Proceedings of the 2015 International Conference on Modeling, Simulation and Applied Mathematics

Improved Fast Time Reversible Algorithm and Its Applications to Large-Scale Simulation of Ice

Authors
Yasuhiro Kajima, Shuji Ogata
Corresponding Author
Yasuhiro Kajima
Available Online August 2015.
DOI
https://doi.org/10.2991/msam-15.2015.46How to use a DOI?
Keywords
simulation algorithm; rigid body; rotation; time reversible; molecular dynamics; quasi liquid layer
Abstract
A time-reversible algorithm for the rotation of rigid body in the quaternion representation named “Improved Fast Time-reversible algorithm (IFT)” is proposed. In a preceding paper, we have proposed “Fast Time-reversible algorithm (FT)” that is not only time reversible but also conserves the total energy well and one of the simplest time reversible ones. However, the algorithm involves a square root, which yields the risk of computer crash at extreme high temperatures. The IFT gets rid of the risk of crash and the stability is no less than the Fast Time-reversible algorithm. The IFT can be used more widely than FT. We also introduce some results concerning quasi liquid layer obtained from large-scale simulations. The simulations were performed by the use of IFT algorithm.
Open Access
This is an open access article distributed under the CC BY-NC license.

Download article (PDF)

Proceedings
Part of series
Advances in Intelligent Systems Research
Publication Date
August 2015
ISBN
978-94-6252-104-9
ISSN
1951-6851
DOI
https://doi.org/10.2991/msam-15.2015.46How to use a DOI?
Open Access
This is an open access article distributed under the CC BY-NC license.

Cite this article

TY  - CONF
AU  - Yasuhiro Kajima
AU  - Shuji Ogata
PY  - 2015/08
DA  - 2015/08
TI  - Improved Fast Time Reversible Algorithm and Its Applications to Large-Scale Simulation of Ice
PB  - Atlantis Press
SP  - 205
EP  - 208
SN  - 1951-6851
UR  - https://doi.org/10.2991/msam-15.2015.46
DO  - https://doi.org/10.2991/msam-15.2015.46
ID  - Kajima2015/08
ER  -