Identifying Possible Slip Systems of Molecular Crystals via a Geometry-Based Procedure
Xudong He,
Zengming Zhang,
Chaoyang Zhang
et al.
Abstract:Crystal plasticity is achieved primarily through slipping.
Here,
a geometry-based procedure is developed to facilitate the identification
of slip systems in arbitrarily oriented three-dimensional periodic
molecular crystals. The procedure requires a molecular crystal structure
as the only input, and a steric hindrance parameter denoted as the
maximum atom overlap factor (MAOF) is used to quantify the steric
hindrance experienced along a specific slip direction. Slip direction
with the lowest MAOF is considered… Show more
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