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Title: Subjamming transition in binary sphere mixtures

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1409452
Grant/Contract Number:
SC0001087
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Volume: 96; Journal Issue: 5; Related Information: CHORUS Timestamp: 2017-11-20 10:09:04; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Prasad, Ishan, Santangelo, Christian, and Grason, Gregory. Subjamming transition in binary sphere mixtures. United States: N. p., 2017. Web. doi:10.1103/PhysRevE.96.052905.
Prasad, Ishan, Santangelo, Christian, & Grason, Gregory. Subjamming transition in binary sphere mixtures. United States. doi:10.1103/PhysRevE.96.052905.
Prasad, Ishan, Santangelo, Christian, and Grason, Gregory. 2017. "Subjamming transition in binary sphere mixtures". United States. doi:10.1103/PhysRevE.96.052905.
@article{osti_1409452,
title = {Subjamming transition in binary sphere mixtures},
author = {Prasad, Ishan and Santangelo, Christian and Grason, Gregory},
abstractNote = {},
doi = {10.1103/PhysRevE.96.052905},
journal = {Physical Review E},
number = 5,
volume = 96,
place = {United States},
year = 2017,
month =
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 20, 2018
Publisher's Accepted Manuscript

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  • Free energies and correlation functions of liquid and solid hard-sphere (HS) mixtures are calculated using the fundamental measure density functional theory. Using the thermodynamic perturbation theory the free energies of solid and liquid Lennard-Jones (LJ) mixtures are obtained from correlation functions of HS systems within a single theoretical approach. The resulting azeotrope- and spindle-type solid-liquid phase diagrams of HS and LJ binary mixtures are in good agreement with the corresponding ones from computer simulations.
  • A theoretical approach to calculate the correlation functions in binary hard-sphere (HS) solid mixtures is developed. The method is motivated by the theory of correlations in one-component HS solids [Rascon et al., Phys. Rev. E 54, 1261 (1996)] and the Kirkwood-Buff theory for solutions. Combined with the fundamental measure density functional theory the approach provides correlation functions in good agreement with the numerical simulations results for the moderately asymmetric mixtures.
  • The mutual diffusion constant of a binary mixture of equal diameter hard spheres is estimated using the method of molecular dynamics. The mixture considered is equimolar, with a species mass ratio of ten to one in a volume that is three times the close-packed volume. Two molecular dynamics methods are used: the standard Green-Kubo technique based on the evaluation of equilibrium velocity correlation functions, and a nonequilibrium method that generates a steady diffusive flow along a composition gradient by imposing special boundary conditions on two opposing faces of the cubic volume. We find that both methods yield, within about 3%,more » the same value of the diffusion coefficient.« less
  • We study the reversible aggregation of polystyrene latex spheres (PLS) in one phase mixtures of 2,6 lutidine plus water at temperatures and solvent compositions near the solvent mixture's critical point. The aggregation occurs only on the side of the critical composition rich in the liquid component which is nonpreferred when the system is in the solvent's two-phase region. The liquid that is preferred can be changed by changing the surface charge density of the PLS. The aggregation region extends to temperatures well beyond the wetting temperature, and dynamic light scattering shows no evidence of a thick layer building up onmore » individual particles before they join aggregates.« less