Dislocation transport using a time-explicit Runge-Kutta discontinuous Galerkin finite element approach

Transport de dislocation à l'aide de l'approche Runge-Kutta discontinuous Galerkin d'éléments finis

Manas V Upadhyay (1) , Jérémy Bleyer (2)

1 LMS - Laboratoire de mécanique des solides
2 NAVIER UMR 8205 - Laboratoire Navier

A time-explicit Runge–Kutta discontinuous Galerkin (RKDG) finite element scheme is proposed to solve the dislocation transport initial boundary value problem in 3D. The dislocation density transport equation, which lies at the core of this problem, is a first-order unsteady-state advection–reaction-type hyperbolic partial differential equation; the DG approach is well suited to solve such equations that lack any diffusion terms. The development of the RKDG scheme follows the method of lines approach. First, a space semi-discretization is performed using the DG approach with upwinding to obtain a system of ordinary differential equations in time. Then, time discretization is performed using explicit RK schemes to solve this system. The 3D numerical implementation of the RKDG scheme is performed for the first-order (forward Euler), second-order and third-order RK methods using the strong stability preserving approach. These implementations provide (quasi-)optimal convergence rates for smooth solutions. A slope limiter is used to prevent spurious Gibbs oscillations arising from high-order space approximations (polynomial degree ⩾ 1) of rough solutions. A parametric study is performed to understand the influence of key parameters of the RKDG scheme on the stability of the solution predicted during a screw dislocation transport simulation. Then, annihilation of two oppositely signed screw dislocations and the expansion of a polygonal dislocation loop are simulated. The RKDG scheme is able to resolve the shock generated during dislocation annihilation without any spurious oscillations and predict the prismatic loop expansion with very low numerical diffusion. These results indicate that the proposed scheme is more robust and accurate in comparison to existing approaches based on the continuous Galerkin finite element method or the fast Fourier transform method.

Mots clés: Discontinuous Galerkin; Runge Kutta; finite elements; FEM; dislocation; transport; hyperbolic equations

Domaines: Mécanique des solides [physics.class-ph]; Science des matériaux [cond-mat.mtrl-sci]; Analyse fonctionnelle [math.FA]; Modélisation et simulation; Analyse numérique [cs.NA]; Mécanique des matériaux [physics.class-ph]

Manas V Upadhyay, Jérémy Bleyer. Dislocation transport using a time-explicit Runge-Kutta discontinuous Galerkin finite element approach. Modelling and Simulation in Materials Science and Engineering, 2022, ⟨10.1088/1361-651X/ac44a7⟩. ⟨hal-03466796⟩