Nonlinear Hydrodynamics of a Hard Sphere Fluid Near the Glas(10)
发布时间:2021-06-08
发布时间:2021-06-08
We conduct a numerical study of the dynamic behavior of a dense hard sphere fluid by deriving and integrating a set of Langevin equations. The statics of the system is described by a free energy functional of the Ramakrishnan-Yussouff form. We find that th
thedecayofS(q,t)occursatrelativelylowerdensitiesforwavevectorsclosetothe rstandsecondpeaksinthestaticstructurefactor.Thisresultclearlyillustratestheimportantroleplayedbytheequilibriumstructureinthelong-timedynamicsoftheliquid.Theobservedq-dependenceofthedecayofS(q,t)alsosuggeststhattheglassybehaviorsetsinearlier(atlowerdensities)atshorterlengthscales.Finally,thesystemisfoundto uctuateabouttheliquid-stateminimumofthemean eldfreeenergyinalloursimulations.
Therestofthepaperisorganizedasfollows.SectionIIcontainsadescriptionofthemodelconsideredbyus.We rstde nethemodel,discussitsstaticsandderivetheappropriateNFHequations.Byde ningappropriateunitsoflength,timeandmass,theseequationsarethenwrittenindimensionlessform.ThemethodusedbyustointegratetheseequationsforwardintimeisdescribedinSectionIII.WealsodiscussinthisSectionthephysicalquantitiesmeasured,thedatacollectionprocedure,testsofequilibrationandotherrelatedmatters.TheresultsobtainedfromthenumericalworkaredescribedindetailinSectionIV.WealsocompareandcontrastourresultswiththoseobtainedfromMDsimulationsofthehard-sphereandsimilarsystemsandthepredictionsofMCtheories.
II.THEMODEL
WehaveexplainedintheIntroductionthatwewillanalyzethenumericalsolutionofasetofLangevinequationsappropriatetoadensehard-sphere uid.Webeginherebydiscussingthestaticsofthemodel.Thesearegivenintermsofafreeenergywhichisafunctionalofthetwo eldsintheproblem:thedensity eldρ(r,t)andthecurrent eldg(r,t).Thisfreeenergyhastwoterms:
g2
FTot[ρ,g]=(m0/2)dr
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