Related papers: The two-parameter Debye model
We study the thermodynamics of a crystalline solid by applying intermediate statistics obtained by deforming known solid state models using the mathematics of $q$-analogs. We apply the resulting $q$-deformation to both the Einstein and…
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…
A model is constructed to describe the arbitrary deformation of a drop or vesicle that contains and is embedded in an electrolyte solution, where the deformation is caused by an applied electric field. The applied field produces an…
In this work, we report for the first time, detailed calculations of elastic and thermodynamic properties of organic poly(3,4-ethylenedioxythiophene), PEDOT, in an undiluted state, using PBE and PBEsol-PAW pseudopotentials within the…
Phonon spectra in solids often display anomalies that defy the simple Debye law, most prominently the van Hove singularity in crystals and the boson peak in glasses. Although traditionally regarded as distinct, both features are…
Atomic vibrations play a vital role in the functions of various physical, chemical, and biological systems. The vibrational properties and the specific heat of crystalline bulk materials are well described by Debye theory, which…
We review the theory of second--order (ferro--)elastic phase transitions, where the order parameter consists of a certain linear combination of strain tensor components, and the accompanying soft mode is an acoustic phonon. In…
Physical foundations of adiabatic and nonadiabatic electronics of materials are considered in this article. It is shown the limitation of adiabatic approach to electronics of materials. It is shown that nonadiabatic physical properties of…
Efficiently predicting properties of porous crystalline materials has great potential to accelerate the high throughput screening process for developing new materials, as simulations carried out using first principles model are often…
Using molecular dynamics we investigate the thermodynamics, dynamics and structure of 250 diatomic molecules interacting by a core-softened potential. This system exhibits thermodynamics, dynamics and structural anomalies: a maximum in…
The paper discusses a model of Van der Waals crystals in which band-gap structures do not form. An effect of strong and chaotic electron-electron repulsion, which was excluded from consideration in the traditional approach, is taken into…
The anharmonic interaction and scattering of phonons by a moving dislocation, the photon wind, imparts a drag force $v B(v, T, \rho)$ on the dislocation. In early studies the drag coefficient $B$ was computed and experimentally determined…
The adiabatic cristal model is offered. It is shown that springy nuclei oscillations relatively electronic envelops and waves of such oscillations (inherent oscillations and waves) may exist in crystals. The analysis of experimental…
The phase diagram of model anisotropic particles with four attractive patches in a tetrahedral arrangement has been computed at two different values for the range of the potential, with the aim of investigating the conditions under which a…
We investigate the thermodynamics of a crystalline solid applying q-deformed algebra of Fibonacci oscillators through the generalized Fibonacci sequence of two real and independent deformation parameters q1 and q2. We based part of our…
The Debye temperature, T${_\theta}$=(h/2${\pi}$)/k${_B}$$\omega$$_\theta$, where the Debye frequency $\omega$$_\theta$ is integrated characteristic frequency of full phonon spectrum, $\alpha$$^2$($\omega$)F($\omega$). In the BCS theory,…
Monte Carlo simulations of mono-- and polydisperse two--dimensional crystals are reported. The particles in the studied system, interacting through hard--core repulsive Yukawa potential, form a solid phase of hexagonal lattice. The elastic…
The Debye-H\"uckel equation is a fundamental physical model in chemical thermodynamics that describes the free energy (chemical potential, activity) of an ion in electrolyte solutions at variable salt concentration, temperature, and…
In this paper the relaxed micromorphic continuum model with weighted free and gradient micro-inertia is used to describe the dynamical behavior of a real two-dimensional phononic crystal for a wide range of wavelengths. In particular, a…
Glasses are amorphous solids, in the sense that they display elastic behaviour. In crystals, elasticity is associated with phonons, quantized sound-wave excitations. Phonon-like excitations exist also in glasses at very high frequencies…