Publication: Phase-space invariants as indicators of the critical behavior of nanoaggregates
dc.contributor.coauthor | Aquilanti, V. | |
dc.contributor.coauthor | Lombardi, A. | |
dc.contributor.coauthor | Sevryuk, M.B. | |
dc.contributor.department | Department of Chemistry | |
dc.contributor.kuauthor | Yurtsever, İsmail Ersin | |
dc.contributor.schoolcollegeinstitute | College of Sciences | |
dc.date.accessioned | 2024-11-09T12:31:37Z | |
dc.date.issued | 2004 | |
dc.description.abstract | A phase-space approach is proposed for molecular dynamics simulations, which serve as a bridge between detailed descriptions of microscopic world and macroscopic properties of matter. The introduction-aside from the angular momentum of spatial rotations-of other "hyperangular" momenta (the overall grand angular momentum of a cluster of particles and those describing the deformation and rearrangement modes) permits one to analyze different degrees of freedom and to extract, from simulation data, a kinetic energy partition in terms of phase-space invariants. Model calculations illustrate how these provide specific signatures of critical behavior, such as energy thresholds for openings of chaotic pathways in small clusters and for phase transitions in nanoaggregates. | |
dc.description.fulltext | YES | |
dc.description.indexedby | Scopus | |
dc.description.issue | 11 | |
dc.description.openaccess | YES | |
dc.description.publisherscope | International | |
dc.description.sponsoredbyTubitakEu | N/A | |
dc.description.sponsorship | European Union through the COST D9 Action and the Human Potential Research Network Theoretical Studies of Electronic and Molecular Processes in Molecules and Clusters | |
dc.description.sponsorship | MIUR | |
dc.description.sponsorship | ENEA | |
dc.description.sponsorship | ASI | |
dc.description.sponsorship | Turkish Academy of Sciences (TÜBA) | |
dc.description.version | Publisher version | |
dc.description.volume | 93 | |
dc.identifier.doi | 10.1103/PhysRevLett.93.113402 | |
dc.identifier.eissn | 1079-7114 | |
dc.identifier.embargo | NO | |
dc.identifier.filenameinventoryno | IR00804 | |
dc.identifier.issn | 0031-9007 | |
dc.identifier.quartile | Q1 | |
dc.identifier.scopus | 2-s2.0-19644373120 | |
dc.identifier.uri | https://doi.org/10.1103/PhysRevLett.93.113402 | |
dc.keywords | Potential-Energy Surfaces | |
dc.keywords | Molecular-Dynamics | |
dc.keywords | Kinematic Rotations | |
dc.keywords | Polyatomic Systems | |
dc.keywords | Clusters | |
dc.keywords | Transitions | |
dc.keywords | Chaos | |
dc.language.iso | eng | |
dc.publisher | American Physical Society (APS) | |
dc.relation.grantno | HPRN-CT99-00005 | |
dc.relation.ispartof | Physical Review Letters | |
dc.relation.uri | http://cdm21054.contentdm.oclc.org/cdm/ref/collection/IR/id/811 | |
dc.subject | Physics, Multidisciplinary | |
dc.title | Phase-space invariants as indicators of the critical behavior of nanoaggregates | |
dc.type | Journal Article | |
dspace.entity.type | Publication | |
local.contributor.kuauthor | Yurtsever, İsmail Ersin | |
local.publication.orgunit1 | College of Sciences | |
local.publication.orgunit2 | Department of Chemistry | |
relation.isOrgUnitOfPublication | 035d8150-86c9-4107-af16-a6f0a4d538eb | |
relation.isOrgUnitOfPublication.latestForDiscovery | 035d8150-86c9-4107-af16-a6f0a4d538eb | |
relation.isParentOrgUnitOfPublication | af0395b0-7219-4165-a909-7016fa30932d | |
relation.isParentOrgUnitOfPublication.latestForDiscovery | af0395b0-7219-4165-a909-7016fa30932d |
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