Solid-fluid phase transition of quantum hard spheres at finite temperatures

1988 ◽  
Vol 38 (1) ◽  
pp. 135-162 ◽  
Author(s):  
Karl J. Runge ◽  
Geoffrey V. Chester
Keyword(s):  
Phase Transition ◽  
Hard Spheres ◽  
Fluid Phase

On the Concentration Fluctuations of a Binary Mixture of Hard Spheres

1988 ◽  
Vol 43 (10) ◽  
pp. 847-850 ◽  
Author(s):  
L. J. Gallego ◽  
J. A. Somoza ◽  
M. C. Blanco
Keyword(s):  
Phase Transition ◽  
Binary Mixture ◽  
Hard Sphere ◽  
Equations Of State ◽  
Hard Spheres ◽  
Fluid Phase ◽  
Packing Fraction ◽  
Concentration Fluctuations ◽  
Entropy Of Mixing ◽  
First Approximation

Abstract We have computed the concentration fluctuations, Scc(0), in a binary mixture of hard spheres on the basis of the Percus-Yevick compressibility (PYC), Percus-Yevick virial (PYV) and Mansoori- Carnahan-Starling (MCS) equations of state. We have also used the Flory-Huggins (FH) model for an athermal solution as a first approximation to the hard sphere description. At fluid packing fraction values, the PYC and MCS theories give similar Scc (0) results, whereas the differences between these and those derived from the PYV equation are more significant. The FH model appears to give rather bad results, which is consistent with the studies of other authors on the entropy of mixing of a binary mixture of hard spheres. The impossibility of a fluid-fluid phase transition in this kind of system is clearly shown by the behaviour of Scc (0) in any of the theories studied.

scholarly journals Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations

2016 ◽  
Vol 113 (18) ◽  
pp. 4953-4957 ◽  
Author(s):  
Carlo Pierleoni ◽  
Miguel A. Morales ◽  
Giovanni Rillo ◽  
Markus Holzmann ◽  
David M. Ceperley
Keyword(s):  
Phase Transition ◽  
Monte Carlo ◽  
Density Functional ◽  
Fluid Phase ◽  
Transition Line ◽  
Energy Applications ◽  
First Order Phase Transition ◽  
Fundamental Research ◽  
Diamond Anvil ◽  
First Order Phase

The phase diagram of high-pressure hydrogen is of great interest for fundamental research, planetary physics, and energy applications. A first-order phase transition in the fluid phase between a molecular insulating fluid and a monoatomic metallic fluid has been predicted. The existence and precise location of the transition line is relevant for planetary models. Recent experiments reported contrasting results about the location of the transition. Theoretical results based on density functional theory are also very scattered. We report highly accurate coupled electron–ion Monte Carlo calculations of this transition, finding results that lie between the two experimental predictions, close to that measured in diamond anvil cell experiments but at 25–30 GPa higher pressure. The transition along an isotherm is signaled by a discontinuity in the specific volume, a sudden dissociation of the molecules, a jump in electrical conductivity, and loss of electron localization.

Low-Density Fluid Phase of Dipolar Hard Spheres

1996 ◽  
Vol 76 (13) ◽  
pp. 2310-2313 ◽  
Author(s):  
Richard P. Sear
Keyword(s):  
Hard Spheres ◽  
Fluid Phase ◽  
Low Density

Demixing phase transition in a mixture of hard-sphere dipoles and neutral hard spheres

1991 ◽  
Vol 67 (19) ◽  
pp. 2674-2677 ◽  
Author(s):  
X. S. Chen ◽  
M. Kasch ◽  
F. Forstmann
Keyword(s):  
Phase Transition ◽  
Hard Sphere ◽  
Hard Spheres

scholarly journals Bulk fluid phase behaviour of colloidal platelet–sphere and platelet–polymer mixtures

2013 ◽  
Vol 371 (1988) ◽  
pp. 20120259 ◽  
Author(s):  
Daniel de las Heras ◽  
Matthias Schmidt
Keyword(s):  
Phase Diagrams ◽  
Nematic Phase ◽  
Density Functional ◽  
Hard Spheres ◽  
Hard Core ◽  
Fluid Phase ◽  
Phase Behaviour ◽  
Size Ratio ◽  
Polymer Mixtures ◽  
Bulk Fluid

Using a geometry-based fundamental measure density functional theory, we calculate bulk fluid phase diagrams of colloidal mixtures of vanishingly thin hard circular platelets and hard spheres. We find isotropic–nematic phase separation, with strong broadening of the biphasic region, upon increasing the pressure. In mixtures with large size ratio of platelet and sphere diameters, there is also demixing between two nematic phases with differing platelet concentrations. We formulate a fundamental measure density functional for mixtures of colloidal platelets and freely overlapping spheres, which represent ideal polymers, and use it to obtain phase diagrams. We find that, for low platelet–polymer size ratio, in addition to isotropic–nematic and nematic–nematic phase coexistence, platelet–polymer mixtures also display isotropic–isotropic demixing. By contrast, we do not find isotropic–isotropic demixing in hard-core platelet–sphere mixtures for the size ratios considered.

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