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PredicateObject
rdf:type
lifeskim:mentions
pubmed:issue
19
pubmed:dateCreated
2011-3-9
pubmed:abstractText
We present an extended analysis of the wavevector dependent shear viscosity of monatomic and diatomic (liquid chlorine) fluids over a wide range of wavevectors and for a variety of state points. The analysis is based on equilibrium molecular dynamics simulations, which involve the evaluation of transverse momentum density and shear stress autocorrelation functions. For liquid chlorine we present the results in both atomic and molecular formalisms. We find that the viscosity kernel of chlorine in the atomic representation is statistically indistinguishable from that in the molecular representation. The results further suggest that the real space viscosity kernels of monatomic and diatomic fluids depend sensitively on the density, the potential energy function and the choice of fitting function in reciprocal space. It is also shown that the reciprocal space shear viscosity data can be fitted to two different simple functional forms over the entire density, temperature and wavevector range: a function composed of n-Gaussian terms and a Lorentzian-type function. Overall, the real space viscosity kernel has a width of 3-6 atomic diameters, which means that the generalized hydrodynamic constitutive relation is required for fluids with strain rates that vary nonlinearly over distances of the order of atomic dimensions.
pubmed:language
eng
pubmed:journal
pubmed:citationSubset
IM
pubmed:chemical
pubmed:status
MEDLINE
pubmed:month
May
pubmed:issn
1361-648X
pubmed:author
pubmed:issnType
Electronic
pubmed:day
19
pubmed:volume
22
pubmed:owner
NLM
pubmed:authorsComplete
Y
pubmed:pagination
195105
pubmed:meshHeading
pubmed:year
2010
pubmed:articleTitle
An extended analysis of the viscosity kernel for monatomic and diatomic fluids.
pubmed:affiliation
Centre for Molecular Simulation, Swinburne University of Technology, Hawthorn, Victoria, Australia.
pubmed:publicationType
Journal Article