Direct evaluation of free energy for large system through structure integration approach
2015
We propose a new approach, 'structure integration', enabling direct evaluation of configurational free energy for large systems. The present approach is based on the statistical information of lattice. Through first-principles-based simulation, we find that the present method evaluates configurational free energy accurately in disorder states above critical temperature.
Keywords:
- Correction
- Source
- Cite
- Save
- Machine Reading By IdeaReader
16
References
7
Citations
NaN
KQI