Mechanical properties of Li-Sn alloys for Li-ion battery anodes: A first-principles perspective

© 2016 Author(s). Fracture and pulverization induced by large stress during charging and discharging may lead to the loss of electrical contact and capacity fading in Sn anode materials. A good understanding of mechanical properties is necessary for their optimal design under different lithiation states. On the basis of first-principles calculations, we investigate the stress-strain relationships of Li-Sn alloys under tension. The results show that the ideal tensile strengths of Li-Sn alloys vary as a function of Li concentration, and with the increase of Li+ concentration, the lowest tensile strength decreases from 4.51 GPa (Sn) to 1.27 GPa (Li7Sn2). This implies that lithiation weakens the fracture resistance of Li-Sn alloys

Interferometer-Type Structures for Guided Atoms

We experimentally demonstrate interferometer-type guiding structures for neutral atoms based on dipole potentials created by micro-fabricated optical systems. As a central element we use an array of atom waveguides being formed by focusing a red-detuned laser beam with an array of cylindrical microlenses. Combining two of these arrays, we realize X-shaped beam splitters and more complex systems like the geometries for Mach-Zehnder and Michelson-type interferometers for atoms.Comment: 4 pages, 6 figure

A fluorescent polarization-based assay for the identification of disruptors of the RCAN1/calcineurin A protein complex

5 pages, 4 figures, a table. 19891949 [PubMed]Calcineurin is a Ca(2+)/calmodulin-dependent serine/threonine protein phosphatase involved in many biological processes and developmental programs, including immune response. One of the most studied substrates of calcineurin is the transcription factor NFAT (nuclear factor of activated T cells) responsible for T-cell activation. Different anticalcineurin drugs, such as cyclosporine A and FK506, are the most commonly used immunosuppressants in transplantation therapies. Unfortunately, their mechanism of action, completely blocking the calcineurin phosphatase activity while also requiring continuous administration, bears severe side effects. During recent years, the family of regulators of calcineurin (RCAN) has been described and studied extensively as modulators of calcineurin signaling pathways. The RCAN1 region, spanning amino acids 198 to 218 and responsible for inhibiting the calcineurin-NFAT signaling pathway in vivo, has been identified. An RCAN1-derived peptide spanning this sequence interferes with the calcineurin-NFAT interaction without affecting the general calcineurin phosphatase activity. Here we report the development of an optimized in vitro high-throughput fluorescence polarization assay based on the disruption of the RCAN1(198-218)-CnA interaction for identifying molecules with immunosuppressant potential. This approach led us to identify dipyridamole as a disruptor of such interaction. Moreover, three small molecules with a potential immunosuppressive effect were also identifiedThis work was supported by grants from Fundació La Marató de TV3 (Ref. 030830), the Spanish Ministry of Education and Science (SAF2006-04815, BIO2004-00998, BIO2007-60066, CTQ2005-00995/BQU), the Fundación Mutua Madrileña 2007 and from the Generalitat de Catalunya (Ref. 2006 BE 00051)Peer reviewe

Charge-density-wave order parameter of the Falicov-Kimball model in infinite dimensions

In the large-U limit, the Falicov-Kimball model maps onto an effective Ising model, with an order parameter described by a BCS-like mean-field theory in infinite dimensions. In the small-U limit, van Dongen and Vollhardt showed that the order parameter assumes a strange non-BCS-like shape with a sharp reduction near T approx T_c/2. Here we numerically investigate the crossover between these two regimes and qualitatively determine the order parameter for a variety of different values of U. We find the overall behavior of the order parameter as a function of temperature to be quite anomalous.Comment: (5 pages, 3 figures, typeset with ReVTeX4

Influence of temperature fluctuations on plasma turbulence investigations with Langmuir probes

The reliability of Langmuir probe measurements for plasma-turbulence investigations is studied on GEMR gyro-fluid simulations and compared with results from conditionally sampled I-V characteristics as well as self-emitting probe measurements in the near scrape-off layer of the tokamak ASDEX Upgrade. In this region, simulation and experiment consistently show coherent in-phase fluctuations in density, plasma potential and also in electron temperature. Ion-saturation current measurements turn out to reproduce density fluctuations quite well. Fluctuations in the floating potential, however, are strongly influenced by temperature fluctuations and, hence, are strongly distorted compared to the actual plasma potential. These results suggest that interpreting floating as plasma-potential fluctuations while disregarding temperature effects is not justified near the separatrix of hot fusion plasmas. Here, floating potential measurements lead to corrupted results on the ExB dynamics of turbulent structures in the context of, e.g., turbulent particle and momentum transport or instability identification on the basis of density-potential phase relations

Numerical simulations of current generation and dynamo excitation in a mechanically-forced, turbulent flow

The role of turbulence in current generation and self-excitation of magnetic fields has been studied in the geometry of a mechanically driven, spherical dynamo experiment, using a three dimensional numerical computation. A simple impeller model drives a flow which can generate a growing magnetic field, depending upon the magnetic Reynolds number, Rm, and the fluid Reynolds number. When the flow is laminar, the dynamo transition is governed by a simple threshold in Rm, above which a growing magnetic eigenmode is observed. The eigenmode is primarily a dipole field tranverse to axis of symmetry of the flow. In saturation the Lorentz force slows the flow such that the magnetic eigenmode becomes marginally stable. For turbulent flow, the dynamo eigenmode is suppressed. The mechanism of suppression is due to a combination of a time varying large-scale field and the presence of fluctuation driven currents which effectively enhance the magnetic diffusivity. For higher Rm a dynamo reappears, however the structure of the magnetic field is often different from the laminar dynamo; it is dominated by a dipolar magnetic field which is aligned with the axis of symmetry of the mean-flow, apparently generated by fluctuation-driven currents. The fluctuation-driven currents have been studied by applying a weak magnetic field to laminar and turbulent flows. The magnetic fields generated by the fluctuations are significant: a dipole moment aligned with the symmetry axis of the mean-flow is generated similar to those observed in the experiment, and both toroidal and poloidal flux expulsion are observed.Comment: 14 pages, 14 figure

Parallel tempering in full QCD with Wilson fermions

We study the performance of QCD simulations with dynamical Wilson fermions by combining the Hybrid Monte Carlo algorithm with parallel tempering on $10^4$ and $12^4$ lattices. In order to compare tempered with standard simulations, covariance matrices between sub-ensembles have to be formulated and evaluated using the general properties of autocorrelations of the parallel tempering algorithm. We find that rendering the hopping parameter $\kappa$ dynamical does not lead to an essential improvement. We point out possible reasons for this observation and discuss more suitable ways of applying parallel tempering to QCD.Comment: 16 pages, 3 figure