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We have investigated thermodynamic and dynamic properties as well as the dielectric constant of water-metha\-nol model mixtures in the entire range of composition by using constant pressure molecular dynamics simulations at ambient…

Soft Condensed Matter · Physics 2015-12-25 E. Galicia-Andrés , H. Dominguez , L. Pusztai , O. Pizio

We discuss the time-dependent formulation of perturbation theory in the context of the interacting zeroth-order Hamiltonians that appear in multi-reference situations. As an example, we present a time-dependent formulation and…

Chemical Physics · Physics 2018-04-09 Alexander Yu. Sokolov , Garnet K. -L. Chan

Using the wave equation as an example, it is shown how to extend the hydrodynamic Lagrangian-picture method of constructing field evolution using a continuum of trajectories to second-order theories. The wave equation is represented through…

Fluid Dynamics · Physics 2015-05-28 Peter Holland

As an effective theory, relativistic hydrodynamics is fixed by symmetries up to a set of transport coefficients. A lot of effort has been devoted to explicit calculations of these coefficients. Here we propose a shift in perspective: we…

High Energy Physics - Theory · Physics 2024-10-15 Michal P. Heller , Alexandre Serantes , Michał Spaliński , Benjamin Withers

Irreversible processes play a major role in the description and prediction of atmospheric dynamics. In this paper, we present a variational derivation of the evolution equations for a moist atmosphere with rain process and subject to the…

Mathematical Physics · Physics 2018-04-27 François Gay-Balmaz

We used modified Arrhenius approximations to analyze the known temperature dependences (TDs) of water microstructure parameters and its dynamic characteristics. The analysis of activation energies showed a significant difference in the…

Chemical Physics · Physics 2021-06-30 Alexander Kholmanskiy

In equilibrium and supercooled liquids, polymorphism is manifested by thermodynamic regions defined in the phase diagram, which are predominantly of different short- and medium-range order (local structure). It is found that on the phase…

Soft Condensed Matter · Physics 2024-03-19 Anatolii V. Mokshin , Roman V. Vlasov

We develop a graph-based model of the hydrogen bond network in water, with a view towards quantitatively modeling the molecular-level correlational structure of the network. The networks are formed are studied by the constructing the model…

Statistical Mechanics · Physics 2018-06-19 Rahul Dandekar , Ali A. Hassanali

The isothermal compressibility (i.e., the asymptotic number variance) of equilibrium liquid water as a function of temperature is minimal near ambient conditions. This anomalous non-monotonic temperature dependence is due to a balance…

Statistical Mechanics · Physics 2024-05-06 Michael A. Klatt , Jaeuk Kim , Thomas E. Gartner , Salvatore Torquato

Compressible isothermal magnetohydrodynamic turbulence is analyzed under the assumption of statistical homogeneity and in the asymptotic limit of large kinetic and magnetic Reynolds numbers. Following Kolmogorov we derive an exact relation…

Fluid Dynamics · Physics 2015-06-12 Supratik Banerjee , Sébastien Galtier

We provide a comprehensive picture for the formulation of the perfect fluid in the modern effective field theory formalism at both the classical and quantum level. Due to the necessity of decomposing the hydrodynamical variables $(\rho, p,…

High Energy Physics - Theory · Physics 2026-01-22 Gabriel Cuomo , Fanny Eustachon , Eren Firat , Brian Henning , Riccardo Rattazzi

This study presents a new turbulence model for isothermal compressible flows. The model is derived by combining the Favre averaging and the Conservation-dissipation formalism -- a newly developed thermodynamics theory. The latter provides a…

Analysis of PDEs · Mathematics 2025-04-29 Zhiting Ma , Wen-An Yong , Yi Zhu

A molecular theory of the glass transition of network forming liquids is developed using a combination of self-consistent phonon and liquid state approaches. Both the dynamical transition and the entropy crisis characteristic of random…

Condensed Matter · Physics 2009-11-07 Randall W. Hall , Peter G. Wolynes

The field theoretical description of thermo-hydrodynamics is given. It is based on the duality between the physical space--time and the "material space-time" which we construct here. The material space appearing in a natural way in the…

Mathematical Physics · Physics 2013-11-12 Jacek Jezierski , Jerzy Kijowski

We regularize the potential distribution framework to calculate the excess free energy of liquid water simulated with the BLYP-D density functional. The calculated free energy is in fair agreement with experiments but the excess internal…

Chemical Physics · Physics 2015-05-19 Valéry Weber , D. Asthagiri

We propose a new method to compute the free energy or enthalpy of fluids or disordered solids by computer simulation . The main idea is to construct a reference system by freezing one representative configuration, and then carry out a…

Computational Physics · Physics 2011-03-16 Friederike Schmid , Tanja Schilling

The short version of new quantum quantitative Hierarchic theory, general for solids and liquids is presented. Condensed matter is considered as a system of 3D standing waves of different nature: thermal de Broglie waves (waves B), IR…

General Physics · Physics 2009-11-07 Alex Kaivarainen

Liquid water is one of the most studied substances, yet many of its properties are difficult to rationalize. The uniqueness of water is rooted in the dynamic network of hydrogen-bonded molecules with relaxation time constants of about one…

We show that the formalism of Wertheim's first order thermodynamic perturbation theory can be generalised for the fluid of rotating sticky particles with anisotropic hard core confined to a quasi-one-dimensional channel. Using the transfer…

Statistical Mechanics · Physics 2025-10-09 Péter Gurin , Szabolcs Varga

Using the basic ingredient of supersymmetry, we develop a simple alternative approach to perturbation theory in one-dimensional non-relativistic quantum mechanics. The formulae for the energy shifts and wave functions do not involve tedious…

Quantum Physics · Physics 2009-11-10 Bulent Gonul
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