相关论文: Defect-free nanocrystals are at thermodynamic equi…
The hydrodynamics of crystals with vacancies is developed on the basis of local-equilibrium thermodynamics, where the chemical potential of vacancies plays a key role together with a constraint relating the concentration of vacancies to the…
The microscopic foundation of the generalized equilibrium statistical mechanics based on the Tsallis entropy is given by using the Gibbs idea of statistical ensembles of the classical and quantum mechanics. The equilibrium distribution…
Thermodynamics at the nanoscale is known to differ significantly from its familiar macroscopic counterpart: the possibility of state transitions is not determined by free energy alone, but by an infinite family of free-energy-like…
We discuss the thermodynamics of a gas of free particles obeying Haldane's exclusion statistics, deriving low temperature and low density expansions. For gases with a constant density of states, we derive an exact equation of state and find…
We carry out molecular dynamics (MD) and Monte Carlo (MC) simulations to characterize nucleation in liquid clusters of 600 Lennard-Jones particles over a broad range of temperatures. We use the formalism of mean first-passage times to…
The formation of self assembled structures such as micelles has been intensively studied and is well understood. The ability of a solution of amphiphilic molecules to develop micelles is depending on the concentration and characterized by…
Using the correlative method of unsymmetrized self-consistent field for strongly anharmonic crystals, the thermodynamic stability and the mechanism its loss is studied for crystals with various types of the chemical bond. The following…
In this work, a theoretical study of phase equilibrium in mixtures of a calamitic nematic liquid crystal and hard spherical nanoparticles is presented. A mean-field thermodynamic model is used, where the interactions are considered to be…
Alkali halide crystals doped with certain impurity ions show a low temperature behaviour, which differs significantly from that of pure crystals. The origin of these characteristic differences are tunneling centers formed by atomic or…
Revealing the properties of single spin defects in solids is essential for quantum applications based on solid-state systems. However, it is intractable to investigate the temperature-dependent properties of single defects, due to the low…
We applied the Tsallis statistics with the conventional expectation value to a system of free particles, adopting the equilibrium temperature which is often called the physical temperature. The entropic parameter $q$ in the Tsallis…
We report the studies of ultrafast electron nanocrystallography on size-selected Au nanoparticles (2-20 nm) supported on a molecular interface. Reversible surface melting, melting, and recrystallization were investigated with dynamical…
At low temperatures ultrasoft particle systems develop interesting phases via the self-assembly of particle clusters. In this study we develop a general zero-temperature analysis fully characterizing the ground state of such models in two…
Microcanonical equations for several thermodynamic properties of a system, suitable for molecular dynamics simulations, are derived from the nonextensive Tsallis entropy functional. Two possible definitions of temperature, the usual one and…
The observed stability of nanobubbles contradicts the well-known result in classical nucleation theory, that the critical radius is both microscopic and thermodynamically unstable. Here nanoscopic stability is shown to be the combined…
The quest for a microscopic foundation of Thermodynamics is addressed within the Nonunitary Newtonian Gravity model through the study of a specific closed system, namely a three-dimensional harmonic nanocrystal. A numerical calculation of…
The ultrathin one-dimensional sp3 diamond nanothreads (NTHs), as successfully synthesised recently, have greatly augmented the interests from the carbon community. In principle, there can exist different stable NTH structures. In this work,…
We examine the shape of a an isolated, dislocation-free ice crystal when it is in equilibrium with the vapor phase in an isothermal closed environment, as a function of temperature. From our analysis we draw the following conclusions: 1)…
Many properties of solids such as the glass state are commonly treated as nonequilibrium phenomena, which involve many conceptual difficulties. However, few studies have addressed the problem of understanding equilibrium itself. Equilibrium…
We propose a theory based on simple physical arguments that describes a non equilibrium steady-state by a temperature-like parameter (an "effective temperature"). We show how one can predict the effective temperature as a function of the…