Now showing items 1-10 of 86
Phase coexistence of cluster crystals: Beyond the gibbs phase rule
(Physical Review Letters, 2007-12-07)
We report a study of the phase behavior of multiple-occupancy crystals through simulation. We argue that in order to reproduce the equilibrium behavior of such crystals, it is essential to treat the number of lattice sites ...
Monte Carlo approach for studying microphases applied to the axial next-nearest-neighbor Ising and the Ising-Coulomb models
(Physical Review B - Condensed Matter and Materials Physics, 2011-06-09)
The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of their modulated phases. In this paper we present a systematic simulation methodology ...
Erratum: [N]pT ensemble and finite-size-scaling study of the critical isostructural transition in the generalized exponential model of index 4
(Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2012-12-05)
(Arch Biochem Biophys, 2016-07-15)
Crystallization is a key step in macromolecular structure determination by crystallography. While a robust theoretical treatment of the process is available, due to the complexity of the system, the experimental process ...
Phase behavior and far-from-equilibrium gelation in charged attractive colloids
(Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, 2007-05-03)
In this Rapid Communication we demonstrate the applicability of an augmented Gibbs ensemble Monte Carlo approach for the phase behavior determination of model colloidal systems with short-ranged depletion attraction and ...
Reentrant and isostructural transitions in a cluster-crystal former.
(Phys Rev Lett, 2010-12-10)
We study the low-temperature behavior of a simple cluster-crystal forming system through simulation. We find the phase diagram to be hybrid between the Gaussian core model and the penetrable sphere model. The system additionally ...
Gas-solid coexistence of adhesive spheres
(Journal of Chemical Physics, 2007-05-28)
In this note, the authors investigate whether the gas-liquid critical point can remain stable with respect to solidification for narrow attractive interactions down to the Baxter limit. Using a crude cell theory, the authors ...
Out-of-equilibrium dynamical fluctuations in glassy systems
(Journal of Chemical Physics, 2004-11-22)
In this paper we extend the earlier treatment of out-of-equilibrium mesoscopic fluctuations in glassy systems in several significant ways. First, via extensive simulations, we demonstrate that models of glassy behavior without ...
Dynamical heterogeneity and nonlinear susceptibility in supercooled liquids with short-range attraction
(Physical Review Letters, 2007-09-24)
Recent work has demonstrated the strong qualitative differences between the dynamics near a glass transition driven by short-ranged repulsion and one governed by short-ranged attraction. Here we study in detail the behavior ...
Monte carlo study of the axial next-nearest-neighbor Ising model.
(Phys Rev Lett, 2010-05-14)
The equilibrium phase behavior of microphase-forming systems is notoriously difficult to obtain because of the extended metastability of the modulated phases. We develop a simulation method based on free-energy integration ...