Coupling quantum and continuum scales to predict crack tip dislocation nucleation
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Derek H. Warner | William A. Curtin | Richard G. Hennig | R. Hennig | D. Warner | W. Curtin | A. Nair | Arun K. Nair
[1] G. Beltz,et al. The effect of crack blunting on the competition between dislocation nucleation and cleavage , 2001 .
[2] C. S. Hartley,et al. Characterization and visualization of the lattice misfit associated with dislocation cores , 2005 .
[3] P. Gumbsch,et al. Low-speed fracture instabilities in a brittle crystal , 2008, Nature.
[4] James B. Adams,et al. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method , 1993, cond-mat/9306054.
[5] J. Q. Broughton,et al. Concurrent coupling of length scales: Methodology and application , 1999 .
[6] L E Shilkrot,et al. Coupled atomistic and discrete dislocation plasticity. , 2002, Physical review letters.
[7] M. Ortiz,et al. An adaptive finite element approach to atomic-scale mechanics—the quasicontinuum method , 1997, cond-mat/9710027.
[8] G. Schoeck. The emission of dislocations from crack tips: A critical assessment , 2003 .
[9] C. Woodward,et al. Flexible Ab initio boundary conditions: simulating isolated dislocations in bcc Mo and Ta. , 2002, Physical review letters.
[10] Rajiv K. Kalia,et al. Environmental effects of H2O on fracture initiation in silicon: A hybrid electronic-density-functional/molecular-dynamics study , 2004 .
[11] James R. Rice,et al. Dislocation Nucleation from a Crack Tip" an Analysis Based on the Peierls Concept , 1991 .
[12] Efthimios Kaxiras,et al. From Electrons to Finite Elements: A Concurrent Multiscale Approach for Metals , 2005, cond-mat/0506006.
[13] H. V. Swygenhoven,et al. General-stacking-fault energies in highly strained metallic environments: Ab initio calculations , 2007 .
[14] Fujio Izumi,et al. VESTA: a three-dimensional visualization system for electronic and structural analysis , 2008 .
[15] Noam Bernstein,et al. Hybrid atomistic simulation methods for materials systems , 2009 .
[16] Hafner,et al. Ab initio molecular dynamics for open-shell transition metals. , 1993, Physical review. B, Condensed matter.
[17] Michael J. Mehl,et al. Interatomic potentials for monoatomic metals from experimental data and ab initio calculations , 1999 .