Computing the lowest eigenvalues of the Fermion matrix by subspace iterations

Subspace iterations are used to minimise a generalised Ritz functional of a large, sparse Hermitean matrix. In this way, the lowest $m$ eigenvalues are determined. Tests with $1 \leq m \leq 32$ demonstrate that the computational cost (no. of matrix multiplies) does not increase substantially with $m$. This implies that, as compared to the case of a $m=1$, the additional eigenvalues are obtained for free.Comment: Talk presented at LATTICE96(algorithms), 3 pages, 2 Postscript figures, uses epsf.sty, espcrc2.st

The locality of the square-root method for improved staggered quarks

We study the effects of improvement on the locality of square-rooted staggered Dirac operators in lattice QCD simulations. We find the localisation lengths of the improved operators (FAT7TAD and ASQTAD) to be very similar to that of the one-link operator studied by Bunk et al., being at least the Compton wavelength of the lightest particle in the theory, even in the continuum limit. We conclude that improvement has no effect. We discuss the implications of this result for the locality of the nth-rooted fermion determinant used to reduce the number of sea quark flavours, and for possible staggered valence quark formulations

The Height of a Giraffe

A minor modification of the arguments of Press and Lightman leads to an estimate of the height of the tallest running, breathing organism on a habitable planet as the Bohr radius multiplied by the three-tenths power of the ratio of the electrical to gravitational forces between two protons (rather than the one-quarter power that Press got for the largest animal that would not break in falling over, after making an assumption of unreasonable brittleness). My new estimate gives a height of about 3.6 meters rather than Press's original estimate of about 2.6 cm. It also implies that the number of atoms in the tallest runner is very roughly of the order of the nine-tenths power of the ratio of the electrical to gravitational forces between two protons, which is about 3 x 10^32.Comment: 12 pages, LaTe

Determination of the zeta potential for highly charged colloidal suspensions

We compute the electrostatic potential at the surface, or zeta potential $\zeta$, of a charged particle embedded in a colloidal suspension using a hybrid mesoscopic model. We show that for weakly perturbing electric fields, the value of $\zeta$ obtained at steady state during electrophoresis is statistically indistinguishable from $\zeta$ in thermodynamic equilibrium. We quantify the effect of counterions concentration on $\zeta$. We also evaluate the relevance of the lattice resolution for the calculation of $\zeta$ and discuss how to identify the effective electrostatic radius.Comment: 8 pages, 3 figures with 2 panel

Dipole Excitation of Dipositronium

The energy interval between the ground and the P-wave excited states of the recently discovered positronium molecule Ps_2 is evaluated, including the relativistic and the leading logarithmic radiative corrections, E_P-E_S = 0.181 586 7(8) a.u. The P-state, decaying usually via annihilation, is found to decay into the ground state by an electric dipole transition 19 percent of the time. Anticipated observation of this transition will provide insight into this exotic system.Comment: 5 page

Ab initio mass tensor molecular dynamics

Mass tensor molecular dynamics was first introduced by Bennett [J. Comput. Phys. 19, 267 (1975)] for efficient sampling of phase space through the use of generalized atomic masses. Here, we show how to apply this method to ab initio molecular dynamics simulations with minimal computational overhead. Test calculations on liquid water show a threefold reduction in computational effort without making the fixed geometry approximation. We also present a simple recipe for estimating the optimal atomic masses using only the first derivatives of the potential energy.Comment: 19 pages, 5 figure

Non-Fourier heat transport in metal-dielectric core-shell nanoparticles under ultrafast laser pulse excitation

Relaxation dynamics of embedded metal nanoparticles after ultrafast laser pulse excitation is driven by thermal phenomena of different origins the accurate description of which is crucial for interpreting experimental results: hot electron gas generation, electron-phonon coupling, heat transfer to the particle environment and heat propagation in the latter. Regardingthis last mechanism, it is well known that heat transport in nanoscale structures and/or at ultrashort timescales may deviate from the predictions of the Fourier law. In these cases heat transport may rather be described by the Boltzmann transport equation. We present a numerical model allowing us to determine the electron and lattice temperature dynamics in a spherical gold nanoparticle core under subpicosecond pulsed excitation, as well as that of the surrounding shell dielectric medium. For this, we have used the electron-phonon coupling equation in the particle with a source term linked with the laser pulse absorption, and the ballistic-diffusive equations for heat conduction in the host medium. Either thermalizing or adiabatic boundary conditions have been considered at the shell external surface. Our results show that the heat transfer rate from the particle to the matrix can be significantly smaller than the prediction of Fourier's law. Consequently, the particle temperature rise is larger and its cooling dynamics might be slower than that obtained by using Fourier's law. This difference is attributed to the nonlocal and nonequilibrium heat conduction in the vicinity of the core nanoparticle. These results are expected to be of great importance for analyzing pump-probe experiments performed on single nanoparticles or nanocomposite media

Bubble statistics and positioning in superhelically stressed DNA

We present a general framework to study the thermodynamic denaturation of double-stranded DNA under superhelical stress. We report calculations of position- and size-dependent opening probabilities for bubbles along the sequence. Our results are obtained from transfer-matrix solutions of the Zimm-Bragg model for unconstrained DNA and of a self-consistent linearization of the Benham model for superhelical DNA. The numerical efficiency of our method allows for the analysis of entire genomes and of random sequences of corresponding length ($10^6-10^9$ base pairs). We show that, at physiological conditions, opening in superhelical DNA is strongly cooperative with average bubble sizes of $10^2-10^3$ base pairs (bp), and orders of magnitude higher than in unconstrained DNA. In heterogeneous sequences, the average degree of base-pair opening is self-averaging, while bubble localization and statistics are dominated by sequence disorder. Compared to random sequences with identical GC-content, genomic DNA has a significantly increased probability to open large bubbles under superhelical stress. These bubbles are frequently located directly upstream of transcription start sites.Comment: to be appeared in Physical Review

Stochastic nonlinear differential equation generating 1/f noise

Starting from the simple point process model of 1/f noise we derive a stochastic nonlinear differential equation for the signal exhibiting 1/f noise in any desirably wide range of frequency. A stochastic differential equation (the general Langevin equation with a multiplicative noise) that gives 1/f noise is derived for the first time. The solution of the equation exhibits the power-law distribution. The process with 1/f noise is demonstrated by the numerical solution of the derived equation with the appropriate restriction of the diffusion of the signal in some finite interval.Comment: 3 figure

Effects of Line-tying on Resistive Tearing Instability in Slab Geometry

The effects of line-tying on resistive tearing instability in slab geometry is studied within the framework of reduced magnetohydrodynamics (RMHD).\citep{KadomtsevP1974,Strauss1976} It is found that line-tying has a stabilizing effect. The tearing mode is stabilized when the system length $L$ is shorter than a critical length $L_{c}$, which is independent of the resistivity $\eta$. When $L$ is not too much longer than $L_{c}$, the growthrate $\gamma$ is proportional to $\eta$ . When $L$ is sufficiently long, the tearing mode scaling $\gamma\sim\eta^{3/5}$ is recovered. The transition from $\gamma\sim\eta$ to $\gamma\sim\eta^{3/5}$ occurs at a transition length $L_{t}\sim\eta^{-2/5}$.Comment: Correct a typ