Traction boundary conditions for molecular static simulations
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Abstract: This paper presents a consistent approach to prescribe traction boundary conditions in atomistic models. Due to the typical multiple-neighbor interactions, finding an appropriate boundary condition that models a desired traction is a non-trivial task. We first present a one-dimensional example, which demonstrates how such boundary conditions can be formulated. We further analyze the stability, and derive its continuum limit. We also show how the boundary conditions can be extended to higher dimensions with an application to a dislocation dipole problem under shear stress.
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Cited in
(4)- Numerical boundary treatment for shock propagation in the fractional KdV-Burgers equation
- Accurate boundary treatment for Riesz space fractional diffusion equations
- Variational boundary conditions for molecular dynamics simulations: treatment of the loading condition
- Existence and convergence of solutions of the boundary value problem in atomistic and continuum nonlinear elasticity theory
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