Related papers: A doubly associated reference perturbation theory …
Tetrahedral interactions describe the behaviour of the most abundant and technologically important materials on Earth, such as water, silicon, carbon, germanium, and countless others. Despite their differences, these materials share unique…
We study the chemical potential of water as a function of charge based on perturbation theory. By calculating the electrostatic-energy fluctuations of two states (fully charged and uncharged) we are able to determine accurate values for the…
A simple theory for the leading-order correction g_1(r) to the structure of a hard-sphere liquid with discrete (e.g. square-well) potential perturbations is proposed. The theory makes use of a general approximation that effectively…
The hydrogen-bond network of water is characterized by the presence of coordination defects relative to the ideal tetrahedral network of ice, whose fluctuations determine the static and time-dependent properties of the liquid. Because of…
Compressing or cooling a fluid typically enhances its static interparticle correlations. However, there are notable exceptions. Isothermal compression can reduce the translational order of fluids that exhibit anomalous waterlike trends in…
Monte Carlo computer simulations in the canonical and grand canonical statistical ensemble were used to explore the properties of the central force (CF1) water model. The intramolecular structure of the H$_2$O molecule is well reproduced by…
Inspired by the hunt for new phases of matter in quantum mixed states, it has recently been proposed that the equivalence of microcanonical and canonical ensembles in statistical mechanics is a manifestation of strong-to-weak spontaneous…
In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity. We include both steric hindrance and ring formation such that the equation of state is bond angle dependent. Here…
Perturbation theory is an indispensable tool in quantum mechanics and electrodynamics that handles weak effects on particle motion or fields. However, its extension to plasmons involving complex motion of {\it both} particles and fields…
A theoretical model for the effect of water hydrogen bonding on the thermodynamics of hydrophobic hydration is proposed as a combination of the classical density functional theory with the recently developed probabilistic approach to water…
A multiscale theory of interacting continuum mechanics and thermodynamics of mixtures of fluids, electrodynamics, polarization and magnetization is proposed. The mechanical (reversible) part of the theory is constructed in a purely…
In this work we extend Wertheim's thermodynamic perturbation theory (TPT) to binary mixtures (species A and species B) of patchy colloids where each species has a single patch which can bond a maximum of twice (divalent). Colloids are…
More than half of a century has passed since the free energy of classical fluids defined by second Legendre transform was derived as a functional of density-density correlation function. It is now becoming an increasingly significant issue…
A gaussian distribution of binding energies, but conditioned to exploit generally available information on packing in liquids, provides a statistical-thermodynamic theory of liquid water that is structurally non-committal, molecularly…
Integrating seminal ideas of London, Feynman, and Feenberg, this paper continues the development of an ab initio theory of the lambda transition in liquid 4He. The theory is based on variational determination of a trial density matrix…
Water is an unusual liquid. Its thermophysical properties are non-monotonic with temperature T and pressure p. It's not been known how water's behaviors are encoded in its molecules. We give a statistical physics model, Cage Water, which…
We propose a general hydrodynamic framework for systems with spontaneously broken approximate symmetries. The second law of thermodynamics naturally results in relaxation in the hydrodynamic equations, and enables us to derive a universal…
The thermal conductivity of water features a maximum (TCM) as a function of temperature at constant pressure. By examining why molecular force fields succeed or fail to reproduce the maximum and interpreting our results using the Bridgman…
We derive hydrodynamics of a prototypical one dimensional model, having variable-range hopping, which mimics passive diffusion and ballistic motion of active, or self-propelled, particles. The model has two main ingredients - the hardcore…
We extensively develop a perturbation theory for nonlinear cosmological dynamics, based on the Lagrangian description of hydrodynamics. We solve hydrodynamic equations for a self-gravitating fluid with pressure, given by a polytropic…