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A density of states-based approach to determine temperature-dependent aggregation rates.
- Source :
-
Journal of Chemical Physics . 8/7/2024, Vol. 161 Issue 5, p1-5. 5p. - Publication Year :
- 2024
-
Abstract
- Here, we establish an approach to determine temperature-dependent aggregation rates in terms of thermostatistical quantities, which can be obtained directly from flat-histogram and statistical temperature algorithms considering the density of states of the system. Our approach is validated through simulations of an Ising-like model with anisotropically interacting particles at temperatures close to its first-order phase transition. Quantitative comparisons between the numerically obtained forward and reverse rates to approximate analytical expressions corroborate its use as a model-independent approach. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 00219606
- Volume :
- 161
- Issue :
- 5
- Database :
- Academic Search Index
- Journal :
- Journal of Chemical Physics
- Publication Type :
- Academic Journal
- Accession number :
- 178879272
- Full Text :
- https://doi.org/10.1063/5.0221950