Defect-induced crystal-to-amorphous transition in an atomistic simulation model
Abstract
Molecular dynamics simulations of insertion of self-interstitials into a single fcc crystal reveal a crystal-to-amorphous transition which is dependent upon both insertion rate and defect concentration accumulation. The resulting amorphous structure is found to be similar to that of a rapidly quenched liquid. In terms of elastic properties, amorphization brings about a further decrease in C11 and C44 relative to a defective crystal.
- Publication:
-
Physical Review Letters
- Pub Date:
- December 1987
- DOI:
- 10.1103/PhysRevLett.59.2760
- Bibcode:
- 1987PhRvL..59.2760H
- Keywords:
-
- 61.20.Ja;
- 61.40.+b;
- 61.80.Jh;
- 62.20.Dc;
- Computer simulation of liquid structure;
- Ion radiation effects;
- Elasticity elastic constants