Editing Uhlenbeck-Ford model
Jump to navigation
Jump to search
The edit can be undone. Please check the comparison below to verify that this is what you want to do, and then publish the changes below to finish undoing the edit.
Latest revision | Your text | ||
Line 83: | Line 83: | ||
== Reference system == | == Reference system == | ||
The UFM can be used as a reference system for fluid-phase free-energy calculations. Examples of these kind of calculations using [[thermodynamic integration]] techniques for different natures of fluid description (Lennard-Jones | The UFM can be used as a reference system for fluid-phase free-energy calculations. Examples of these kind of calculations using [[thermodynamic integration]] techniques for different natures of fluid description ([[Lennard-Jones model |Lennard-Jones]] and [[Stillinger-Weber potential | Stillinger-Weber]]) can be found in Paula Leite ''et al''. paper <ref name="JCP"></ref>. Recently, water-like models using the UF model as an interacting potential were reported and added on LAMMPS source-code. The respective publication <ref name="CMS">[https://doi.org/10.1016/j.commatsci.2018.12.029 R. Paula Leite, and M. de Koning "Nonequilibrium free-energy calculations of fluids using LAMMPS", Computational Material Science '''159''', 316-326 (2019).]</ref> and a complete guide <ref name="FFE">[https://github.com/plrodolfo/FluidFreeEnergyforLAMMPS]</ref> are available on reference section. The typical values for <math>p</math> are <math>50 \sim 100.</math>. | ||
==References== | ==References== |