Literature DB >> 19655901

Phase diagram of Hertzian spheres.

Josep C Pàmies1, Angelo Cacciuto, Daan Frenkel.   

Abstract

We report the phase diagram of interpenetrating Hertzian spheres. The Hertz potential is purely repulsive, bounded at zero separation, and decreases monotonically as a power law with exponent 5/2, vanishing at the overlapping threshold. This simple functional describes the elastic interaction of weakly deformable bodies and, therefore, it is a reliable physical model of soft macromolecules, like star polymers and globular micelles. Using thermodynamic integration and extensive Monte Carlo simulations, we computed accurate free energies of the fluid phase and a large number of crystal structures. For this, we defined a general primitive unit cell that allows for the simulation of any lattice. We found multiple re-entrant melting and first-order transitions between crystals with cubic, trigonal, tetragonal, and hexagonal symmetries.

Entities:  

Year:  2009        PMID: 19655901     DOI: 10.1063/1.3186742

Source DB:  PubMed          Journal:  J Chem Phys        ISSN: 0021-9606            Impact factor:   3.488


  5 in total

1.  Internal structure and swelling behaviour of in silico microgel particles.

Authors:  Lorenzo Rovigatti; Nicoletta Gnan; Emanuela Zaccarelli
Journal:  J Phys Condens Matter       Date:  2018-01-31       Impact factor: 2.333

2.  Swelling of micro-hydrogels with a crosslinker gradient.

Authors:  Niels Boon; Peter Schurtenberger
Journal:  Phys Chem Chem Phys       Date:  2017-09-13       Impact factor: 3.676

3.  Connecting glass-forming ability of binary mixtures of soft particles to equilibrium melting temperatures.

Authors:  Yunhuan Nie; Jun Liu; Jialing Guo; Ning Xu
Journal:  Nat Commun       Date:  2020-06-24       Impact factor: 14.919

4.  Evidence of Structural Inhomogeneities in Hard-Soft Dimeric Particles without Attractive Interactions.

Authors:  Gianmarco Munaò; Franz Saija
Journal:  Materials (Basel)       Date:  2019-12-23       Impact factor: 3.623

5.  In Silico Synthesis of Microgel Particles.

Authors:  Nicoletta Gnan; Lorenzo Rovigatti; Maxime Bergman; Emanuela Zaccarelli
Journal:  Macromolecules       Date:  2017-10-18       Impact factor: 5.985

  5 in total

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