Goal-oriented sensitivity analysis for lattice kinetic Monte Carlo simulations

In this paper we propose a new class of coupling methods for the sensitivity analysis of high dimensional stochastic systems and in particular for lattice Kinetic Monte Carlo. Sensitivity analysis for stochastic systems is typically based on approximating continuous derivatives with respect to model parameters by the mean value of samples from a finite difference scheme. Instead of using independent samples the proposed algorithm reduces the variance of the estimator by developing a strongly correlated-"coupled"- stochastic process for both the perturbed and unperturbed stochastic processes, defined in a common state space. The novelty of our construction is that the new coupled process depends on the targeted observables, e.g. coverage, Hamiltonian, spatial correlations, surface roughness, etc., hence we refer to the proposed method as em goal-oriented sensitivity analysis. In particular, the rates of the coupled Continuous Time Markov Chain are obtained as solutions to a goal-oriented optimization problem, depending on the observable of interest, by considering the minimization functional of the corresponding variance. We show that this functional can be used as a diagnostic tool for the design and evaluation of different classes of couplings. Furthermore the resulting KMC sensitivity algorithm has an easy implementation that is based on the Bortz-Kalos-Lebowitz algorithm's philosophy, where here events are divided in classes depending on level sets of the observable of interest. Finally, we demonstrate in several examples including adsorption, desorption and diffusion Kinetic Monte Carlo that for the same confidence interval and observable, the proposed goal-oriented algorithm can be two orders of magnitude faster than existing coupling algorithms for spatial KMC such as the Common Random Number approach

Stochastic equation for a jumping process with long-time correlations

A jumping process, defined in terms of jump size distribution and waiting time distribution, is presented. The jumping rate depends on the process value. The process, which is Markovian and stationary, relaxes to an equilibrium and is characterized by the power-law autocorrelation function. Therefore, it can serve as a model of the 1/f noise as well as a model of the stochastic force in the generalized Langevin equation. This equation is solved for the noise correlations 1/t; the resulting velocity distribution has sharply falling tails. The system preserves the memory about the initial condition for a very long time.Comment: 7 pages, 5 Postscript figure

Theory of the cold collision frequency shift in 1S--2S spectroscopy of Bose-Einstein-condensed and non-condensed hydrogen

We show that a correct formulation of the cold collision frequency shift for two photon spectroscopy of Bose-condensed and cold non-Bose-condensed hydrogen is consistent with experimental data. Our treatment includes transport and inhomogeneity into the theory of a non-condensed gas, which causes substantial changes in the cold collision frequency shift for the ordinary thermal gas, as a result of the very high frequency (3.9kHz) of transverse trap mode. For the condensed gas, we find substantial corrections arise from the inclusion of quasiparticles, whose number is very large because of the very low frequency (10.2Hz) of the longitudinal trap mode. These two effects together account for the apparent absence of a "factor of two" between the two possibilities. Our treatment considers only the Doppler-free measurements, but could be extended to Doppler-sensitive measurements. For Bose-condensed hydrogen, we predict a characteristic "foot" extending into higher detunings than can arise from the condensate alone, as a result of a correct treatment of the statistics of thermal quasiparticles.Comment: 16 page J Phys B format plus 6 postscript figure

Theory of the Ramsey spectroscopy and anomalous segregation in ultra-cold rubidium

The recent anomalous segregation experiment of Lewandowski et al. (PRL, 88, 070403, 2002) shows dramatic, rapid internal state segregation for two hyperfine levels of rubidium. We simulate an effective one dimensional model of the system for experimental parameters and find reasonable agreement with the data. The Ramsey frequency is found to be insensitive to the decoherence of the superposition, and is only equivalent to the interaction energy shift for a pure superposition. A Quantum Boltzmann equation describing collisions is derived using Quantum Kinetic Theory, taking into account the different scattering lengths of the internal states. As spin-wave experiments are likely to be attempted at lower temperatures we examine the effect of degeneracy on decoherence by considering the recent experiment of Lewandowski et al. where degeneracy is around 10%. We also find that the segregation effect is only possible when transport terms are included in the equations of motion, and that the interactions only directly alter the momentum distributions of the states. The segregation or spin wave effect is thus entirely due to coherent atomic motion as foreseen in the experimental reportComment: 26 pages, 4 figures, to be published in J. Phys.

