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Concurrent atomistic and continuum simulation of bi-crystal strontium titanate with tilt grain boundary
In this paper, we present the development of a concurrent atomistic–continuum (CAC) methodology for simulation of the grain boundary (GB) structures and their interaction with other defects in ionic materials. Simulation results show that the CAC simulation allows a smooth passage of cracks through...
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| Publicado no: | Proc Math Phys Eng Sci |
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| Main Authors: | , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
The Royal Society Publishing
2015
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4353054/ https://ncbi.nlm.nih.gov/pubmed/25792957 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1098/rspa.2014.0758 |
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