Kinetic energy and spin-orbit splitting in nuclei near neutron drip line

Two important ingredients of nuclear shell-structure, kinetic energy and spin-orbit splitting, are studied as a function of orbital angular momenta \ell and binding energies, when binding energies of neutrons decrease towards zero. If we use the standard parameters of the Woods-Saxon potential in \beta stable nuclei and approach the limit of zero binding energy from 10 MeV, the spin-orbit splitting for n=1 orbitals decreases considerably for \ell=1, while for \ell > 2 little decreasing is observed in the limit. In contrast, the kinetic energy decreases considerably for \ell \simleq 3. The smaller the \ell values of orbitals, the larger the decreasing rate of both kinetic energy and spin-orbit splitting. The dependence of the above bservation on the diffuseness of potentials is studied.Comment: 12 pages, 3 figures, submitted to Nucl. Phy

Molecular dynamics study on thermal dehydration process of epsomite (MgSO4.7H2O)

Water vapour sorption in salt hydrates is one of the most promising means of compact, low loss and long-term solar heat storage in the built environment. Among all, epsomite (MgSO4·7H2O) excels for its high-energy storage density and vast availability. However, in practical applications, the slow kinetics and evident structural changes during hydration and dehydration significantly jeopardise the heat storage/recovery rate. A molecular dynamics (MD) study is carried out to investigate the thermal properties and structural changes in the thermal dehydration process of the epsomite. The MD simulation is carried out at 450 K and a vapour pressure of 20 mbar, in accordance with experimental heat storage conditions. The study identifies the dehydration as multiple stages from the initial quick water loss and collapse of the crystal framework to the adsorption of water molecules, which inhibits complete dehydration. Further, the anisotropic diffusion behaviour supports the important role of the porous matrix structure in the heat and mass transfer process. The enthalpy changes, partial densities, mass diffusion coefficients of water and radial distribution functions are calculated and compared with corresponding experimental data to support the conclusions

Characterization of sugar alcohols as seasonal heat storage media - experimental and theoretical investigations

Sugar alcohols are under investigation as phase change materials for long term heat storage applications. The thermal performance in such systems is strongly dominated by the nucleation and crystal growth kinetics, which is further linked to the crystal-melt interfacial free energy (surface tension), the latent heat, and the viscosity. We carry out a comprehensive study of sugar alcohols to examine their thermodynamic and kinetic properties, from both experiments and theoretical calculations. The theoretical study follows a bottom-up approach. A generalized AMBER force field obtained from first principle calculations is selected to construct the molecular models. Heat capacity, self-diffusion constant, viscosity, latent heat, and interfacial free energy of selected model materials are calculated through molecular dynamic simulations. In the experimental study, differential scanning calorimetry and viscosity measurements are performed. Also, the kinetics of the crystal growth is examined using a microscope. The experimental results are integrated with the Rozmanov model, and a strong dependence of growth speed on the degree of subcooling is identified. All the experimental measurements are compared with our theoretical work, and the results showed good agreement. The methodologies used in the calculation are proved effective and reliable for future prediction of unknown systems. In this study, the high viscosity and the high interfacial free energy are both found responsible for the sluggish kinetics of nucleation and crystal growth in sugar alcohols

Reduction of three-band model for copper oxides to single-band generalized t~-~J model

A three-band model for copper oxides in the region of parameters where the second hole on the copper has energy close to the first hole on the oxygen is considered. The exact solution for one hole on a ferromagnetic background of the ordered copper spins is obtained. A general procedure for transformation of the primary Hamiltonian to the Hamiltonian of singlet and triplet excitations is proposed. Reduction of the singlet-triplet Hamiltonian to the single-band Hamiltonian of the generalized t~-~J model is performed. A comparison of the solution for the generalized t~-~J model on a ferromagnetic background with the exact solution shows a very good agreement.Comment: 20 pages (LATEX

Asymptotic function for multi-growth surfaces using power-law noise

Numerical simulations are used to investigate the multiaffine exponent $\alpha_q$ and multi-growth exponent $\beta_q$ of ballistic deposition growth for noise obeying a power-law distribution. The simulated values of $\beta_q$ are compared with the asymptotic function $\beta_q = \frac{1}{q}$ that is approximated from the power-law behavior of the distribution of height differences over time. They are in good agreement for large $q$. The simulated $\alpha_q$ is found in the range $\frac{1}{q} \leq \alpha_q \leq \frac{2}{q+1}$. This implies that large rare events tend to break the KPZ universality scaling-law at higher order $q$.Comment: 5 pages, 4 figures, to be published in Phys. Rev.

Direct (Hetero)Arylation Polymerization of a Spirobifluorene and a Dithienyl-Diketopyrrolopyrrole Derivative: New Donor Polymers for Organic Solar Cells

The synthesis and preliminary evaluation as donor material for organic photovoltaics of the poly(diketopyrrolopyrrole-spirobifluorene) (PDPPSBF) is reported herein. Prepared via homogeneous and heterogeneous direct (hetero)arylation polymerization (DHAP), through the use of different catalytic systems, conjugated polymers with comparable molecular weights were obtained. The polymers exhibited strong optical absorption out to 700 nm as thin-films and had appropriate electronic energy levels for use as a donor with PC70BM. Bulk heterojunction solar cells were fabricated giving power conversion efficiencies above 4%. These results reveal the potential of such polymers prepared in only three steps from affordable and commercially available starting material

The wave packet propagation using wavelets

It is demonstrated that the wavelets can be used to considerably speed up simulations of the wave packet propagation in multiscale systems. Extremely high efficiency is obtained in the representation of both bound and continuum states. The new method is compared with the fast Fourier algorithm. Depending on ratios of typical scales of a quantum system in question, the wavelet method appears to be faster by a few orders of magnitude.Comment: Latex 7 pages, 3 colored figures (Fig1 postscript, Fig2,3 gif) in files separate from the pape

Damping signatures in future neutrino oscillation experiments

We discuss the phenomenology of damping signatures in the neutrino oscillation probabilities, where either the oscillating terms or the probabilities can be damped. This approach is a possibility for tests of non-oscillation effects in future neutrino oscillation experiments, where we mainly focus on reactor and long-baseline experiments. We extensively motivate different damping signatures due to small corrections by neutrino decoherence, neutrino decay, oscillations into sterile neutrinos, or other mechanisms, and classify these signatures according to their energy (spectral) dependencies. We demonstrate, at the example of short baseline reactor experiments, that damping can severely alter the interpretation of results, e.g., it could fake a value of $\sin(2\theta_{13})$ smaller than the one provided by Nature. In addition, we demonstrate how a neutrino factory could constrain different damping models with emphasis on how these different models could be distinguished, i.e., how easily the actual non-oscillation effects could be identified. We find that the damping models cluster in different categories, which can be much better distinguished from each other than models within the same cluster.Comment: 33 pages, 5 figures, LaTeX. Final version published in JHE

Localized Random Lasing Modes and a New Path for Observing Localization

We demonstrate that a knowledge of the density-of-states and the eigenstates of a random system without gain, in conjunction with the frequency profile of the gain, can accurately predict the mode that will lase first. Its critical pumping rate can be also obtained. It is found that the shape of the wavefunction of the random system remains unchanged as gain is introduced. These results were obtained by the time-independent transfer matrix method and finite-difference-time-domain (FDTD) methods. They can be also analytically understood by generalizing the semi-classical Lamb theory of lasing in random systems. These findings provide a new path for observing the localization of light, such as looking for mobility edge and studying the localized states. %inside the random systems..Comment: Sent to PRL. 3 figure