Stability of a force-based hybrid method with planar sharp interface
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© 2014 Society for Industrial and Applied Mathematics.We study a force-based hybrid method that couples an atomistic model with a Cauchy-Born elasticity model with sharp transition interface. We identify stability conditions that guarantee the convergence of the hybrid scheme to the solution of the atomistic model with second order accuracy, as the ratio between lattice parameter and the characteristic length scale of the deformation tends to zero. Convergence is established for hybrid schemes with planar sharp interface for systems without defects, with general finite range atomistic potential and simple lattice structure. The key ingredients of the proof are regularity and stability analysis of elliptic systems of difference equations. We apply the results to atomistic-to-continuum scheme for a two-dimensional triangular lattice with planar interface.
Published Version (Please cite this version)10.1137/130904843
Publication InfoLu, Jianfeng; & Ming, P (2014). Stability of a force-based hybrid method with planar sharp interface. SIAM Journal on Numerical Analysis, 52(4). pp. 2005-2026. 10.1137/130904843. Retrieved from http://hdl.handle.net/10161/14098.
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Associate Professor of Mathematics
Jianfeng Lu is an applied mathematician interested in mathematical analysis and algorithm development for problems from computational physics, theoretical chemistry, materials science and other related fields.More specifically, his current research focuses include:Electronic structure and many body problems; quantum molecular dynamics; multiscale modeling and analysis; rare events and sampling techniques.