相关论文: How to adequately describe full range intercalatio…
In this work we perform an ab-initio study of an ideal two-dimensional sample of 4He atoms, a model for 4He films adsorbed on several kinds of substrates. Starting from a realistic hamiltonian we face the microscopic study of the excitation…
We introduce a lattice model of dimers with directional interactions as a paradigm of molecular fluids or strongly correlated Cooper pairs in electronic systems. The model supports an intermediate phase that is common to both systems. There…
We show how to obtain a complete set of electromagnetic corrections to a given nonperturbative model of strong interactions based on integral equations. The gauge invariance of these corrections is a consequence of their completeness.
The problem of noninteracting electrons in the presence of annealed magnetic disorder, in addition to nonmagnetic quenched disorder, is considered. It is shown that the proper physical interpretation of this model is one of electrons…
We consider an isolated point defect embedded in a homogeneous crystalline solid. We show that, in the harmonic approximation, a periodic supercell approximation of the formation free energy as well as of the transition rate between two…
Perfect-crystal neutron interferometry has been a useful tool in measuring nuclear-interactions, probing fundamental physics, and exploring quantum phenomenon. Historically, neutron interferometry experiments have been carried out at room…
New methods are presented which enables one to analyze the thermodynamics of systems with long-range interactions. Generically, such systems have entropies which are non-extensive, (do not scale with the size of the system). We show how to…
Understanding ion-matter interactions at the atomistic level is key to advancing materials for the semiconductor industry, space systems, and nuclear fusion technologies. However, most atomistic frameworks still rely on simplified…
The calculation of the discrete atomistic energy of a crystal near the continuum limit encounters difficulties caused by the geometric discrepancy between the continuum region occupied by the body, and the discrete collection of lattice…
We elucidate the thermodynamics of sodium (Na) intercalation into the sodium super-ionic conductor (NaSICON)-type electrode, Na$_x$V$_2$(PO$_4$)$_3$, for promising Na-ion batteries with high-power density. This is the first report of a…
Antiferroelectric liquid crystals can be considered as a promising alternative to nematic mixtures in the area of microdisplays. Switching behaviour of the molecules has been modelled as two adjacent smectic layers. However, some studies…
A two-components isospin lattice gas model has been employed to study the liquid-gas phase transition for asymmetric nuclear matter. An additional degree of freedom, namely, the asymmetry parameter alpha has been considered carefully for…
We present lattice-gas modeling of the steady-state behavior in CO oxidation on the facets of nanoscale metal clusters, with coupling via inter-facet CO diffusion. The model incorporates the key aspects of reaction process, such as rapid CO…
In standard treatments of electron transport, momentum relaxation in a perfect, defect-free crystal is linked with phonon creation or annihilation. In this work, we reconsider this problem for a finite, isolated crystal, retaining the…
Inclusive electron scattering from nuclei at large x and $Q^2$ is the result of a reaction mechanism that includes both quasi--elastic scattering from nucleons and deep inelastic scattering from the quark constituents of the nucleons. Data…
Understanding the non-equilibrium behavior of stainless steel under extreme electronic excitation remains a critical challenge for laser processing and radiation science. We employ a hybrid framework integrating density-functional tight…
High-precision measurements in neutrino oscillation experiments require a very accurate description of the lepton-nucleus scattering process. Several cross-section calculations are available, but important discrepancies are still present…
In view of the fact that the data on neutrino mixing are still compatible with a situation where Bimaximal mixing is valid in first approximation and it is then corrected by terms of order of the Cabibbo angle, arising from the…
Selective optical excitation of a substrate lattice can drive phase changes across hetero-interfaces. This phenomenon is a non-equilibrium analogue of static strain control in heterostructures and may lead to new applications in optically…
It has been shown that to calculate the parameters of the electrostatic field of the ion crystal lattice it sufficient to take into account ions located at a distance of 1-2 lattice spacings. More distant ions make insignificant…