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We show here that molecular resolution is inherently hybrid in terms of relative separation: If molecules are close to each other, they must be characterized by a fine-grained (geometrically detailed) model, yet if molecules are far from…

Soft Condensed Matter · Physics 2019-03-13 Aviel Chaimovich , Christine Peter , Kurt Kremer

A unified fluid-structure interaction (FSI) formulation is presented for solid, liquid and mixed membranes. Nonlinear finite elements (FE) and the generalized-alpha scheme are used for the spatial and temporal discretization. The membrane…

Computational Physics · Physics 2018-12-31 Roger A. Sauer , Tobias Luginsland

Classical thermodynamics and statistical mechanics describe systems in which nothing interacts with nothing. Even the highly refined theory of simple fluids does not deal very well with electrical interactions, boundary conditions, or…

Other Quantitative Biology · Quantitative Biology 2012-08-31 Bob Eisenberg

A microscopically motivated theory of glassy dynamics based on an underlying random first order transition is developed to explain the magnitude of free energy barriers for glassy relaxation. A variety of empirical correlations embodied in…

Disordered Systems and Neural Networks · Physics 2009-10-31 Xiaoyu Xia , Peter G. Wolynes

Coherence simplices are generic topological correlation-function defects supported by a hierarchy of coherence functions. We classify coherence simplices based on their topology and discuss their structure and dynamics, together with their…

Quantum Physics · Physics 2013-06-25 Tapio P. Simula , David M. Paganin

The noble elements constitute the simplest group of atoms. At low temperatures or high pressures they freeze into the face-centered cubic (fcc) crystal structure (except helium). We perform molecular dynamics using the recently proposed…

Materials Science · Physics 2024-01-05 Aditya N. Singh , Jeppe C. Dyre , Ulf R. Pedersen

An analytical description of polymer melts and their mixtures as liquids of interacting soft colloidal particles is obtained from liquid-state theory. The derived center-of-mass pair correlation functions with no adjustable parameters…

Soft Condensed Matter · Physics 2009-11-10 G. Yatsenko , E. J. Sambriski , M. A. Nemirovskaya , M. Guenza

We derive the Hydrodynamics for a system of N active, spherical, underdamped particles, interacting through conservative forces. At the microscopic level, we represent the evolution of the particles in terms of the Kramers equation for the…

Statistical Mechanics · Physics 2022-03-15 Umberto Marini Bettolo Marconi , Andrea Puglisi , Lorenzo Caprini

We present a simple model for an associating liquid in which polymorphism and density anomaly are connected. Our model combines a two dimensional lattice gas with particles interacting through a soft core potential and orientational degrees…

Statistical Mechanics · Physics 2009-11-10 Vera B. Henriques , Marcia C Barbosa

A broad variety of liquids conform to density scaling: relaxation times expressed as a function of the ratio of temperature to density, the latter raised to a material constant {\gamma}. For atomic liquids interacting only through simple…

Soft Condensed Matter · Physics 2019-06-26 D. Fragiadakis , C. M. Roland

Concept of curvature of liquid surrounding a spherical surface seems obvious in daily life, but based on earthly conditions everywhere. However, our understanding about the concept seems more transparent when we keep the system out of the…

Fluid Dynamics · Physics 2020-08-27 Rajdeep Tah , Sarbajit Mazumdar , Krishna Kant Parida

The nucleation of crystals in liquids is one of nature's most ubiquitous phenomena, playing an important role in areas such as climate change and the production of drugs. As the early stages of nucleation involve exceedingly small time and…

Structural transitions in melts as well as their dynamics are considered. It is supposed that liquid represents the solution of relatively stable solid-like locally favored structures (LFS) in the surrounding of disordered normal-liquid…

Disordered Systems and Neural Networks · Physics 2007-05-23 M. G. Vasin , V. I. Lad'yanov

Consider a homogenous fluid membrane, or vesicle, described by the Helfrich-Canham energy, quadratic in the mean curvature. When the membrane is axially symmetric, this energy can be viewed as an `action' describing the motion of a…

Soft Condensed Matter · Physics 2009-11-11 Riccardo Capovilla , Jemal Guven , Efrain Rojas

There are at least three fundamental states of matter, depending upon temperature and pressure: gas, liquid, and solid (crystal). These states are separated by first-order phase transitions between them. In both gas and liquid phases the…

Soft Condensed Matter · Physics 2013-07-03 Hajime Tanaka

Within the framework of Gaussian equivalent representation method a new procedure of obtaining equations of state for simple liquids is discussed in some technical details. The developed approach permits one to compute partition and…

Statistical Mechanics · Physics 2009-12-15 Dima Bolmatov

Liquid structure at solid-liquid interfaces is critical for many natural and engineered processes ranging from biological signal transduction to electrochemical energy conversion. Advanced experimental and computational methods have…

The traditional view that the physical properties of a simple liquid are determined primarily by its repulsive forces was recently challenged by Berthier and Tarjus, who showed that in some cases ignoring the attractions leads to large…

Soft Condensed Matter · Physics 2013-01-29 Søren Toxvaerd , Jeppe C. Dyre

Collective motion of self-propelled organisms or synthetic particles often termed active fluid has attracted enormous attention in broad scientific community because of it fundamentally non-equilibrium nature. Energy input and interactions…

Soft Condensed Matter · Physics 2014-03-05 Shuang Zhou , Andrey Sokolov , Oleg D Lavrentovich , Igor S Aranson

This article investigates the interaction of nematic liquid crystals modeled by a simplified Ericksen-Leslie model with a rigid body. It is shown that this problem is locally strongly well-posed, and that it also admits a unique, global…

Analysis of PDEs · Mathematics 2024-09-04 Tim Binz , Felix Brandt , Matthias Hieber , Arnab Roy