Related papers: Residual Entropy of Ice: A Study Based on Transfer…
We present a first-principles study of the structure and energetics of Bjerrum defects in ice Ih and compare the results to experimental electrical conductivity data. While the DFT result for the activation energy is in good agreement with…
We study the approach to equilibrium of systems of gas particles in terms of relative entropy. The systems are modeled by the Kac master equation in arbitrary dimensions. First, we study the Kac system coupled to a thermostat, and secondly…
From thermodynamic origins, the concept of entropy has expanded to a range of statistical measures of uncertainty, which may still be thermodynamically significant. However, laboratory measurements of entropy continue to rely on direct…
Systems of hard shapes crystallize due to entropy. How is entropy distributed among translational and rotational microscopic contributions? We answer this question by decomposing thermal fluctuation of crystals of hard hexagons into…
We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our approach is based on the calculation of ice Ih-liquid free energy…
Two kinds of recursive lattices with the same coordination number but different unit cells (2-D square and 3-D cube) are constructed and the antiferromagnetic Ising model is solved exactly on them to study the stable and metastable states.…
We present a comprehensive and self-contained discussion of the use of the transfer matrix to study propagation in one-dimensional lossless systems, including a variety of examples, such as superlattices, photonic crystals, and optical…
This monograph reviews our current understanding of the physical dynamics of ice crystal growth, focusing on the spontaneous formation of complex structures from water vapor (called snow crystals) as a function of temperature,…
The formation of monolayer and multilayer ice with a square lattice structure has recently been reported on the basis of transmission electron microscopy experiments, renewing interest in confined two dimensional ice. Here we report a…
Water freezes below 0 {\deg}C at ambient pressure, ordinarily to ice Ih with an ABAB... hexagonal stacking sequence. However, it is also known to produce "ice Ic" nominally with an ABCABC... cubic stacking sequence under certain…
Magnetic monopole quasiparticles in spin ice materials hold the potential for exploring new frontiers of physics that extend beyond Maxwell's equations. We have previously proposed a two-dimensional magnetic monopole gas (2DMG), confined at…
In this note we consider the ideal compressible magneto-hydrodynamics (MHD) equations in a special two dimensional setting. We show that there exist particular initial data for which one obtains infinitely many entropy-conserving weak…
Water is one of the most abundant substances on Earth, and ice, i.e., solid water, has more than 18 known phases. Normally ice in nature exists only as Ice Ih, Ice Ic, or a stacking disordered mixture of both. Although many theoretical…
A transition matrix can be constructed through the partial contraction of two given quantum states. We analyze and compare four different definitions of entropy for transition matrices, including (modified) pseudo entropy, SVD entropy, and…
We investigate a one-dimensional water-like lattice model with Van der Waals and hydrogen-bond interactions, allowing for particle number fluctuations through a chemical potential. The model, defined on a chain with periodic boundary…
We present a combined analytical and numerical study of the entropy as a function of magnetization for an orientable 2D spin-ice model that exhibits a Kasteleyn transition. The model that we use is related to the well known six-vertex model…
Finite temperature properties of symmetric $\pm J$ multileg Ising ladders and tubes are investigated using the statistical transfer matrix method. The temperature dependences of the specific heat and entropy are calculated. In the case of…
Recent advances in experimental and computational techniques have allowed for an accurate description of the adsorption of ionic liquids on metallic electrodes. It is now well established that they adopt a multi-layered structure, and that…
Topological properties of crystalline ice structures are studied by considering ring statistics, coordination sequences, and topological density of different ice phases. The coordination sequences (number of sites at topological distance k…
Ice Ih has been studied by path-integral molecular dynamics simulations, using the effective q-TIP4P/F potential model for flexible water. This has allowed us to analyze finite-temperature quantum effects in this solid phase from 25 to 300…