Nonequilibrium candidate Monte Carlo: A new tool for efficient equilibrium simulation

Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also rapidly sample uncorrelated configurations. Here, we introduce a new class of moves based on nonequilibrium dynamics: candidate configurations are generated through a finite-time process in which a system is actively driven out of equilibrium, and accepted with criteria that preserve the equilibrium distribution. The acceptance rule is similar to the Metropolis acceptance probability, but related to the nonequilibrium work rather than the instantaneous energy difference. Our method is applicable to sampling from both a single thermodynamic state or a mixture of thermodynamic states, and allows both coordinates and thermodynamic parameters to be driven in nonequilibrium proposals. While generating finite-time switching trajectories incurs an additional cost, driving some degrees of freedom while allowing others to evolve naturally can lead to large enhancements in acceptance probabilities, greatly reducing structural correlation times. Using nonequilibrium driven processes vastly expands the repertoire of useful Monte Carlo proposals in simulations of dense solvated systems

Optimal control under uncertainty and Bayesian parameters adjustments

We propose a general framework for studying optimal impulse control problem in the presence of uncertainty on the parameters. Given a prior on the distribution of the unknown parameters, we explain how it should evolve according to the classical Bayesian rule after each impulse. Taking these progressive prior-adjustments into account, we characterize the optimal policy through a quasi-variational parabolic equation, which can be solved numerically. The derivation of the dynamic programming equation seems to be new in this context. The main difficulty lies in the nature of the set of controls which depends in a non trivial way on the initial data through the filtration itself

Competition between Kondo and RKKY correlations in the presence of strong randomness

We propose that competition between Kondo and magnetic correlations results in a novel universality class for heavy fermion quantum criticality in the presence of strong randomness. Starting from an Anderson lattice model with disorder, we derive an effective local field theory in the dynamical mean-field theory (DMFT) approximation, where randomness is introduced into both hybridization and Ruderman-Kittel-Kasuya-Yosida (RKKY) interactions. Performing the saddle-point analysis in the U(1) slave-boson representation, we reveal its phase diagram which shows a quantum phase transition from a spin liquid state to a local Fermi liquid phase. In contrast with the clean limit of the Anderson lattice model, the effective hybridization given by holon condensation turns out to vanish, resulting from the zero mean value of the hybridization coupling constant. However, we show that the holon density becomes finite when variance of hybridization is sufficiently larger than that of the RKKY coupling, giving rise to the Kondo effect. On the other hand, when the variance of hybridization becomes smaller than that of the RKKY coupling, the Kondo effect disappears, resulting in a fully symmetric paramagnetic state, adiabatically connected with the spin liquid state of the disordered Heisenberg model. .....

High Reynolds number tests of a Douglas DLBA 032 airfoil in the Langley 0.3-meter transonic cryogenic tunnel

A wind-tunnel investigation of a Douglas advanced-technology airfoil was conducted in the Langley 0.3-Meter Transonic Cryogenic Tunnel (0.3-m TCT). The temperature was varied from 227 K (409 R) to 100 K (180 R) at pressures ranging from about 159 kPa (1.57 atm) to about 514 kPa (5.07 atm). Mach number was varied from 0.50 to 0.78. These variables provided a Reynolds number range (based on airfoil chord) from 6.0 to 30.0 x 10 to the 6th power. This investigation was specifically designed to: (1) test a Douglas airfoil from moderately low to flight-equivalent Reynolds numbers, and (2) evaluate sidewall-boundary-layer effects on transonic airfoil performance characteristics by a systematic variation of Mach number, Reynolds number, and sidewall-boundary-layer removal. Data are included which demonstrate the effects of fixing transition, Mach number, Reynolds number, and sidewall-boundary-layer removal on the aerodynamic characteristics of the airfoil. Also included are remarks on model design and model structural integrity

Transport properties in Simplified Double Exchange model

Transport properties of the manganites by the double-exchange mechanism are considered. The system is modeled by a simplified double-exchange model, i.e. the Hund coupling of the itinerant electron spins and local spins is simplified to the Ising-type one. The transport properties such as the electronic resistivity, the thermal conductivity, and the thermal power are calculated by using Dynamical mean-field theory. The transport quantities obtained qualitatively reproduce the ones observed in the manganites. The results suggest that the Simplified double exchange model underlies the key properties of the manganites.Comment: 5 pages, 5 eps figure