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We develop a coarse grained (CG) approach for efficiently simulating calcium dynamics in the endoplasmic reticulum membrane based on a fine stochastic lattice gas model. By grouping neighboring microscopic sites together into CG cells and…

Chemical Physics · Physics 2015-06-15 Chuansheng Shen , Hanshuang Chen

Motivated by the possibility of electrochemical control of phase separation, a variational theory of thermodynamic stability is developed for driven reactive mixtures, based on a nonlinear generalization of the Cahn-Hilliard and Allen-Cahn…

Chemical Physics · Physics 2017-11-01 Martin Z. Bazant

Conservative and non-conservative phase-field models are considered for the numerical simulation of lateral phase separation and coarsening in biological membranes. An unfitted finite element method is devised for these models to allow for…

Numerical Analysis · Mathematics 2019-01-08 Vladimir Yushutin , Annalisa Quaini , Sheereen Majd , Maxim Olshanskii

Granular hydrodynamics predicts symmetry-breaking instability in a two-dimensional (2D) ensemble of nearly elastically colliding smooth hard spheres driven, at zero gravity, by a rapidly vibrating sidewall. Super- and subcritical…

Soft Condensed Matter · Physics 2009-11-07 Eli Livne , Baruch Meerson , Pavel V. Sasorov

One key factor that limits the predictive power of molecular dynamics simulations is the accuracy and transferability of the input force field. Force fields are challenged by heterogeneous environments, where electronic responses give rise…

Chemical Physics · Physics 2016-09-13 Flaviu S. Cipcigan , Vlad P. Sokhan , Jason Crain , Glenn J. Martyna

Segregation to grain boundaries affects their cohesion, corrosion and embrittlement and plays a critical role in heterogeneous nucleation. In order to quantitatively study segregation and phase separation at grain boundaries, we derive a…

Incorporating atomistic and molecular information into models of cellular behaviour is challenging because of a vast separation of spatial and temporal scales between processes happening at the atomic and cellular levels. Multiscale or…

Computational Physics · Physics 2019-08-28 Radek Erban

We propose a novel phase-field model to predict elastic microphase separation in polymer gels. To this end, we extend the Cahn-Hilliard free-energy functional to incorporate an elastic strain energy and a coupling term. These contributions…

Materials Science · Physics 2025-05-05 Hamza Oudich , Pietro Carrara , Laura De Lorenzis

The two most commonly used methods to model the behaviour of granular flows are discrete element and continuum mechanics simulations. These approaches concentrate on the deterministic description of particle or bulk material motion. Unlike…

Soft Condensed Matter · Physics 2025-01-15 Benjy Marks , Shivakumar Athani , Itai Einav

We introduce a new model of aggregation of particles where in addition to diffusion and aggregation upon contact, a single unit of mass can dissociate from a conglomerate. This dissociation move conserves the total mass and leads to a…

Statistical Mechanics · Physics 2008-02-03 Supriya Krishnamurthy , Satya N. Majumdar , Mustansir Barma

Phase transformations in metallic grain boundaries (GBs) present significant fundamental interest in the context of thermodynamics of low-dimensional physical systems. We report on atomistic computer simulations of the Cu-Ag system that…

Materials Science · Physics 2015-07-01 Timofey Frolov , Mark Asta , Yuri Mishin

The phase separation mechanism of a binary liquid mixture off-critically quenched in its miscibility gap is nucleation and growth, its homogeneous phase reaching a metastable equilibrium state. The successive stages of growth of the…

Statistical Mechanics · Physics 2009-11-18 Jean Colombani , Jacques Bert

We report an experimental study on the transition between a disordered liquid-like state and a ordered solid-like one, in a collection of magnetically interacting macroscopic grains. A monolayer of magnetized particles is vibrated…

Statistical Mechanics · Physics 2015-06-05 Loreto Oyarte , Pablo Gutiérrez , Sébastien Aumaître , Nicolás Mujica

We present a continuum approach to model segregation of size-bidisperse granular materials in unsteady bounded heap flow as a prototype for modeling segregation in other time varying flows. In experiments, a periodically modulated feed rate…

Soft Condensed Matter · Physics 2022-08-02 Hongyi Xiao , Zhekai Deng , Julio M. Ottino , Paul B. Umbanhowar , Richard M. Lueptow

Phase segregation, the process by which the components of a binary mixture spontaneously separate, is a key process in the evolution and design of many chemical, mechanical, and biological systems. In this work, we present a data-driven…

Machine Learning · Computer Science 2018-03-28 Amir Barati Farimani , Joseph Gomes , Rishi Sharma , Franklin L. Lee , Vijay S. Pande

Liquid-liquid phase separation plays a major role in the formation and maintenance of various membrane-less subcellular structures in the cytoplasm and nucleus of cells. Biological condensates contain enhanced concentrations of proteins and…

Soft Condensed Matter · Physics 2023-10-03 Paul C Bressloff

Phase separation under non-equilibrium conditions is exploited by biological cells to organize their cytoplasm but remains poorly understood as a physical phenomenon. Here, we study a ternary fluid model in which phase-separating molecules…

Soft Condensed Matter · Physics 2018-02-21 Jean David Wurtz , Chiu Fan Lee

Many nonlinear partial differential equations (PDEs) display a coarsening dynamics, i.e., an emerging pattern whose typical length scale $L$ increases with time. The so-called coarsening exponent $n$ characterizes the time dependence of the…

Pattern Formation and Solitons · Physics 2013-06-11 Matteo Nicoli , Chaouqi Misbah , Paolo Politi

Spin foams are models of quantum gravity and therefore quantum space time. A key open issue is to determine the possible continuum phases of these models. Progress on this issue has been prohibited by the complexity of the full…

General Relativity and Quantum Cosmology · Physics 2015-02-16 Bianca Dittrich , Mercedes Martín-Benito , Erik Schnetter

Microalloying elements tend to segregate to the matrix-precipitate phase boundaries to reduce the interfacial energy. The segregation mechanism is emerging as a novel design strategy for developing precipitation-hardened alloys with…

Materials Science · Physics 2022-01-11 Sourabh Bhagwan Kadambi , Srikanth Patala