Related papers: A microscopic description of vacancies in solid 4H…
We present quantum calculations of the rotational energy levels and spectroscopic rotational constants of the linear OCS molecule in variable size clusters of 4He, using spectral evolution quantum Monte Carlo methods that allow excited…
We have measured the response of a torsional oscillator containing polycrystalline hcp solid $^{4}$He to applied steady rotation in an attempt to verify the observations of several other groups that were initially interpreted as evidence…
A quantum interatomic scattering is implemented in the direct simulation Monte Carlo (DSMC) method applied to transport phenomena in rarefied gases. In contrast to the traditional DSMC method based on the classical scattering, the proposed…
We present a first-principles study of the energy and elastic properties of solid helium at pressures below the range in which is energetically stable. We find that the limit of mechanical stability in hcp 4He is $P_{s}$ = -33.82 bar, which…
We suggest that below a certain temperature T_k, the free energy for the creation of kinks-antikinks pairs in the dislocation network of solid He4 becomes negative. The underlying physical mechanism is the related liberation of vacancies…
Quantum crystals abound in the whole range of solid-state species. Below a certain threshold temperature the physical behavior of rare gases (4He and Ne), molecular solids (H2 and CH4), and some ionic (LiH), covalent (graphite), and…
We present results of a Monte Carlo study of temperature-programmed desorption in a model system with attractive lateral interactions. It is shown that even for weak interactions there are large shifts of the peak maximum temperatures with…
We have investigated the non-classical response of solid 4He confined in porous gold set to torsional oscillation. When solid helium is grown rapidly, nearly 7% of the solid helium appears to be decoupled from the oscillation below about…
The shear modulus of solid $^4$He exhibits an anomalous change of order 10%[1, 2] at low temperatures that is qualitatively similar to the much smaller frequency change in torsional oscillator experiments. We propose that in solid $^4$He…
The ground-state properties of two-dimensional liquid $^4$He at zero temperature are studied by means of a quadratic diffusion Monte Carlo method. As interatomic potential we use a revised version of the HFDHE2 Aziz potential which is…
An existence of the charge-induced instability is well known for the 4He crystal surface in the rough state. Much less is known about charge-induced instability at the 4He crystal surface in the smooth well-faceted state below the…
We show that the vacuum (zero-point) energy of a low-temperature quantum liquid is a variable property which changes with the state of the system, in notable contrast to the static vacuum energy in solids commonly considered. We further…
Diagonal and off-diagonal properties of 2D solid 4He systems doped with a quantized vortex have been investigated via the Shadow Path Integral Ground State method using the fixed-phase approach. The chosen approximate phase induces the…
Many of the purported virtues of Multi-Principal Element Alloys (MPEAs), such as corrosion, high-temperature oxidation and irradiation resistance, are highly sensitive to vacancy diffusivity. Similarly, solute interdiffusion is governed by…
The kinetics of helium gas sorption by a C60 powder and subsequent desorption of the 4He impurity from the saturated powder has been investigated in the temperature interval T = 2-292 K. Evidence is obtained that supports the existence of…
We have created an innovative natural thermostat algorithm to mimic the direct impact of temperature on interatomic distances in both a perfect crystal and a system containing a vacancy. Unlike previous research, our findings demonstrate…
We present atomic-scale computer simulations in equiatomic L1$_0$-CoPt where Molecular Dynamics and Monte Carlo techniques have both been applied to study the vacancy-atom exchange and kinetics relaxation. The atomic potential is determined…
The specific heat of a two-layer He-4 film adsorbed on a graphite substrate is estimated as a function of temperature by Quantum Monte Carlo simulations. The results are consistent with recent experimental observations, in that they broadly…
Standard results for the fluctuations of thermodynamic quantities are derived under the assumption of sampling identical systems that are in different, not fully equilibrated states. These results apply to fluctuations with time in a…
The hydrodynamics of crystals with vacancies is developed on the basis of local-equilibrium thermodynamics, where the chemical potential of vacancies plays a key role together with a constraint relating the concentration of vacancies to the…