Study and development of a software to simulate heteroepitaxial crystal growth
Abstract
Monte Carlo techniques were associated to molecular mechanics in order to take stress effects into account, and to simulate defect creation. The stress energy is limited to its bending part, which represents the most significant contribution to the total energy. A first version of a simulation program is available. Its capabilities include atomic displacements in the substrate as a consequence of stress relaxation on the surface, defect creation and annihilation, surface configuration, and spatial distribution of the stress.
- Publication:
-
Ph.D. Thesis
- Pub Date:
- 1988
- Bibcode:
- 1988PhDT.........7A
- Keywords:
-
- Computer Programming;
- Computerized Simulation;
- Crystal Defects;
- Crystal Growth;
- Epitaxy;
- Molecular Interactions;
- Order-Disorder Transformations;
- Residual Stress;
- Stress Relaxation;
- Solid-State Physics