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Kwak, Sang Kyu
Kyu’s MolSim Lab @ UNIST
Research Interests
  • Molecular modeling and simulation, statistical thermodynamics, molecular physics


On the freezing and structure of hard spheres under spherical confinement

DC Field Value Language Huang, Huan Cong ko Yoon, Yong Jin ko Kwak, Sang Kyu ko 2014-04-10T01:33:12Z - 2013-07-04 ko 2013-11 ko
dc.identifier.citation MOLECULAR PHYSICS, v.111, no.21, pp.3283 - 3288 ko
dc.identifier.issn 0026-8976 ko
dc.identifier.uri -
dc.description.abstract The equation of state and the structure of hard spheres confined in spherical pores have been investigated via molecular dynamics for different pore radii ranging from 5.0 to 10.0 σ, where σ is the particle diameter. The hard boundary is chosen to capture the pure geometric effect of spherical confinement. A discontinuity in the equation of state was observed, indicating the onset of a freezing-like phase transition, which was similar to that of the bulk hard-sphere fluids. The behaviour of confined particles resembles that of the bulk with increase in the pore size, while its deviation from the bulk is found to be larger at the solid-like phase. For the pore radius below 5.0, FCC-like crystal clusters are not formed in spherically confined hard spheres. ko
dc.description.statementofresponsibility close -
dc.language 영어 ko
dc.publisher TAYLOR & FRANCIS LTD ko
dc.title On the freezing and structure of hard spheres under spherical confinement ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-84887820158 ko
dc.identifier.wosid 000328128600013 ko
dc.type.rims ART ko
dc.description.wostc 0 *
dc.description.scopustc 0 * 2014-10-18 * 2014-07-12 *
dc.identifier.doi 10.1080/00268976.2013.781694 ko
dc.identifier.url ko
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