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We introduce a new quantity to probe the glass transition. This quantity is a linear generalized compressibility which depends solely on the positions of the particles. We have performed a molecular dynamics simulation on a glass forming…
Despite their technological relevance, a full microscopic understanding of glasses is still lacking. This applies even more to their surfaces whose properties largely differ from that of the bulk material. Here, we experimentally…
Based on the thermodynamic variation, we rigorously derive the sharp-interface model for solid-state dewetting on a flat substrate in the form of cylindrical symmetry. The governing equations for the model belong to fourth-order geometric…
We study vicinal crystal surfaces within the terrace-step-kink model on a discrete lattice. Including both a short-ranged attractive interaction and a long-ranged repulsive interaction arising from elastic forces, we discover a series of…
We study in this paper the phase transition in a mobile Potts model by the use of Monte Carlo simulation. The mobile Potts model is related to a diluted Potts model which is also studied here by a mean-field approximation. We consider a…
This work deals with numerical simulation of water freezing and thawing in a complex three-dimensional geometry of a porous medium. The porous structure is represented by a virtual container filled with glass beads. Phase transition…
We present a novel Material Point Method (MPM) discretization of surface tension forces that arise from spatially varying surface energies. These variations typically arise from surface energy dependence on temperature and/or concentration.…
Graphene layers are stable, hard, and relatively inert. We study how tensile stress affects $\sigma$ and $\pi$ bonds and the resulting change in the chemical activity. Stress affects more strongly $\pi$ bonds that can become chemically…
Water interactions with organic surfaces are of central importance in biological systems and many Earth system processes. Here we describe experimental studies of water collisions and uptake kinetics on liquid and solid butanol from 160 to…
Wetting transitions have been predicted and observed to occur for various combinations of fluids and surfaces. This paper describes the origin of such transitions, for liquid films on solid surfaces, in terms of the gas-surface interaction…
A widely accepted phenomenological rule states that solids with free surfaces cannot be overheated. In this work we discuss this statement critically under the light of the statistical thermodynamics of interfacial roughening transitions.…
Motivated by gravitational wave observations of binary neutron-star mergers, we study the thermal index of low-density, high-temperature dense matter. We use the virial expansion to account for nuclear interaction effects. We focus on the…
We combine a wide variety of experimental techniques to analyze two heretofore mysterious phase transitions in multiferroic bismuth ferrite at low temperature. Raman spectroscopy, resonant ultrasound spectroscopy, EPR, X-ray lattice…
In nature adaptive coloration has been effectively utilized for concealment and signaling. Various biological mechanisms have evolved that can tune the reflectivity for visible and ultraviolet light. These examples inspire many artificial…
We analyze the displacements of the particles of a glass-forming molecular liquid perpendicular to a confining solid surface, using extensive molecular dynamics simulations with atomistic models. In the vicinity of an attractive surface,…
The problem of simulating solid-state dewetting of thin films in three dimensions (3D) by using a sharp-interface approach is considered in this paper. Based on the thermodynamic variation, a speed method is used for calculating the first…
The non-equilibrium transition from a fluid-like state to a disordered solid-like state, known as the jamming transition, occurs in a wide variety of physical systems, such as colloidal suspensions and molecular fluids, when the temperature…
Thermal properties of graphene display peculiar characteristics associated to the two-dimensional nature of this crystalline membrane. These properties can be changed and tuned in the presence of applied stresses, both tensile and…
We present a density-functional theory study addressing the on-surface adsorption of oxygen at the Pd(11N) (N =3,5,7) vicinal surfaces, which exhibit (111) steps and (100) terraces of increasing width. We find the binding to be…
In the present paper, the pasta phase is studied at finite temperatures within a Thomas-Fermi (TF) approach. Relativistic mean field models, both with constant and density-dependent couplings, are used to describe this frustrated system. We…