Related papers: Enhancing entropy and enthalpy fluctuations to dri…
The Boltzmann factor comes from the linear change in entropy of an infinite heat bath during a local fluctuation; small systems have significant nonlinear terms. We present theoretical arguments, experimental data, and Monte-Carlo…
The process of homogeneous crystal nucleation has been considered in a model liquid, where the interparticle interaction is described by a short-range spherical oscillatory potential. Mechanisms of initiating structural ordering in the…
We here discuss the results of 3d MonteCarlo simulations of a minimal lattice model for gelling systems. We focus on the dynamics, investigated by means of the time autocorrelation function of the density fluctuations and the particle mean…
Thermodynamic phase transitions, a central concept in physics and chemistry, are typically controlled by an interplay of enthalpic and entropic contributions. In most cases, the estimation of the enthalpy in simulations is straightforward…
Cycling of a metallic glass between ambient and cryogenic temperatures can induce higher-energy states characteristic of glass formation on faster cooling. This rejuvenation, unexpected because it occurs at small macroscopic strains and…
Modeling phase change problems numerically is vital for understanding many natural (e.g., ice formation, steam generation) and engineering processes (e.g., casting, welding, additive manufacturing). Almost all phase change materials (PCMs)…
A molecular dynamics study of a two dimensional system of particles interacting through a Lennard-Jones pairwise potential is performed at fixed temperature and vanishing external pressure. As the temperature is increased, a solid-to-liquid…
We consider a system of two Brownian particles (say A and B), coupled to each other via harmonic potential of stiffness constant $k$. Particle-A is connected to two heat baths of constant temperatures $T_1$ and $T_2$, and particle-B is…
Melting and solidification processes are often affected by natural convection of the liquid, posing a multi-physics problem involving fluid flow, convective and diffusive heat transfer, and phase-change reactions. Enthalpy methods formulate…
In this paper we present a modeling approach to bridge the atomistic with macroscopic scales in crystalline materials. The methodology combines identification and modeling of the controlling unit processes at microscopic level with the…
A colloidal particle immersed in a bath of bacteria is a typical example of a passive particle in an active bath. To model this, we take an overdamped harmonically trapped particle subjected to a thermal and a non-equilibrium noise arising…
The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of…
Approaching the problem of understanding fundamental physical constants (FPCs) started with discussing the role these constants play in high-energy nuclear physics and astrophysics. Condensed matter physics was relatively unexplored in this…
Crystallization, a prototypical self-organization process during which a disordered state spontaneously transforms into a crystal characterized by a regular arrangement of its building blocks, usually proceeds by nucleation and growth. In…
A funnel transformation is introduced, which acts recursively from higher towards lower temperatures. It biases the a-priori probabilities of a canonical or generalized ensemble Metropolis simulation, so that they zoom in on the global…
We combine population annealing Monte Carlo and several thermodynamic integration techniques to measure equilibrium vibrational and configurational entropies in the metastable fluid regime beyond the dynamic glass transition. We obtain…
Phase transitions in nuclei, small atomic clusters and self-gravitating systems demand the extension of thermo-statistics to ``Small'' systems. The main obstacle is the thermodynamic limit. It is shown how the original definition of the…
Dominating finite-range interactions in many-body systems can lead to intriguing self-ordered phases of matter. Well known examples are crystalline solids or Coulomb crystals in ion traps. In those systems, crystallization proceeds via a…
We discuss the crystallization process from the supersaturated melt in terms of its non-equilibrium properties. In particular, we quantify the amount of heat that is produced irreversibly when a suspension of hard spheres crystallizes. This…
We consider homogeneous crystallisation rates in confocal microscopy experiments on colloidal nearly hard spheres at the single particle level. These we compare with Brownian dynamics simuations by carefully modelling the softness in the…