Related papers: The Einstein nanocrystal
Thermodynamic properties of the one-dimensional (1D) quantum well (QW) with miscellaneous permutations of the Dirichlet (D) and Neumann (N) boundary conditions (BCs) at its edges in the perpendicular to the surfaces electric field…
Microcanonical thermodynamics (MCTh) is contrasted to canonical thermodynamics (CTh). At phase transitions of 1.order the two ensembles are NOT equivalent even in the thermodynamic limit . Energy fluctuations do not vanish and phase…
Surface energy is a fundamental property of materials and is particularly important in describing nanomaterials where atoms or molecules at the surface constitute a large fraction of the material. Traditionally, surface energy is considered…
First, second and third nearest neighbor pair mixing potentials for equiatomic FePt alloys were calculated from first principles by the Connolly-Williams method within the canonical cluster expansion formalism. Using the mixing potentials…
A new microcanonical equilibrium state is introduced for quantum systems with finite-dimensional state spaces. Equilibrium is characterised by a uniform distribution on a level surface of the expectation value of the Hamiltonian. The…
We study the energy and entropies for $N$ independent harmonic oscillators in the microcanonical and the canonical ensembles in the Tsallis classical and the Tsallis quantum statistics of entropic parameter $q$, where $N$ is the number of…
By refining the method proposed in arXiv:2010.07660, entropy current and entropy density for a relativistic hydrostatic equilibrium system with spherical symmetry are constructed as a non-Noether conserved charge in the Einstein gravity…
A self-consistent theory for the classical description of the interaction of light and matter at the nano-scale is presented, which takes into account spatial dispersion. Up to now, the Maxwell equations in nanostructured materials with…
We present a new model of warm dense matter that represents an intermediate approach between the relative simplicity of ''one-ion'' average atom models and the more realistic but computationally expensive ab initio simulation methods.…
Attempts to establish microcanonical entropy as an adiabatic invariant date back to works of Gibbs and Hertz. More recently, a consistency relation based on adiabatic invariance has been used to argue for the validity of Gibbs (volume)…
We consider the temperature fluctuations of a small object. Classical fluctuations of the temperature have been considered for a long time. Using the Nyquist approach, we show that the temperature of an object fluctuates when in a thermal…
We introduce a novel approach to sample the canonical ensemble at constant temperature and applied electric potential. Our approach can be straightforwardly implemented into any density-functional theory code. Using thermopotentiostat…
We develop a model for the thermodynamics and evaporation dynamics of aerosol droplets of a liquid such as water, surrounded by the gas. When the temperature and the chemical potential (or equivalently the humidity) are such that the vapour…
NPs are ultrafine-grain crystal or amorphous substances which are as small as 100nm. They have unique physical, chemical and mechanical properties, which are very different from those of large scale materials. This uniqueness is attributed…
I present a theoretical model of a quantum statistical ensemble for which, unlike in conventional physics, the total number of particles is extremely small. The thermodynamical quantities are calculated by taking a small $N$ by virtue of…
We present a phenomenological model of melting in nanoparticles with facets that are only partially wet by their liquid phase. We show that in this model, as the solid nanoparticle seeks to avoid coexistence with the liquid, the…
The thermodynamical property of a small cluster including $M$ Hubbard dimers, each of which is described by the two-site Hubbard model, has been discussed within the nonextensive statistics (NES). We have calculated the temperature…
When the difference between changes in energy and entropy at a given temperature is correlated with the ratio between the same changes in energy and entropy at zero average free energy of an ensemble of similar but distinct molecule-sized…
Einstein's field equations with cosmological constant are analysed for a static, spherically symmetric perfect fluid having constant density. Five new global solutions are described. One of these solutions has the Nariai solution joined on…
Much scientific and practical interest is currently focused on the atomic-scale mechanical behaviors of metallic nanocrystals with different crystal structures at room temperature, while the high-temperature plastic deformation in tungsten…