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Abstract
In order to understand the atomic level crack propagation of silicon, we have proposed the hybridized molecular dynamics(TB-MD), being coupled with the linearly scaled tight-binding method and the ordinary MD with the empirical Tersoff potential. Double count of energy, caused by the so-called ghost forces in the patched region between the two, has been modified and the exacter total energy description has been given. In this paper, using the proposed hybridized computational method, we discuss the directionality propagations of the silicon (110) plane, which has been observed in the micro testings.
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