The Uhlenbeck–Ford model in two dimensions: Reference system for fluid-phase free-energy calculations

DOI

<p>We investigate the Uhlenbeck--Ford (UF) model as a reference system for free-energy calculations in two-dimensional (2D) fluids. The 2D virial coefficients are computed exactly up to tenth order and combined with molecular simulation data to construct highly accurate numerical representations of the equation of state and the excess Helmholtz free energy. We then determine the phase diagram of the model in order to establish the thermodynamic stability limits of the fluid phase and thereby identify the range of applicability of the UF model as a fluid reference system. In the course of this analysis, we identify the solid, hexatic, and fluid phases, and show that the fluid remains the only thermodynamically stable phase, independent of density, for scaling parameters up to p<=70. Finally, we demonstrate the practical applicability of the 2D UF model as a reference system through thermodynamic integration calculations of the free energy of a two-dimensional Lennard--Jones fluid.</p>

Identifier
DOI https://doi.org/10.24435/materialscloud:vk-k0
Related Identifier https://doi.org/10.48550/arXiv.2607.23824
Related Identifier https://archive.materialscloud.org/communities/mcarchive
Related Identifier https://doi.org/10.24435/materialscloud:mp-he
Metadata Access https://archive.materialscloud.org/oai2d?verb=GetRecord&metadataPrefix=oai_dc&identifier=oai:materialscloud.org:ep0p2-qqt36
Provenance
Creator Cajahuaringa, Samuel; Paula Leite, Rodolfo; de Koning, Maurice
Publisher Materials Cloud
Publication Year 2026
Rights info:eu-repo/semantics/openAccess; Creative Commons Attribution 4.0 International; https://creativecommons.org/licenses/by/4.0/legalcode
OpenAccess true
Contact archive(at)materialscloud.org
Representation
Language English
Resource Type info:eu-repo/semantics/other
Format application/zip; application/octet-stream; text/x-python
Discipline Materials Science and Engineering