Droplets and the configurational entropy crisis for random first order transitions

We consider the effect of droplet excitations in the random first order transition theory of glasses on the configurational entropy. The contribution of these excitations is estimated both at and above the ideal glass transition temperature. The temperature range where such excitations could conceivably modify or `round-out' an underlying glass transition temperature is estimated, and found to depend strongly on the surface tension between locally metastable phases in the supercooled liquid. For real structural glasses this temperature range is found to be very narrow, consistent with the quantitative success of the theory. For certain finite-range spin-glass models, however, the surface tension is estimated to be significantly lower leading to much stronger entropy renormalizations, thus providing an explanation for the lack of a strict thermodynamic glass transition in simulations of these models.Comment: 5 page

Multi-beam Energy Moments of Multibeam Particle Velocity Distributions

High resolution electron and ion velocity distributions, f(v), which consist of N effectively disjoint beams, have been measured by NASA's Magnetospheric Multi-Scale Mission (MMS) observatories and in reconnection simulations. Commonly used standard velocity moments generally assume a single mean-flow-velocity for the entire distribution, which can lead to counterintuitive results for a multibeam f(v). An example is the (false) standard thermal energy moment of a pair of equal and opposite cold particle beams, which is nonzero even though each beam has zero thermal energy. By contrast, a multibeam moment of two or more beams has no false thermal energy. A multibeam moment is obtained by taking a standard moment of each beam and then summing over beams. In this paper we will generalize these notions, explore their consequences and apply them to an f(v) which is sum of tri-Maxwellians. Both standard and multibeam energy moments have coherent and incoherent forms. Examples of incoherent moments are the thermal energy density, the pressure and the thermal energy flux (enthalpy flux plus heat flux). Corresponding coherent moments are the bulk kinetic energy density, the RAM pressure and the bulk kinetic energy flux. The false part of an incoherent moment is defined as the difference between the standard incoherent moment and the corresponding multibeam moment. The sum of a pair of corresponding coherent and incoherent moments will be called the undecomposed moment. Undecomposed moments are independent of whether the sum is standard or multibeam and therefore have advantages when studying moments of measured f(v).Comment: 27 single-spaced pages. Three Figure

Sunjammer

No abstract available

Analytical and Numerical Treatment of the Mott--Hubbard Insulator in Infinite Dimensions

We calculate the density of states in the half-filled Hubbard model on a Bethe lattice with infinite connectivity. Based on our analytical results to second order in $t/U$, we propose a new `Fixed-Energy Exact Diagonalization' scheme for the numerical study of the Dynamical Mean-Field Theory. Corroborated by results from the Random Dispersion Approximation, we find that the gap opens at $U_{\rm c}=4.43 \pm 0.05$. Moreover, the density of states near the gap increases algebraically as a function of frequency with an exponent $\alpha=1/2$ in the insulating phase. We critically examine other analytical and numerical approaches and specify their merits and limitations when applied to the Mott--Hubbard insulator.Comment: 22 pages, 16 figures; minor changes (one reference added, included comparison with Falicov-Kimball model

Protein Structure Prediction: The Next Generation

Over the last 10-15 years a general understanding of the chemical reaction of protein folding has emerged from statistical mechanics. The lessons learned from protein folding kinetics based on energy landscape ideas have benefited protein structure prediction, in particular the development of coarse grained models. We survey results from blind structure prediction. We explore how second generation prediction energy functions can be developed by introducing information from an ensemble of previously simulated structures. This procedure relies on the assumption of a funnelled energy landscape keeping with the principle of minimal frustration. First generation simulated structures provide an improved input for associative memory energy functions in comparison to the experimental protein structures chosen on the basis of sequence alignment

Prolongations of Geometric Overdetermined Systems

We show that a wide class of geometrically defined overdetermined semilinear partial differential equations may be explicitly prolonged to obtain closed systems. As a consequence, in the case of linear equations we extract sharp bounds on the dimension of the solution space.Comment: 22 pages. In the second version, a comparison with the classical theory of prolongations was added. In this third version more details were added concerning our construction and especially the use of Kostant's computation of Lie algebra cohomolog

A Cation-π Interaction Discriminates among Sodium Channels That Are Either Sensitive or Resistant to Tetrodotoxin Block

Voltage-gated sodium channels control the upstroke of the action potential in excitable cells of nerve and muscle tissue, making them ideal targets for exogenous toxins that aim to squelch electrical excitability. One such toxin, tetrodotoxin (TTX), blocks sodium channels with nanomolar affinity only when an aromatic Phe or Tyr residue is present at a specific location in the external vestibule of the ion-conducting pore. To test whether TTX is attracted to Tyr401 of NaV1.4 through a cation-{pi} interaction, this aromatic residue was replaced with fluorinated derivatives of Phe using in vivo nonsense suppression. Consistent with a cation-{pi} interaction, increased fluorination of Phe401, which reduces the negative electrostatic potential on the aromatic face, caused a monotonic increase in the inhibitory constant for block. Trifluorination of the aromatic ring decreased TTX affinity by ~50-fold, a reduction similar to that caused by replacement with the comparably hydrophobic residue Leu. Furthermore, we show that an energetically equivalent cation-{pi} interaction underlies both use-dependent and tonic block by TTX. Our results are supported by high level ab initio quantum mechanical calculations applied to a model of TTX binding to benzene. Our analysis suggests that the aromatic side chain faces the permeation pathway where it orients TTX optimally and interacts with permeant ions. These results are the first of their kind to show the incorporation of unnatural amino acids into a voltage-gated sodium channel and demonstrate that a cation-{pi} interaction is responsible for the obligate nature of an aromatic at this position in TTX-sensitive sodium channels

Super-Alfv\'enic propagation of reconnection signatures and Poynting flux during substorms

The propagation of reconnection signatures and their associated energy are examined using kinetic particle-in-cell simulations and Cluster satellite observations. It is found that the quadrupolar out-of-plane magnetic field near the separatrices is associated with a kinetic Alfv\'en wave. For magnetotail parameters, the parallel propagation of this wave is super-Alfv\'enic (V_parallel ~ 1500 - 5500 km/s) and generates substantial Poynting flux (S ~ 10^-5 - 10^-4 W/m^2) consistent with Cluster observations of magnetic reconnection. This Poynting flux substantially exceeds that due to frozen-in ion bulk outflows and is sufficient to generate white light aurora in the Earth's ionosphere.Comment: Submitted to PRL on 11/1/2010. Resubmitted on 4/5/201