Free energy barriers for homogeneous crystal nucleation in a eutectic system of binary hard spheres

2013 ◽  
Vol 138 (17) ◽  
pp. 174503 ◽  
Author(s):  
Srinivasa Rao Ganagalla ◽  
Sudeep N. Punnathanam
Keyword(s):  
Free Energy ◽  
Hard Spheres ◽  
Crystal Nucleation ◽  
Eutectic System ◽  
Energy Barriers ◽  
Homogeneous Crystal

scholarly journals Free-energy barriers for crystal nucleation from fluid phases

2017 ◽  
Vol 96 (4) ◽  
Author(s):  
Peter Koß ◽  
Antonia Statt ◽  
Peter Virnau ◽  
Kurt Binder
Keyword(s):  
Free Energy ◽  
Crystal Nucleation ◽  
Energy Barriers ◽  
Fluid Phases

scholarly journals Heterogeneous versus homogeneous crystal nucleation of hard spheres

Soft Matter ◽  
2019 ◽  
Vol 15 (47) ◽  
pp. 9625-9631 ◽  
Author(s):  
Jorge R. Espinosa ◽  
Carlos Vega ◽  
Chantal Valeriani ◽  
Daan Frenkel ◽  
Eduardo Sanz
Keyword(s):  
Nucleation Rate ◽  
Heterogeneous Nucleation ◽  
Cell Walls ◽  
Homogeneous Nucleation ◽  
Hard Spheres ◽  
Crystal Nucleation ◽  
Experimental Measurements ◽  
Homogeneous Crystal

Heterogeneous nucleation at the cell walls may at least partly explain the reported discrepancy between experimental measurements and simulation estimates of the homogeneous nucleation rate.

Calculation of the free energy barriers in the oligomerisation of Ab

10.2741/3104 ◽  
2008 ◽  
Vol Volume (13) ◽  
pp. 5614 ◽  
Author(s):  
Mookyung Cheon
Keyword(s):  
Free Energy ◽  
Energy Barriers

Microscopic mechanisms of initial oxidation of Si(100): Reaction pathways and free-energy barriers

2012 ◽  
Vol 85 (20) ◽  
Author(s):  
Kenichi Koizumi ◽  
Mauro Boero ◽  
Yasuteru Shigeta ◽  
Atsushi Oshiyama
Keyword(s):  
Free Energy ◽  
Reaction Pathways ◽  
Energy Barriers ◽  
Initial Oxidation

scholarly journals The Free-Energy Landscape of Clusters of Attractive Hard Spheres

Science ◽  
2010 ◽  
Vol 327 (5965) ◽  
pp. 560-563 ◽  
Author(s):  
G. Meng ◽  
N. Arkus ◽  
M. P. Brenner ◽  
V. N. Manoharan
Keyword(s):  
Free Energy ◽  
Hard Spheres ◽  
Energy Landscape ◽  
Free Energy Landscape

Thermodynamics of Bidisperse Ferrofluids in Zero External Magnetic Field: Theory and Simulations

2015 ◽  
Vol 233-234 ◽  
pp. 331-334
Author(s):  
Anna Yu. Solovyova ◽  
Ekaterina A. Elfimova
Keyword(s):  
Magnetic Field ◽  
Field Theory ◽  
Free Energy ◽  
External Magnetic Field ◽  
Volume Concentration ◽  
Helmholtz Free Energy ◽  
Hard Spheres ◽  
Particle Volume ◽  
Simulation Data ◽  
Theoretical Predictions

The thermodynamic properties of a ferrofluid modeled by a bidisperse system of dipolar hard spheres in the absence of external magnetic field are investigated using theory and simulations. The theory is based on the virial expansion of the Helmholtz free energy in terms of particle volume concentration. Comparison between the theoretical predictions and simulation data shows a great agreement of the results.

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