Related papers: Size effect on thermodynamic properties of free na…
A method of statistical description of thermodynamic properties of nanocrystals is developed. It is established that size-dependent quantization of vibrational modes results in formation of excess pressure of the phonon gas acting outwards…
Crystal defect statistics is developed by minimizing the Gibbs free energy of defect formation, which is commonly converted to a crystallite size-independent equation by applying Stirling's approximation. Solutions of this equation forecast…
We consider the problem of constructing the size dependence for the thermal physical properties of nano-sized objects, taking specific heat as an example. The base methodology is Hill's nanothermodynamics. Having to abstain from use of the…
In order to clarify the relationship between the phonon spectra of nanoparticles and their melting temperature, we studied in detail the size-dependent low energy vibration modes. A minimum model with atoms on a lattice and harmonic…
We show that the effect of size dependence of the melting temperature of nanocrystals may be used to govern anomalies of thermodynamic properties of nanocrystals in the premelting range. For example, if temperature of nanocrystals is near…
Using Landau-Ginzburg-Devonshire theory and effective medium approximation, we analytically calculate typical dependences of the pyroelectric and electrocaloric coefficients on external electric field, temperature and radius for spherical…
We study the thermal response of a single spherical metal nanoparticle to continuous wave illumination as a function of its size. We show that the particle temperature increases non-monotonically as the particle size increases, indicating…
This paper investigates the size effect on the coalescence process of contacting nanoparticles. It is revealed by molecular dynamics that the nanometer-sized surface curvature coupled with the effective melting temperature exhibits a strong…
To study temperature dependent elastic constants, a new computational method is proposed by combining continuum elasticity theory and first principles calculations. A Gibbs free energy function with one variable with respect to strain at…
Obtaining the free energy of large molecules from quantum mechanical energy functions is a longstanding challenge. We describe a method that allows us to estimate, at the quantum mechanical level, the harmonic contributions to the…
The dependences of the fundamental transition on the semiconductor quantum dot size obtained experimentally at various temperatures using different measuring methods are analyzed and compared. The possibility to extrapolate the results for…
The thermal conductivity of nanometric objects or nanostructured materials can be determined using non equilibrium molecular dynamics (NEMD) simulations. The technique is simple in its principle, and resembles a numerical guarded hot plate…
The thermodynamics for a system with given temperature, density, and volume is described by the Canonical ensemble. The thermodynamics for a corresponding system with the same temperature, volume, and average density is described by the…
We report size-dependent melting of spherical copper nanoparticles embedded into silica matrix. Based on the temperature dependence of the surface plasmon resonance energy and its width we observe two distinct melting regimes. For particles…
We study the size dependence of thermal conductivity in nanoscale semiconducting systems. An analytical formula including the surface scattering and the size confinement effects of phonon transport is derived. The theoretical formula gives…
For small thermodynamic systems in contact with a heat bath, we determine the free energy by imposing the following two conditions. First, the quasi-static work in any configuration change is equal to the free energy difference. Second, the…
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…
The behavior of various thermodynamic functions in the dependence of degree of energy band occupation and temperature in the one-band tight binding approximation for the crystal was studied. The Fermi energy, density of states, degeneracy…
The theory of size effects of the properties of nanocrystalline ferroelectric ceramic or nanoparticle powder allowing for surface tension and depolarization field is proposed. Surface tension was included into free energy functional and…
Multipolar plasmon oscillation frequencies and corresponding damping rates for nanospheres formed of the simplest free-electron metals are studied. The possibility of controlling plasmon features by choosing the size and dielectric…