Electrical resistivity of the alkaline earth metals Ca,Sr and Ba in the 50–300K temperature region

The computed values of the temperature dependent electrical resistivity is presented for the alkaline earth metals Ca, Sr and Ba. Numerical values of the mean free paths obtained using a finite mean free path approach is also reported. The structure factor has been evaluated using experimental values for the phonon spectra while local model potentials were used for the form factors. Our numerical results compare favourably with experiments.     

The wavefunction envelope in one-dimensional random potentials

We propose a formalism for the study of mean resistance of a one dimensional chain of random potentials. We obtain the resistance as a function of the length of the chain. In the asymptotic limit, this is related to the wavefunction envelope. The formalism demands loss of translational symmetry, but is general enough to include potentials with spatial correlations which are not long ranged and also those whose randomness is inhomogeneous.     

A Coulomb-related family of potentials having zero-energy bound states

We propose here a new large class of singular central potentials having zero-energy bound states for many values of angular momenta. The potentials are shown to be closely related to the standard attractive Coulomb interaction. Some of them admit the E≠0$E\ne 0$ bound states as well. A quantum–classical correspondence is also discussed.     

Surface tension in Ising systems with Kac potentials

We consider an Ising spin system with Kac potentials in a torus of ^d,d>-2, and fix the temperature below its Lebowitz-Penrose critical value. We prove that when the Kac scaling parameter vanishes, the log of the probability of an interface becomes proportional to its area and the surface tension, related to the proportionality constant, converges to the van der Waals surface tension. The results are based on the analysis of the rate functionals for Gibbsian large deviations and on the proof that they -converge to the perimeter functional of geometric measure theory (which extends the notion of area). Our considerations include nonsmooth interfaces, proving that the Gibbsian probability of an interface depends only on its area and not on its regularity.     

Constrained minima of nonlocal free energy functionals

We consider variational problems involving nonlocal free energy functionals that arise from Gibbs measures with Kac potentials and are related to the characterization of the optimal (i.e., typical) shape of an interface under given constraints on the magnetization profile.     

Field-induced self-assembly: does size matter?

ABSTRACT

Simulated external electric fields are applied to polarisable species containing either a monodisperse of bidisperse distribution of polarisabilities. The magnitude of the external field and the polarisabilities are systematically varied. The application of an external field (of sufficient magnitude) is found to induce chain formation (as expected). The monodisperse systems are found to ‘self-assemble’ with larger induced dipole moments effectively clustering in chains as a result of significant dipole-induced dipole effects. The distribution of the chain lengths is characterised as a function of the applied field and the atom polarisability. For the bidisperse systems, the external field induces chain formation and a partial segregation, in which the more polarisable species preferentially form chains. The chain lengths are again determined as a function of field strength and the atom polarisabilities. Scaling behaviour is analysed.     

Structure and Curie temperature of Y2Fe17-xCrx

The structures of Y2Fe17-xCrx are simulated by the ab initio potentials. The site preference of Cr atom in Y2Fe17 is evaluated and the order is determined as 4f, 12j, which is close to the experimental result. Based on the site preference behavior, the calculated parameters and the atom sites of Y-Fe-Cr system are studied. The result corresponds well to observed data. Further, the DOS of the relaxed structures are calculated and the variation in Curie temperature is explained qualitatively by the spin-fluctuation theory.     

Coupled channel description of O+Nd scattering around the Coulomb barrier using a complex microscopic potential

Angular distributions of elastic scattering and inelastic scattering from 2⁺₁ state are measured for ¹⁶O+^142,144,146Nd systems at several energies in the vicinity of the Coulomb barrier. The angular distributions are systematically analyzed in coupled channel framework. Renormalized double folded real optical and coupling potentials with DDM3Y interaction have been used in the calculation. Relevant nuclear densities needed to generate the potentials are derived from shell model wavefunctions. A truncated shell model calculation has been performed and the calculated energy levels are compared with the experimental ones. To simulate the absorption, a ‘hybrid’ approach is adopted. The contribution to the imaginary potential of couplings to the inelastic channels, other than the 2⁺₁ target excitation channel, is calculated in the Feshbach formalism. This calculated imaginary potential along with a short ranged volume Woods–Saxon potential to simulate the absorption in fusion channel reproduces the angular distributions for ¹⁶O+¹⁴⁶Nd quite well. But for ¹⁶O+^142,144Nd systems additional surface absorption is found to be necessary to fit the angular distribution data. The variations of this additional absorption term with incident energy and the mass of the target are explored.     

Self-trapping and Macroscopic Tunnelling of Superfluid Fermi Gases in Multi-well Potentials

We study the tunnelling dynamics of superfluid Fermi gases trapped in multi-well system along the BEC-BCS crossover. Within the hydrodynamical model and by using the multi-mode approximation, the self-trapping dynamics of superfluid Fermi gases in multi-well system are obtained numerically. We find that the self-trapping to diffusion transition strongly depends on the well number. When the well number is less than three, the self-trapped state takes place easier on the BEC side than that on the BCS side. However, when the well number is larger than three, the self-trapped state takes place easier on the BCS side instead of the BEC side. Furthermore, by considering a superfluid of 40K atoms, we obtain the zero-mode and π-mode Josephson frequencies of coherent atomic oscillations in double-well system. It is noteworthy that the Josephson mode, especially, the existence of π-mode frequency strongly depends on the atoms number on the BCS side.     

ChemInform Abstract: Evaluation of Tavorite‐Structured Cathode Materials for Lithium‐Ion Batteries Using High‐Throughput Computing.

Tavorite‐structured oxyphosphates, fluorophosphates, oxysulfates, and fluorosulfates are evaluated for use as cathode materials in lithium ion batteries and activation energies for lithium diffusion through LiVO(PO₄), LiV(PO₄)F, and LiFe(SO₄)F are calculated.