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Detection and Characterization of Structural Changes in the Hard-Disk Fluid Near Freezing/Melting Conditions
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SYSNO ASEP 0028735 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Ostatní články Title Detection and Characterization of Structural Changes in the Hard-Disk Fluid Near Freezing/Melting Conditions Title Detekce a charakterizace strukturních změn v systému tuhých disků v blízkosti podmínek tuhnutí/tání Author(s) Moučka, F. (CZ)
Nezbeda, Ivo (UCHP-M) RID, ORCID, SAISource Title Physical Review Letters. - : American Physical Society - ISSN 0031-9007
Roč. 94, - (2005), s. 406011-406013Number of pages 3 s. Language eng - English Country US - United States Keywords hard disc ; mc simulation Subject RIV CF - Physical ; Theoretical Chemistry CEZ AV0Z40720504 - UCHP-M (2005-2011) Annotation The fluid of two-dimensional hard disks is investigated over a range of densities by Monte Carlo simulations in order to detect and characterize structural changes which take place when the condition of freezing/melting is approached. We use the Voronoi tessellation and a certain shape factor which turns out to be a clear indicator of the presence of different underlying sub-structures (domains). Close to the freezing condition the probability distribution of the shape factor develops a second distinct maximum corresponding to a predominant presence of near-regular hexagons, whereas the original peak, having its origin primarily in pentagons and distorted hexagons, diminishes and disappears at melting density. Workplace Institute of Chemical Process Fundamentals Contact Eva Jirsová, jirsova@icpf.cas.cz, Tel.: 220 390 227 Year of Publishing 2006
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