Enhanced molecular dynamics performance with a programmable graphics processor

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware necessitates a reformulation of the underlying algorithm. Performance measurements demonstrate the considerable benefit and cost-effectiveness of such an approach, which produces a factor of 2.5 speed improvement over previous work for the case of the soft-sphere potential.Comment: 20 pages (v2: minor additions and changes; v3: corrected typos

The Evidence for a Pentaquark Signal and Kinematic Reflections

Several recent experiments have reported evidence for a narrow baryon resonance with positive strangeness ($\Theta^+$) at a mass of 1.54 GeV/$c^2$. Baryons with $S=+1$ cannot be conventional $qqq$ states and the reports have thus generated much theoretical speculation about the nature of possible $S=+1$ baryons, including a 5-quark, or pentaquark, interpretation. We show that narrow enhancements in the $K^+n$ effective mass spectrum can be generated as kinematic reflections resulting from the decay of mesons, such as the $f_2(1275)$, the $a_2(1320)$ and the $\rho_3(1690)$.Comment: 4 pages, 4 figure

Renormalization Group and Asymptotic Spin--Charge separation for Chiral Luttinger liquids

The phenomenon of Spin-Charge separation in non-Fermi liquids is well understood only in certain solvable d=1 fermionic systems. In this paper we furnish the first example of asymptotic Spin-Charge separation in a d=1 non solvable model. This goal is achieved using Renormalization Group approach combined with Ward-Identities and Schwinger-Dyson equations, corrected by the presence of a bandwidth cut-offs. Such methods, contrary to bosonization, could be in principle applied also to lattice or higher dimensional systems.Comment: 45 pages, 11 figure

Anderson-Yuval approach to the multichannel Kondo problem

We analyze the structure of the perturbation expansion of the general multichannel Kondo model with channel anisotropic exchange couplings and in the presence of an external magnetic field, generalizing to this case the Anderson-Yuval technique. For two channels, we are able to map the Kondo model onto a generalized resonant level model. Limiting cases in which the equivalent resonant level model is solvable are identified. The solution correctly captures the properties of the two channel Kondo model, and also allows an analytic description of the cross-over from the non Fermi liquid to the Fermi liquid behavior caused by the channel anisotropy.Comment: 23 pages, ReVTeX, 4 figures av. on reques

Transport properties of clean and disordered superconductors in matrix field theory

A comprehensive field theory is developed for superconductors with quenched disorder. We first show that the matrix field theory, used previously to describe a disordered Fermi liquid and a disordered itinerant ferromagnet, also has a saddle-point solution that describes a disordered superconductor. A general gap equation is obtained. We then expand about the saddle point to Gaussian order to explicitly obtain the physical correlation functions. The ultrasonic attenuation, number density susceptibility, spin density susceptibility and the electrical conductivity are used as examples. Results in the clean limit and in the disordered case are discussed respectively. This formalism is expected to be a powerful tool to study the quantum phase transitions between the normal metal state and the superconductor state.Comment: 9 page

Lattice Dynamics and the High Pressure Equation of State of Au

Elastic constants and zone-boundary phonon frequencies of gold are calculated by total energy electronic structure methods to twofold compression. A generalized force constant model is used to interpolate throughout the Brillouin zone and evaluate moments of the phonon distribution. The moments are used to calculate the volume dependence of the Gruneisen parameter in the fcc solid. Using these results with ultrasonic and shock data, we formulate the complete free energy for solid Au. This free energy is given as a set of closed form expressions, which are valid to compressions of at least V/V_0 = 0.65 and temperatures up to melting. Beyond this density, the Hugoniot enters the solid-liquid mixed phase region. Effects of shock melting on the Hugoniot are discussed within an approximate model. We compare with proposed standards for the equation of state to pressures of ~200 GPa. Our result for the room temperature isotherm is in very good agreement with an earlier standard of Heinz and Jeanloz.Comment: 13 pages, 8 figures. Accepted by Phys. Rev.

The effect of the annealing temperature on the local distortion of La0.67_{0.67}Ca0.33_{0.33}MnO3_3 thin films

Mn $K$-edge fluorescence data are presented for thin film samples (3000~\AA) of Colossal Magnetoresistive (CMR) La$_{0.67}$Ca$_{0.33}$MnO$_3$: as-deposited, and post-annealed at 1000 K and 1200 K. The local distortion is analyzed in terms of three contributions: static, phonon, and an extra, temperature-dependent, polaron term. The polaron distortion is very small for the as-deposited sample and increases with the annealing temperature. In contrast, the static distortion in the samples decreases with the annealing temperature. Although the local structure of the as-deposited sample shows very little temperature dependence, the change in resistivity with temperature is the largest of these three thin film samples. The as-deposited sample also has the highest magnetoresistance (MR), which indicates some other mechanism may also contribute to the transport properties of CMR samples. We also discuss the relationship between local distortion and the magnetization of the sample.Comment: 11 pages of Preprint format, 8 figures in one tar fil

Disordered Hubbard Model with Attraction: Coupling Energy of Cooper Pairs in Small Clusters

We generalize the Cooper problem to the case of many interacting particles in the vicinity of the Fermi level in the presence of disorder. On the basis of this approach we study numerically the variation of the pair coupling energy in small clusters as a function of disorder. We show that the Cooper pair energy is strongly enhanced by disorder, which at the same time leads to the localization of pairs.Comment: revtex, 5 pages, 6 figure

Phase transitions in two-dimensional anisotropic quantum magnets

We consider quantum Heisenberg ferro- and antiferromagnets on the square lattice with exchange anisotropy of easy-plane or easy-axis type. The thermodynamics and the critical behaviour of the models are studied by the pure-quantum self-consistent harmonic approximation, in order to evaluate the spin and anisotropy dependence of the critical temperatures. Results for thermodynamic quantities are reported and comparison with experimental and numerical simulation data is made. The obtained results allow us to draw a general picture of the subject and, in particular, to estimate the value of the critical temperature for any model belonging to the considered class.Comment: To be published on Eur. Phys. J.