradiation with neutron, by involving different types of objects, adopting up-to-date parameters and complex reaction processes as well as considering the diffusion process along with depth. The calculated results under different conditions are in good agreement with experiments much well. The model describes the behavior of helium in tungsten within 2D space of defect type/size and depth on different ions incident conditions (energies and fluences) and material conditions (system temperature and existent sinks), by including the synergistic effect of helium-neutron irradiations and the influence of inherent sinks (dislocation lines and grain boundaries). The model, coded as IRadMat, would be universally applicable to the evolution of defects for ions/neutron irradiated on plasma-facing materials.

In this paper, a lattice Boltzmann BGK (LBGK) model is proposed for simulating incompressible axisymmetric flows. Unlike other existing axisymmetric lattice Boltzmann models, the present LBGK model can eliminate the compressible effects only with the small Mach number limit. Furthermore, the source terms of the model are simple and contain no velocity gradients. Through the Chapman-Enskog expansion, the macroscopic equations for incompressible axisymmetric flows can be exactly recovered from the present LBGK model. Numerical simulations of the Hagen-Poiseuille flow, the pulsatile Womersley flow, the flow over a sphere, and the swirling flow in a closed cylindrical cavity are performed. The results agree well with the analytic solutions and the existing numerical or experimental data reported in some previous studies.

In this work the one-band effective Hamiltonian governing the electronic states of a quantum dot/ring in a homogenous magnetic field is used to derive a pair/quadruple of nonlinear eigenvalue problems corresponding to different spin orientations and in case of rotational symmetry additionally to quantum number ±ℓ. We show, that each of those pair/quadruple of nonlinear problems allows for the min-max characterization of its eigenvalues under certain conditions, which are satisfied for our examples and the common InAs/GaAs heterojunction. Exploiting the minmax property we devise efficient iterative projection methods simultaneously handling the pair/quadruple of nonlinear problems and thereby saving up to 40% of the computational time as compared to the nonlinear Arnoldi method applied to each of the problems separately. 

We simulate the particle transport in a thin film deposition process made by PVD (physical vapor deposition) and present several models for projectile and target collisions in order to compute the mean free path and the differential cross section (angular distribution of scattered projectiles) of the scattering process. A detailed description of collision models is of the highest importance in Monte Carlo simulations of high power impulse magnetron sputtering and DC sputtering. We derive an equation for the mean free path for arbitrary interactions (cross sections) that includes the relative velocity between the particles. We apply our results to two major interaction models: hard sphere interaction & screened Coulomb interaction. Both types of interaction separate DC sputtering from HIPIMS. 

We present a well-posed and discretely stable perfectly matched layer for the anisotropic (and isotropic) elastic wave equations without first re-writing the governing equations as a first order system. The new model is derived by the complex coordinate stretching technique. Using standard perturbation methods we show that complex frequency shift together with a chosen real scaling factor ensures the decay of eigen-modes for all relevant frequencies. To buttress the stability properties and the robustness of the proposed model, numerical experiments are presented for anisotropic elastic wave equations. The model is approximated with a stable node-centered finite difference scheme that is second order accurate both in time and space.

The symmetric energy-conserved splitting FDTD scheme developed in [1] is a very new and efficient scheme for computing the Maxwell's equations. It is based on splitting the whole Maxwell's equations and matching the x-direction and y-direction electric fields associated to the magnetic field symmetrically. In this paper, we make further study on the scheme for the 2D Maxwell's equations with the PEC boundary condition. Two new energy-conserved identities of the symmetric EC-S-FDTD scheme in the discrete H¹-norm are derived. It is then proved that the scheme is unconditionally stable in the discrete H¹-norm. By the new energy-conserved identities, the super-convergence of the symmetric EC-S-FDTD scheme is further proved that it is of second order convergence in both time and space steps in the discrete H¹-norm. Numerical experiments are carried out and confirm our theoretical results.

In this paper, a reduced morphological transformation model with spatially dependent composition and elastic modulus is considered. The parareal in time algorithm introduced by Lions et al. is developed for longer-time simulation. The fine solver is based on a second-order scheme in reciprocal space, and the coarse solver is based on a multi-model backward Euler scheme, which is fast and less expensive. Numerical simulations concerning the composition with a random noise and a discontinuous curve are performed. Some microstructure characteristics at very low temperature are obtained by a variable temperature technique.