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Motivated by the inadequacy of conducting atomistic simulations of crack propagation using static boundary conditions that do not reflect the movement of the crack tip, we extend Sinclair's flexible boundary condition algorithm [J. E. Sinclair, Philos. Mag. 31, 647 (1975)PHMAA40031-808610.1080/14786437508226544] and propose a numerical-continuation-enhanced flexible boundary scheme, enabling full solution paths for cracks to be computed with pseudo-arclength continuation, and present a method for incorporating more detailed far-field in
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