| Title: |
Structural dynamics of a model of amorphous silicon |
| Authors: |
Liu, Zihua; Panja, Debabrata; Barkema, Gerard T.; Sub Simulation of Complex Systems; Simulation of Complex Systems |
| Publication Year: |
2024 |
| Subject Terms: |
Amorphous silicon; Monte Carlo method; Stochastic process; Structural dynamics |
| Description: |
We perform extensive simulations and systematic statistical analyses on the structural dynamics of a model of amorphous silicon. The simulations follow the dynamics introduced by Wooten, Winer and Weaire: the energy is obtained with the Keating potential, and the dynamics consists of bond transpositions proposed at random locations and accepted with the Metropolis acceptance ratio. The structural quantities we track are the variations in time of the lateral lengths (Lx, Ly, Lz) of the cuboid simulation cell. We transform these quantities into the volume V and two aspect ratios B1 and B2. Our analysis reveals that at short times, the mean squared displacement (MSD) for all of them exhibits normal diffusion. At longer times, they cross over to anomalous diffusion (AD), with a temperature-dependent anomalous exponent α |
| Document Type: |
article in journal/newspaper |
| File Description: |
application/pdf |
| Language: |
English |
| ISSN: |
0378-4371 |
| Relation: |
https://dspace.library.uu.nl/handle/1874/472681 |
| Availability: |
https://dspace.library.uu.nl/handle/1874/472681 |
| Rights: |
info:eu-repo/semantics/OpenAccess |
| Accession Number: |
edsbas.9A33BED5 |
| Database: |
BASE |