Related papers: Thermodynamic functions of harmonic Coulomb crysta…
The properties of crystals consisting of several components can be widely tuned. Often solid solutions are produced, where substitutional or interstitional disorder determines the crystal thermodynamic and mechanical properties. The…
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…
The mechanical properties of thermally excited two-dimensional crystalline membranes can depend dramatically on their geometry and topology. A particularly relevant example is the effect on the crumpling transition of holes in the membrane.…
A free-energy functional that contains both the symmetry conserved and symmetry broken parts of the direct pair correlation function has been used to investigate the freezing of a system of hard spheres into crystalline and amorphous…
We investigate the thermodynamic properties and the lattice stability of two-dimensional crystalline membranes, such as graphene and related compounds, in the low temperature quantum regime $T\rightarrow0$. A key role is played by the…
Elastic constants and zone-boundary phonon frequencies of gold are calculated by total energy electronic structure methods to twofold compression. A generalized force constant model is used to interpolate throughout the Brillouin zone and…
Any interface boundary in an equilibrium system of Coulomb particles is accompanied by the existence of a finite difference in the average electrostatic potential through this boundary. The discussed interface potential drop is a…
Finite temperature charmonium spectral functions in the pseudoscalar and vector channels are studied in lattice QCD with 2+1 flavours of dynamical Wilson quarks, on fine isotropic lattices (with a lattice spacing of 0.057 fm), with a…
The atomic scale is the only relevant thermodynamic scale in our universe, since quantum properties restrict classical considerations of subatomic physics and disappear for larger scales. Then the characteristic energy that dictates the…
The calculations of thermal conductivity requires to know anharmonic properties of the crystal. For this purpose a non-perturbative anharmonic theory is applied, which do not make use of the potential energy expansion over atomic…
Many body trial wave functions are the key ingredient for accurate Quantum Monte Carlo estimates of total electronic energies in many electron systems. In the Coupled Electron-Ion Monte Carlo method, the accuracy of the trial function must…
We study the temperature dependence of static and dynamic responses of Coulomb interacting particles in two-dimensional traps across the thermal crossover from an amorphous solid- to liquid-like behaviors. While static correlations, that…
Certain classes of strongly correlated systems promise high thermopower efficiency, but a full understanding of correlation effects on the Seebeck coefficient is lacking. This is partly due to limitations of Boltzmann-type approaches. One…
Using the explicit rational conformal field theory partition functions for the ${\mathbb Z}_k$ parafermion quantum Hall states on a disk we compute numerically the thermoelectric power factor for Coulomb-blockaded islands at finite…
We present a measurement and analysis scheme for determining traceable thermodynamic temperature at cryogenic temperatures using Coulomb blockade thermometry. The uncertainty of the electrical measurement is improved by utilizing two…
We present a study of thermodynamic properties of suspensions of charged colloids on the basis of linear Poisson-Boltzmann theory. We calculate the effective Hamiltonian of the colloids by integrating out the ionic degrees of freedom…
Mechanisms that stabilize quasicrystals are much discussed but not finally resolved. We confirm the random tiling hypothesis and its predictions in a fully atomistic decagonal quasicrystal model by calculating the free energy and the phason…
We consider a Hamiltonian description of the vibrations of a clamped, elastic circular plate. The Hamiltonian of this system features a potential energy with two distinct contributions: one that depends on the local mean curvature of the…
We study a partially ionized hydrogen plasma by means of quantum molecular dynamics, which is based on wave packets. We introduce a new model which distinguishes between free and bound electrons. The free electrons are modelled as Gaussian…
We develop a microscopic theory to analyze the phase behaviour and compute correlation functions of dense assemblies of soft repulsive particles both at finite temperature, as in colloidal materials, and at vanishing temperature, a…