We describe a simple nearest-neighbor Ising model that is capable of supporting a gas, liquid, and crystal, in characteristic relationship to each other. As the parameters of the model are varied, one obtains characteristic patterns of phase behavior reminiscent of continuum systems where the range of the interaction is varied. The model also possesses dynamical arrest, and although we have not studied it in detail, these "transitions" appear to have a reasonable relationship to the phases and their transitions.
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http://dx.doi.org/10.1103/PhysRevE.70.022401 | DOI Listing |
J Phys Chem B
March 2025
Department of Chemistry, The University of Utah, 315 South 1400 East, Salt Lake City, Utah 84112-0850, United States.
Glycerol, a versatile cryoprotectant, exhibits a complex conformational landscape governed by intra- and intermolecular hydrogen bonds. Capturing its structural and thermodynamic properties in liquid and glass states remains challenging due to discrepancies between NMR, neutron scattering experiments, and all-atom (AA) simulations. While AA simulations are widely used, they overestimate the α-conformation and incur significant computational costs.
View Article and Find Full Text PDFPhys Rev E
October 2024
Institut für Theoretische Physik, University of Göttingen, Friedrich-Hund-Platz 1, 37077 Göttingen, Germany and Department of Mathematics, King's College London, London WC2R 2LS, United Kingdom.
Amorphous solids can yield in either a ductile or brittle manner under strain: plastic deformation can set in gradually, or abruptly through a macroscopic stress drop. Developing a unified theory describing both ductile and brittle yielding constitutes a fundamental challenge of nonequilibrium statistical physics. Recently, it has been proposed that, in the absence of thermal effects, the nature of the yielding transition is controlled by physics akin to that of the quasistatically driven random field Ising model (RFIM), which has served as the paradigm for understanding the effect of quenched disorder in slowly driven systems with short-ranged interactions.
View Article and Find Full Text PDFPhys Rev E
May 2024
Department of Mechanical Science and Engineering, University of Illinois Urbana-Champaign, Urbana, Illinois 61801, USA.
Monolayers of growing bacteria, confined within channel geometries, exhibit self-organization into a highly aligned laminar state along the axis of the channel. Although this phenomenon has been observed in experiments and simulations under various boundary conditions, the underlying physical mechanism driving this alignment remains unclear. In this study, we conduct simulations of growing bacteria in two-dimensional channel geometries perturbed by fixed obstacles, either circular or arc shaped, placed at the channel's center.
View Article and Find Full Text PDFPhys Rev E
September 2023
Physics of Complex Systems, S.N. Bose National Centre for Basic Sciences Block-JD, Sector-III, Salt Lake, Kolkata 700106, India.
We consider a one-dimensional lattice gas model of hardcore particles with nearest-neighbor interaction in presence of a time-periodic external potential. We investigate how attractive or repulsive interaction affects particle transport and determine the conditions for optimum transport, i.e.
View Article and Find Full Text PDFPhys Chem Chem Phys
August 2023
Department of Chemical Engineering, Indian Institute of Science, Bengaluru, Karnataka 560012, India.
Electrical double layers (EDLs) arise when an electrolyte is in contact with a charged surface, and are encountered in several application areas including batteries, supercapacitors, electrocatalytic reactors, and colloids. Over the last century, the development of Poisson-Boltzmann (PB) models and their modified versions have provided significant physical insight into the structure and dynamics of the EDL. Incorporation of physics such as finite-ion-size effects, dielectric decrement, and ion-ion correlations has made such models increasingly accurate when compared to more computationally expensive approaches such as molecular simulations and classical density functional theory.
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