Abstract
It has been demonstrated that grain boundary formation from the melt can be simulated by the molecular dynamics method. The space between two mutually-misoriented crystal slabs was filled with atoms in a random manner and this liquid was then cooled until crystallization occurred. The general features of the resulting grain boundary are found to depend on the temperature and on the pressure applied to the outer crystal face.
Original language | English |
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Journal | Philosophical Magazine |
Volume | 30 |
Issue number | 2 |
Pages (from-to) | 265-275 |
ISSN | 0031-8086 |
DOIs | |
Publication status | Published - 1974 |