Related papers: Equilibrium and nonequilibrium effects in the coll…
The stochastic differential equations for a model of dissipative particle dynamics, with both total energy and total momentum conservation at every time-step, are presented. The algorithm satisfies detailed balance as well as the…
Liquid-gas phase coexistence in a boundary-driven diffusive system is studied by analyzing fluctuating hydrodynamics of a density field defined on a one-dimensional lattice with a space interval $\Lambda$. When an interface width $\ell$ is…
We have formulated a self-consistent model of freeze-out on an arbitrary hypersurface. It conserves energy and momentum across the discontinuity between ideal fluid and the gas of free particles. Energy and momentum of those free particles…
Conformational properties of a single flexible polyelectrolyte chain in a poor solvent are studied using constant temperature molecular dynamics simulation. The effects of counterions are explicitly taken in to account. Structural…
We consider a rigid body acted upon by two forces, a constant force and the collective force of interaction with a continuum of particles. We assume that some of the particles that collide with the body reflect elastically (specularly),…
The mechanism of the collapse of the superhydrophobic state is elucidated for submerged nanoscale textures forming a three-dimensional interconnected vapor domain. This key issue for the design of nanotextures poses significant simulation…
State-of-the-art simulations of high-energy nuclear collisions rely on hybrid setups, involving in particular a pre-equilibrium stage to let the system evolve from a far-from-equilibrium initial condition towards a near-equilibrated state…
The surface tension, the adsorption, and the depletion thickness of polymers close to a single nonadsorbing colloidal sphere are computed by means of Monte Carlo simulations. We consider polymers under good-solvent conditions and in the…
Agitated wet granular matter can be considered as a nonequilibrium model system for phase transitions, where the macroscopic particles replace the molecules and the capillary bridges replace molecular bonds. It is demonstrated…
The temporal evolution of equilibrium fluctuations for surface steps of monoatomic height is analyzed studying one-dimensional solid-on-solid models. Using Monte Carlo simulations, fluctuations due to periphery-diffusion (PD) as well as due…
A diffuse interface (phase field) model for an electrochemical system is developed. We describe the minimal set of components needed to model an electrochemical interface and present a variational derivation of the governing equations. With…
We study the non-equilibrium relaxational dynamics of a probe particle linearly coupled to a thermally fluctuating scalar field and subject to a harmonic potential, which provides a cartoon for an optically trapped colloid immersed in a…
The free energy landscape of a protein-like chain in a fluid was studied by combining discontinuous molecular dynamics and parallel tempering. The model protein is a repeating sequence of four different beads, with interactions mimicking…
It is well-known that liquid and saturated vapor, separated by a flat interface in an unbounded space, are in equilibrium. One would similarly expect a liquid drop, sitting on a flat substrate, to be in equilibrium with the vapor…
The properties of the interface between solid and melt are key to solidification and melting, as the interfacial free energy introduces a kinetic barrier to phase transitions. This makes solidification happen below the melting temperature,…
From the molecular dynamics simulation of a system of hard-core disks in which an equilibrium cell is connected with a nonequilibrium cell, it is confirmed that the pressure difference between two cells depends on the direction of the heat…
A continuum model of dislocation pileups that takes the self-energy of dislocations into account is proposed. An analytical solution describing the distribution of dislocations in equilibrium is found from the energy minimization. Based on…
Using an Ising-like model of protein mechanical unfolding, we introduce a diffusive dynamics on its exactly known free energy profile, reducing the nonequilibrium dynamics of the model to a biased random walk. As an illustration, the model…
Biomembranes wrapping cells and organelles are not only the partitions that separate the insides but also dynamic fields for biological functions accompanied by membrane shape changes. In this review, we discuss the spatiotemporal patterns…
We present a new approach for predicting stable equilibrium shapes of crystalline islands on flat substrates, as commonly occur through solid-state dewetting of thin films. The new theory is a generalization of the widely used Winterbottom…