Rare-Event Sampling: Occupation-Based Performance Measures for Parallel Tempering and Infinite Swapping Monte Carlo Methods

In the present paper we identify a rigorous property of a number of tempering-based Monte Carlo sampling methods, including parallel tempering as well as partial and infinite swapping. Based on this property we develop a variety of performance measures for such rare-event sampling methods that are broadly applicable, informative, and straightforward to implement. We illustrate the use of these performance measures with a series of applications involving the equilibrium properties of simple Lennard-Jones clusters, applications for which the performance levels of partial and infinite swapping approaches are found to be higher than those of conventional parallel tempering.Comment: 18 figure

Heating mechanisms in radio frequency driven ultracold plasmas

Several mechanisms by which an external electromagnetic field influences the temperature of a plasma are studied analytically and specialized to the system of an ultracold plasma (UCP) driven by a uniform radio frequency (RF) field. Heating through collisional absorption is reviewed and applied to UCPs. Furthermore, it is shown that the RF field modifies the three body recombination process by ionizing electrons from intermediate high-lying Rydberg states and upshifting the continuum threshold, resulting in a suppression of three body recombination. Heating through collisionless absorption associated with the finite plasma size is calculated in detail, revealing a temperature threshold below which collisionless absorption is ineffective.Comment: 14 pages, 7 figure

First-principles calculations for the adsorption of water molecules on the Cu(100) surface

First-principles density-functional theory and supercell models are employed to calculate the adsorption of water molecules on the Cu(100) surface. In agreement with the experimental observations, the calculations show that a H2O molecule prefers to bond at a one-fold on-top (T1) surface site with a tilted geometry. At low temperatures, rotational diffusion of the molecular axis of the water molecules around the surface normal is predicted to occur at much higher rates than lateral diffusion of the molecules. In addition, the calculated binding energy of an adsorbed water molecule on the surfaces is significantly smaller than the water sublimation energy, indicating a tendency for the formation of water clusters on the Cu(100) surface.Comment: 5 pages, 3 figures, submitted to Phys. Rev.

A reduced coupled-mode description for the electron-ion energy relaxation in dense matter

We present a simplified model for the electron-ion energy relaxation in dense two-temperature systems that includes the effects of coupled collective modes. It also extends the standard Spitzer result to both degenerate and strongly coupled systems. Starting from the general coupled-mode description, we are able to solve analytically for the temperature relaxation time in warm dense matter and strongly coupled plasmas. This was achieved by decoupling the electron-ion dynamics and by representing the ion response in terms of the mode frequencies. The presented reduced model allows for a fast description of temperature equilibration within hydrodynamic simulations and an easy comparison for experimental investigations. For warm dense matter, both fluid and solid, the model gives a slower electron-ion equilibration than predicted by the classical Spitzer result

Walks on weighted networks

We investigate the dynamics of random walks on weighted networks. Assuming that the edge's weight and the node's strength are used as local information by a random walker, we study two kinds of walks, weight-dependent walk and strength-dependent walk. Exact expressions for stationary distribution and average return time are derived and confirmed by computer simulations. We calculate the distribution of average return time and the mean-square displacement for two walks on the BBV networks, and find that a weight-dependent walker can arrive at a new territory more easily than a strength-dependent one.Comment: 4 pages, 5 figures. minor modifications. Comments and suggestions are favored by the author

Laws relating runs, long runs, and steps in gambler's ruin, with persistence in two strata

Define a certain gambler's ruin process \mathbf{X}_{j}, \mbox{ \ }j\ge 0, such that the increments $\varepsilon_{j}:=\mathbf{X}_{j}-\mathbf{X}_{j-1}$ take values $\pm1$ and satisfy $P(\varepsilon_{j+1}=1|\varepsilon_{j}=1, |\mathbf{X}_{j}|=k)=P(\varepsilon_{j+1}=-1|\varepsilon_{j}=-1,|\mathbf{X}_{j}|=k)=a_k$, all $j\ge 1$, where $a_k=a$ if $0\le k\le f-1$, and $a_k=b$ if $f\le k<N$. Here $0<a, b <1$ denote persistence parameters and $f ,N\in \mathbb{N}$ with $f<N$. The process starts at $\mathbf{X}_0=m\in (-N,N)$ and terminates when $|\mathbf{X}_j|=N$. Denote by ${\cal R}'_N$, ${\cal U}'_N$, and ${\cal L}'_N$, respectively, the numbers of runs, long runs, and steps in the meander portion of the gambler's ruin process. Define $X_N:=\left ({\cal L}'_N-\frac{1-a-b}{(1-a)(1-b)}{\cal R}'_N-\frac{1}{(1-a)(1-b)}{\cal U}'_N\right )/N$ and let $f\sim\eta N$ for some $0<\eta <1$. We show $\lim_{N\to\infty} E\{e^{itX_N}\}=\hat{\varphi}(t)$ exists in an explicit form. We obtain a companion theorem for the last visit portion of the gambler's ruin.Comment: Presented at 8th International Conference on Lattice Path Combinatorics, Cal Poly Pomona, Aug., 2015. The 2nd version has been streamlined, with references added, including reference to a companion document with details of calculations via Mathematica. The 3rd version has 2 new figures and improved presentatio

Exact analytical solution of the collapse of self-gravitating Brownian particles and bacterial populations at zero temperature

We provide an exact analytical solution of the collapse dynamics of self-gravitating Brownian particles and bacterial populations at zero temperature. These systems are described by the Smoluchowski-Poisson system or Keller-Segel model in which the diffusion term is neglected. As a result, the dynamics is purely deterministic. A cold system undergoes a gravitational collapse leading to a finite time singularity: the central density increases and becomes infinite in a finite time t_coll. The evolution continues in the post collapse regime. A Dirac peak emerges, grows and finally captures all the mass in a finite time t_end, while the central density excluding the Dirac peak progressively decreases. Close to the collapse time, the pre and post collapse evolution is self-similar. Interestingly, if one starts from a parabolic density profile, one obtains an exact analytical solution that describes the whole collapse dynamics, from the initial time to the end, and accounts for non self-similar corrections that were neglected in previous works. Our results have possible application in different areas including astrophysics, chemotaxis, colloids and nanoscience

Core Collapse via Coarse Dynamic Renormalization

In the context of the recently developed "equation-free" approach to computer-assisted analysis of complex systems, we extract the self-similar solution describing core collapse of a stellar system from numerical experiments. The technique allows us to side-step the core "bounce" that occurs in direct N-body simulations due to the small-N correlations that develop in the late stages of collapse, and hence to follow the evolution well into the self-similar regime.Comment: 5 pages, 3 figure

Distance-redshift from an optical metric that includes absorption

We show that it is possible to equate the intensity reduction of a light wave caused by weak absorption with a geometrical reduction in intensity caused by a "transverse" conformal transformation of the spacetime metric in which the wave travels. We are consequently able to modify Gordon's optical metric to account for electromagnetic properties of ponderable material whose properties include both refraction and absorption. Unlike refraction alone however, including absorption requires a modification of the optical metric that depends on the eikonal of the wave itself. We derive the distance-redshift relation from the modified optical metric for Friedman-Lema\^itre-Robertson-Walker spacetimes whose cosmic fluid has associated refraction and absorption coefficients. We then fit the current supernovae data and provide an alternate explanation (other than dark energy) of the apparent acceleration of the universe.Comment: 2 figure