Numerical Methods for Continuum Mechanics with Nonlocal Interactions: Weak Form Peridynamics and Nanoscale Strain Engineering

Abstract

Nonlocal interactions raise numerical challenges such as high computational cost and geometric complexity. In the context of continuum mechanics, this thesis studies numerical methods for two nonlocal problems: weak form peridynamics and nanoscale strain engineering.Unlike the classical local theory, the weak formulation of peridynamics involves a double integral and the additional integral operator needs an efficient quadrature rule. For this reason, the thesis investigates convergence behaviours of a promising quadrature rule based on Generalized Moving Least Squares (GMLS) when applied to the double integral. For uniform discretizations, second-order convergence is observed with a mesh extension for global symmetrical inner quadrature. For non-uniform discretizations, a proposed strategy for symmetrically placing inner quadrature points shows decaying second-order convergence, while increasing the number of outer quadrature points leads to a more persistent convergence behaviour. Numerical tests in 1D demonstrate the above properties and 2D tests show consistent behaviours.Nanoscale strain engineering aims at tuning the electronic properties of a semiconductor by modulating its nanoscale stain field, and the nonlocal interaction through Van der Waals forces is a possible mechanism for the modulation. To better understand the interaction process, based on the Lennard-Jones (LJ) model, the thesis builds a continuum model to simulate nonlocal interactions between a monolayer MoS2 and a multihole Si3N4 substrate. A low-dimensional model is first built as a proof of concept before considering the real problem. The monolayer MoS2 is then modeled by a Kirchhoff–Love shell while the integration of LJ potential over the substrate is approximated by a Riemann sum in a finite range and optimized using octrees. An alternative approach based on a semi-infinite integral is proposed for the integration over curved substrates, as a preliminary study for future work

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