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Despite the simplicity of its molecular unit, water is a challenging system because of its uniquely rich polymorphism and predicted but yet unconfirmed features. Introducing a novel space of generalized coordinates that capture changes in…

We describe here in detail the recently introduced methodology for simulation of structural transitions in crystals. The applications of the new scheme are illustrated on various kinds of crystals and the advantages with respect to previous…

Materials Science · Physics 2007-05-23 R. Martonak , A. Laio , M. Bernasconi , C. Ceriani , P. Raiteri , M. Parrinello

Water/solid interfaces are relevant to a broad range of physicochemical phenomena and technological processes such as corrosion, lubrication, heterogeneous catalysis and electrochemistry. Although many fields have contributed to rapid…

Materials Science · Physics 2013-01-31 Javier Carrasco , Andrew Hodgson , Angelos Michaelides

We introduce a construction to embed a quasiperiodic lattice of obstacles into a single unit cell of a higher-dimensional space, with periodic boundary conditions. This construction transparently shows the existence of channels in these…

Chaotic Dynamics · Physics 2012-06-12 Atahualpa S. Kraemer , David P. Sanders

Of the three basic states of matter, liquid is perhaps the most complex. While its flow properties are described by fluid mechanics, its thermodynamic properties are often neglected, and for many years it was widely believed that a general…

Soft Condensed Matter · Physics 2023-08-31 K. Trachenko

The purpose of this paper is to give, on one hand, a mathematical exposition of the main topological and geometrical properties of geometric transitions, on the other hand, a quick outline of their principal applications, both in…

Algebraic Geometry · Mathematics 2015-06-26 Michele Rossi

Review of the author's data, partly still unpublished, on studying of liquid tellurium and cesium are given. No proofs indicating phase transitions in liquids were found. New developments in studying the liquid-liquid phase transition are…

Other Condensed Matter · Physics 2024-04-22 S. M. Stishov

We propose a thermodynamically consistent general-purpose model describing diffusion of a solute or a fluid in a solid undergoing possible phase transformations and damage, beside possible visco-inelastic processes. Also heat…

Mathematical Physics · Physics 2015-10-28 Tomas Roubicek , Giuseppe Tomassetti

Phase transformations can be difficult to characterize at the microscopic level due to the inability to directly observe individual atomic motions. Model colloidal systems, by contrast, permit the direct observation of individual particle…

Soft Condensed Matter · Physics 2015-04-21 Ye Yang , Lin Fu , Catherine Marcoux , Joshua E. S. Socolar , Patrick Charbonneau , Benjamin B. Yellen

This paper continues our study of quasicrystals initiated in Part I. We propose a general mechanism for constructing quasicrystals, existing globally in time, in spatially-extended systems (partial differential equations with Euclidean…

Dynamical Systems · Mathematics 2025-01-31 Ian Melbourne , Jens Rademacher , Bob Rink , Sergey Zelik

In our previous paper [H. K., J.Stat.Mech.(2015) P08020], we investigated an interacting-particle model with infinite-range cosine potentials, and derived the partition function which shows solid-fluid phase transition by exact calculation.…

Statistical Mechanics · Physics 2017-12-08 Hisato Komatsu

These are exciting times for studies of galaxy formation and the growth of structures. New observatories and advanced simulations are revolutionising our understanding of the cycling of matter into, through, and out of galaxies. This…

Astrophysics of Galaxies · Physics 2024-11-13 Celine Peroux , Dylan Nelson

We address the fundamental difference between solid-solid and liquid-liquid phase transitions within the Ericksen's nonlinear elasticity paradigm. To highlight ideas, we consider the simplest nontrivial 2D problem and work with a…

Mathematical Physics · Physics 2023-06-06 Yury Grabovsky , Lev Truskinovsky

Our general subject is the emergence of phases, and phase transitions, in large networks subjected to a few variable constraints. Our main result is the analysis, in the model using edge and triangle subdensities for constraints, of a sharp…

Combinatorics · Mathematics 2017-03-16 Charles Radin , Kui Ren , Lorenzo Sadun

A two-dimensional system of soft particles interacting via a two-length-scale potential is studied. Density functional theory and Brownian dynamics simulations reveal a fluid phase and two crystalline phases with different lattice spacing.…

Soft Condensed Matter · Physics 2013-10-30 A. J. Archer , A. M. Rucklidge , E. Knobloch

We propose a method of describing a phase transition in a cell fluid model with pair interaction potential that includes repulsive and attractive parts. An exact representation of the grand partition function of this model is obtained in…

Statistical Mechanics · Physics 2017-06-23 M. P. Kozlovskii , O. A. Dobush

A new formulation of statistical mechanics is put forward according to which a random variable characterizing a macroscopic body is postulated to be infinitely divisible. It leads to a parametric representation of partition function of an…

Mathematical Physics · Physics 2008-11-06 E. D. Belokolos

It is difficult to derive the solid--fluid transition from microscopic models. We introduce particle systems whose potentials do not decay with distance and calculate their partition function exactly using a method similar to that for…

Statistical Mechanics · Physics 2015-09-04 Hisato Komatsu

The geometrical approach to phase transitions is illustrated by simulating the high-temperature representation of the Ising model on a square lattice.

Statistical Mechanics · Physics 2009-11-10 Wolfhard Janke , Adriaan M. J. Schakel

Liquid-gas phase transition in statistical mechanics is a long-standing dilemma not yet well explained. In this paper we propose a novel approach to this dilemma, by: 1). Putting forth a new space homogeneity assumption. 2). Giving a new…

Statistical Mechanics · Physics 2007-05-23 Yuan-Xing Gui