{"paper":{"title":"Free energies of molecular clusters determined by guided mechanical disassembly","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.atm-clus","physics.chem-ph"],"primary_cat":"cond-mat.stat-mech","authors_text":"Hoi Yu Tang, Ian J. Ford","submitted_at":"2015-01-30T15:00:13Z","abstract_excerpt":"The excess free energy of a molecular cluster is a key quantity in models of the nucleation of droplets from a metastable vapour phase; it is often viewed as the free energy arising from the presence of an interface between the two phases. We show how this quantity can be extracted from simulations of the mechanical disassembly of a cluster using guide particles in molecular dynamics. We disassemble clusters ranging in size from 5 to 27 argon-like Lennard-Jones atoms, thermalised at 60 K, and obtain excess free energies, by means of the Jarzynski equality, that are consistent with previous stu"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1501.07793","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}