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 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

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.

Active Vibration Isolation of Multi-Degree-of-Freedom Systems

One of the principal objectives of vibration isolation technology is to isolate sensitive equipment from a vibrating structure or to isolate the structure from an uncertain exogenous disturbance source. In this paper, a dynamic observer-based active isolator is proposed that guarantees closed-loop asymptotic stabil ity and disturbance decoupling between the vibrating structure and isolated structure. The proposed active isolator is applied to a uniaxial vibrational system and compared to an optimal linear-quadratic design.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/69073/2/10.1177_107754639900500405.pd

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

Effective action and density functional theory

The effective action for the charge density and the photon field is proposed as a generalization of the density functional. A simple definition is given for the density functional, as the functional Legendre transform of the generator functional of connected Green functions for the density and the photon field, offering systematic approximation schemes. The leading order of the perturbation expansion reproduces the Hartree-Fock equation. A renormalization group motivated method is introduced to turn on the Coulomb interaction gradually and to find corrections to the Hartree-Fock and the Kohn-Sham schemes.Comment: New references and a numerical algorithm added, to appear in Phys. Rev. B. 30 pages, no 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