Related papers: Frequency dependent specific heat of viscous silic…
We use molecular dynamics computer simulations to calculate the frequency dependence of the specific heat of a SiO_2 melt. The ions interact with the BKS potential and the simulations are done in the NVE ensemble. We find that the frequency…
Frequency-dependence of specific heat in supercooled hard sphere liquid is computed using quantum mode-coupling theory (QMCT). Mode-coupling equations are solved using recently proposed perturbative method that allows to study relaxation in…
We have studied the relation between the structural relaxation and the frequency dependent thermal response or the specific heat, $c_p(\omega)$, in a supercooled liquid. The Mode Coupling Theory (MCT) results are used to obtain…
Upon rapid quenching of temperature of a glass forming liquid, the system falls out of equilibrium due its finite relaxation time. Additionally, the relaxation becomes progressively slower with time. The created nonequilibrium state of the…
We investigate to what extent the specific heat of amorphous silica can be calculated within the harmonic approximation. For this we use molecular dynamics computer simulations to calculate, for a simple silica model (the BKS potential),…
Using empirical potential molecular dynamics we compute dynamical matrix eigenvalues and eigenvectors for a 4096 atom model of amorphous silicon and a set of models with voids of different size based on it. This information is then employed…
Molecular origin of the well-known specific heat anomaly in supercooled liquid water is investigated here by using extensive computer simulations and theoretical analyses. A rather sharp increase in the values of isobaric specific heat with…
We present the results of a large scale molecular dynamics computer simulation in which we investigated the static and dynamic properties of a silica melt in the temperature range in which the viscosity of the system changes from O(10^-2)…
Using molecular dynamics computer simulations we investigate how in silica the glass transition and the properties of the resulting glass depend on the cooling rate with which the sample is cooled. By coupling the system to a heat bath with…
We use molecular dynamics computer simulations to study the relaxation dynamics of a viscous melt of silica. The coherent and incoherent intermediate scattering functions, F_d(q,t) and F_s(q,t), show a crossover from a nearly exponential…
We present a novel method of measuring the frequency dependent specific heat at the glass transition applied to 5-polyphenyl-4-ether. The method employs thermal waves effusing radially out from the surface of a spherical thermistor that…
The specific heat of ultra-thin free-standing membranes is calculated using the elastic continuum model. We first obtain the dispersion relations of the discrete set of acoustic modes in the system. The specific heat is then calculated by…
The frequency-dependent mean free paths (MFPs) of vibrational heat carriers in amorphous silicon are predicted from the length dependence of the spectrally decomposed heat current (SDHC) obtained from non-equilibrium molecular dynamics…
Using a large scale molecular dynamics computer simulation we investigate the dynamics of a supercooled melt of SiO_2. We find that with increasing temperature the temperature dependence of the diffusion constants crosses over from an…
In this brief report, we attention to the system of two qubits modeled by Heisenberg XXZ chain with the Dzyaloshinskii Moriya interaction. The system exposed to bosonic baths with the Cauchy Lorentz distribution of frequency. We've got a…
The optical properties of monocrystalline, intrinsic silicon are of interest for technological applications as well as fundamental studies of atom-surface interactions. For an enhanced understanding, it is of great interest to explore…
The superconducting transition temperatures of high-Tc compounds based on copper, iron, ruthenium and certain organic molecules are discovered to be dependent on bond lengths, ionic valences, and Coulomb coupling between electronic bands in…
A molecular dynamics simulation is performed for a supercooled liquid of rigid diatomic molecules. The time-dependent self and collective density correlators of the molecular centers of mass are determined and compared with the predictions…
As a first step towards the understanding of the thermodynamical properties of quasiperiodic structures, we have performed both analytical and numerical calculations associated with succesive hierarchical approximations to multiscale…
We study the frequency dependence of the optical conductivity $\text{Re} \, \sigma(\omega)$ of the Heisenberg spin-$1/2$ chain in the thermal and near the transition to the many-body localized phase induced by the strength of a random…