Related papers: The elastic constants of solid 4He under pressure:…
In this work, the elastic and thermodynamic properties of Pt$_{3}$Al under high pressure are investigated using density functional theory within the generalized gradient approximation. The results of bulk modulus and elastic constants at…
Based on the pseudospin model of the deformed CsH$_2$PO$_4$ crystal within the Glauber method, the equation for the time-dependent mean value of the pseudospin is obtained, which is solved in the case of small deviations from the…
We use the path-integral Monte Carlo (PIMC) method and state-of-the-art two-body and three-body potentials to calculate the fourth virial coefficients $D(T)$ of $^4$He and $^3$He as functions of temperature from 2.6K to 2000K. We derive…
The diffusion Monte Carlo technique is used to calculate and analyze the excitation spectrum of $^3$He atoms bound to a cluster of $^4$He atoms, by using a previously determined optimum filling of single-fermion orbits with well defined…
We present results of the search for supersolid 4He using low-frequency, low-level mechanical excitation of a solid sample grown and cooled at fixed volume. We have observed low frequency non-linear resonances that constitute anomalous…
We report a detailed investigation of the elastic properties of Rb4LiH3(SO4)4 measured as a function of temperature and pressure. Rb4LiH3(SO4)4 is known to show a 4 - 2 ferroelastic phase transition at Tc = 134 K. In order to clarify the…
Kinetically constrained models (KCMs) have gained much interest as models that assign the origins of interesting dynamic properties of supercooled liquids to dynamical facilitation mechanisms that have been revealed in many expreiments and…
Liquid crystal elastomers are rubber-like solids with liquid crystalline mesogens (stiff, rod-like molecules) incorporated either into the main chain or as a side chain of the polymer. These solids display a range of unusual…
The rigid double-torus torsional oscillator (TO) is constructed to reduce any elastic effects in-herent to complicate TO structures, allowing explicit probing for a genuine supersolid signature. We investigated the frequency- and…
Two first-principles simulation techniques, path integral Monte Carlo (PIMC) and density functional molecular dynamics (DFT-MD), are applied to study hot, dense helium in the density-temperature range of 0.387 - 5.35 g/cc and 500 K -…
The longitudinal (e,e') response function of 4He is calculated precisely with full final state interaction. The explicit calculation of the four-body continuum states is avoided by the method of integral transforms. Precision tests of the…
We revisited the phase diagram of the second layer of 4He on top of graphite using quantum Monte Carlo methods. Our aim was to explore the existence of the novel phases suggested recently in experimental works, and determine their…
We present a systematic ab initio study of the thermoelastic properties of hcp osmium as functions of temperature and pressure within the quasi-harmonic approximation (QHA). The precision of the Zero Static Internal Stress Approximation…
The momentum distribution and atomic kinetic energy of the two isotopes of helium in a liquid mixture at temperature T=2 K are computed by quantum Monte Carlo simulations. Quantum statistics is fully included for He-4, whereas He-3 atoms…
Diffusion Monte Carlo results for the phonon-roton excitation branch in bulk liquid $^4$He at zero temperature are presented. The sign problem associated to the excited wave function has been dealt both with the fixed-node approximation and…
At low temperature, T -> 0, the yield stress of a perfect crystal is equal to its so called theoretical strength. The yield stress of non-perfect crystals is controlled by the stress threshold of dislocation mobility. A non-crystalline…
A method is presented to calculate from first principles the higher-order elastic constants of a solid material. The method relies on finite strain deformations, a density functional theory approach to calculate the Cauchy stress tensor,…
We have carried out a microscopic study of the dynamic structure factor of liquid $^4$He across the normal-superfluid transition temperature using the path integral Monte Carlo method. The ill-posed problem of the inverse Laplace transform,…
We model the low-temperature specific heat of solid $^4$He in the hexagonal closed packed structure by invoking two-level tunneling states in addition to the usual phonon contribution of a Debye crystal for temperatures far below the Debye…
We present precise path-integral Monte-Carlo results for the thermodynamics of a homogeneous dilute Bose gas. Pressure and energy are calculated as a function of temperature both below and above the Bose-Einstein transition. Specifically,…