Amorphization in alpha-boron: A molecular dynamics study

PA Pokatashkin and PY Korotaev and AV Yanilkin, PHYSICAL REVIEW B, 95, 064113 (2017).

DOI: 10.1103/PhysRevB.95.064113

Thin amorphous bands are often thought to be the cause of drastic change of properties in boron-based ceramics. We investigate possible mechanisms of amorphization by performing a large-scale molecular dynamics study of defect formation in alpha-boron. Activation of the 101/( 010) slipping system leads to the nanotwin formation. We found no evidence that the nanotwin can become amorphous; it remains stable at high pressures and temperatures. However, inherent plastic deformation leads to local increasing of density that is the precursor of so-called amorphization.

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