Deterministic creation of stationary entangled states by dissipation

We propose a practical physical system for creation of a stationary entanglement by dissipation without employing the environment engineering techniques. The system proposed is composed of two perfectly distinguishable atoms, through their significantly different transition frequencies, with only one atom addressed by an external laser field. We show that the arrangement would easily be realized in practice by trapping the atoms at the distance equal to the quarter-wavelength of a standing-wave laser field and locating one of the atoms at a node and the other at the successive antinode of the wave. The undesirable dipole-dipole interaction between the atoms, that could be large at this small distance, is adjusted to zero by a specific initial preparation of the atoms or by a specific polarization of the atomic dipole moments. Following this arrangement, we show that the dissipative relaxation can create a stationary entanglement on demand by tuning the Rabi frequency of the laser field to the difference between the atomic transition frequencies. The laser field dresses the atom and we identify that the entangled state occurs when the frequency of one of the Rabi sidebands of the driven atom tunes to frequency of the undriven atom. It is also found that this system behaves as a cascade open system where the fluorescence from the dressed atom drives the other atom with no feedback.Comment: Published versio

Quantifying the Drivers of Star Formation on Galactic Scales. I. The Small Magellanic Cloud

We use the star formation history of the Small Magellanic Cloud (SMC) to place quantitative limits on the effect of tidal interactions and gas infall on the star formation and chemical enrichment history of the SMC. The coincident timing of two recent (< 4 Gyr) increases in the star formation rate and SMC/Milky Way(MW) pericenter passages suggests that global star formation in the SMC is driven at least in part by tidal forces due to the MW. The Large Magellanic Cloud (LMC) is the other potential driver of star formation, but is only near the SMC during the most recent burst. The poorly constrained LMC-SMC orbit is our principal uncertainty. To explore the correspondence between bursts and MW pericenter passages further, we model star formation in the SMC using a combination of continuous and tidally-triggered star formation. The behavior of the tidally-triggered mode is a strong inverse function of the SMC-MW separation (preferred behavior ~ r^-5, resulting in a factor of ~100 difference in the rate of tidally-triggered star formation at pericenter and apocenter). Despite the success of these closed-box evolutionary models in reproducing the recent SMC star formation history and current chemical abundance, they have some systematic shortcomings that are remedied by postulating that a sizable infall event (~ 50% of the total gas mass) occured about 4 Gyr ago. Regardless of whether this infall event is included, the fraction of stars in the SMC that formed via a tidally triggered mode is > 10% and could be as large as 70%.Comment: Accepted for publication in Ap

Spin-squeezing and Dicke state preparation by heterodyne measurement

We investigate the quantum non-demolition (QND) measurement of an atomic population based on a heterodyne detection and show that the induced back-action allows to prepare both spin-squeezed and Dicke states. We use a wavevector formalism to describe the stochastic process of the measurement and the associated atomic evolution. Analytical formulas of the atomic distribution momenta are derived in the weak coupling regime both for short and long time behavior, and they are in good agreement with those obtained by a Monte-Carlo simulation. The experimental implementation of the proposed heterodyne detection scheme is discussed. The role played in the squeezing process by the spontaneous emission is considered

Scalable quantum field simulations of conditioned systems

We demonstrate a technique for performing stochastic simulations of conditional master equations. The method is scalable for many quantum-field problems and therefore allows first-principles simulations of multimode bosonic fields undergoing continuous measurement, such as those controlled by measurement-based feedback. As examples, we demonstrate a 53-fold speed increase for the simulation of the feedback cooling of a single trapped particle, and the feedback cooling of a quantum field with 32 modes, which would be impractical using previous brute force methods.Comment: 5 pages, 2 figure