Results for hard sphere system
Fundamental-Measure Density Functional Theory Study of the Crystal-Melt Interface of the Hard Sphere System
... simulation results by only 10% 共V2PY ...simulation results than the T2CS version may be ex- plained as the ...interfacial system, all the system is considered to be the sol- idlike, with the ...
8
Anisotropic Interfacial Free Energies of the Hard-Sphere Crystal-Melt Interfaces
... ( 0.02)k B T/σ 2 . 12 This result is in good agreement with that predicted using Turnbull’s empirical relationship above. 7 How- ever, the method of measuring crystal nucleation rates cannot be used to determine the ...
5
Free Energy Calculations of Crystalline Hard Sphere Complexes Using Density Functional Theory
... binary hard sphere crystals. Our results of three stable hard sphere crystals (AB, AB 2 , and AB 13 ) which has been previously studied using simulations and experiments demonstrate the ...
9
Phase behavior of a hard sphere Maier-Saupe nematogenic system in three dimensions
... the latter instance the equilibrium points for high tempera- tures 共T * ⬎ 2.0兲 have been estimated from the NpT calcula- tions. At lower temperatures, when the isotropic-nematic and the gas-liquid transitions are ...
10
Anomalous heat transport in binary hard-sphere gases
... significant system-size dependence in the NEMD results. To explore this system-size dependence, the wall temperatures are held fixed while the aspect ratio l k /l ⊥ and system size are varied ...
14
Transport properties of highly asymmetric hard-sphere mixtures
... the system 关 see ...BMCSL results 关see ...simulation results 关see ...component hard-sphere systems, the Enskog theory is known to underpredict the viscosity at high densities 51 due to ...
10
A MATHEMATICAL MODEL FOR THE HARD SPHERE REPULSION IN IONIC SOLUTIONS
... these results is presented in the right-hand side panel of Figure ...PNP system without any finite size effects for ...the results, both numerical solutions to PNP with LJ repulsive potential and ...
17
A MATHEMATICAL MODEL FOR THE HARD SPHERE REPULSION IN IONIC SOLUTIONS
... these results is presented in the right-hand side panel of Figure ...PNP system without any finite size effects for ...the results, both numerical solutions to PNP with LJ repulsive potential and ...
15
Unsteady shear flows of colloidal hard-sphere suspensions by dynamic simulation
... noted system size dependence of ...near-equilibrium results; these show that the Smoluchowski theory accurately predicts the shear stress of the BD system in the near-equilibrium case and the ...
26
Theoretical Studies of the Correlations in Moderately Asymmetric Binary Hard-Sphere Solid Mixtures
... of hard spheres 共HS兲 关1兴. In general, the results obtained by the DFT are very accurate, usually within a few percent when compared with the ones from computer ...reference system plus a perturbative ...
10
Double diamond phase in pear shaped nanoparticle systems with hard sphere solvent
... a hard-sphere ‘solvent’ is added. Our results are based on previous work that showed the emergence of the Gyroid Ia3d phase in a pure system of pear-shaped particles [Interface Focus 7, ...
8
The structure of strongly dipolar hard sphere fluids with extended dipoles by Monte Carlo simulations
... these results imply that the molecules of strongly dipolar fluids – especially if we model them with partial charges located at certain sites – tend to associate into local structures like ...
20
SURFACES OF HARD-SPHERE SYSTEMS
... homogeneous system of hard spheres with random radii is intersected by a plane and the surface is formed by the spheres with centers close to this ...the sphere caps that are located above the ...
5
The hard sphere view of the outer core
... The hard sphere model for liquids attempts to capture the physical behavior of a real liquid in a simple conceptual model: a fluid of fixed size spheres that only interact repulsively when they come into ...
11
Defects in Hard-Sphere Colloidal Crystals
... Terms of Use This article was downloaded from Harvard University's DASH repository, and is made available under the terms and conditions applicable to Other Posted Material, as set forth[r] ...
169
Density functional theory of charged, hard-sphere fluids
... Thus both major sources of errors are minimized when the RFD functional is chosen to make ⌬ j (x ⬘ ) as small as possible. Like many others 关 5– 8 兴 , we use the MSA formulation because of its analytic results ...
10
From sticky-hard-sphere to Lennard-Jones-type clusters.
... Two sets of structures are obtained from our optimiza- tion procedure: the first set contains all possible LJ minima M LJ from the basin-hopping algorithm, while the second set M SHS→LJ contains the LJ minima obtained ...
10
Thermodynamics of d-dimensional hard sphere fluids confined to micropores
... d-dimensional hard sphere fluids confined to slit pores by applying Speedy and Reiss’ interpretation of cavity ...exclusion sphere confined to a slit ...the results are compared with ...
11
Characterization of mono- and divacancy in fcc and hcp hard-sphere crystals
... To obtain P acc 共v兲, we introduce a divacancy in the sys- tem and perform the insertion trial into a NN vacancy. For P rem 共v兲, a monovacancy is introduced and the probability of a NN particle, which happens to be in v, ...
7
Orientational and phase coexistence behaviour of hard rod sphere mixtures
... net sphere displacement greater than the simulation box side, these systems were certainly not ...the results from the 50:50 system simulations, phase separation would have been expected at about the ...
16