Quantum diffusion in liquid water from ring polymer molecular dynamics

We have used the ring polymer molecular-dynamics method to study the translational and orientational motions in an extended simple point charge model of liquid water under ambient conditions. We find, in agreement with previous studies, that quantum-mechanical effects increase the self-diffusion coefficient D and decrease the relaxation times around the principal axes of the water molecule by a factor of around 1.5. These results are consistent with a simple Stokes-Einstein picture of the molecular motion and suggest that the main effect of the quantum fluctuations is to decrease the viscosity of the liquid by about a third. We then go on to consider the system-size scaling of the calculated self-diffusion coefficient and show that an appropriate extrapolation to the limit of infinite system size increases D by a further factor of around 1.3 over the value obtained from a simulation of a system containing 216 water molecules. These findings are discussed in light of the widespread use of classical molecular-dynamics simulations of this sort of size to model the dynamics of aqueous systems

A study of random laser modes in disordered photonic crystals

We studied lasing modes in a disordered photonic crystal. The scaling of the lasing threshold with the system size depends on the strength of disorder. For sufficiently large size, the minimum of the lasing threshold occurs at some finite value of disorder strength. The highest random cavity quality factor was comparable to that of an intentionally introduced single defect. At the minimum, the lasing threshold showed a super-exponential decrease with the size of the system. We explain it through a migration of the lasing mode frequencies toward the photonic bandgap center, where the localization length takes the minimum value. Random lasers with exponentially low thresholds are predicted.Comment: 4 pages, 4 figure

Elastic collapse in disordered isostatic networks

Isostatic networks are minimally rigid and therefore have, generically, nonzero elastic moduli. Regular isostatic networks have finite moduli in the limit of large sizes. However, numerical simulations show that all elastic moduli of geometrically disordered isostatic networks go to zero with system size. This holds true for positional as well as for topological disorder. In most cases, elastic moduli decrease as inverse power-laws of system size. On directed isostatic networks, however, of which the square and cubic lattices are particular cases, the decrease of the moduli is exponential with size. For these, the observed elastic weakening can be quantitatively described in terms of the multiplicative growth of stresses with system size, giving rise to bulk and shear moduli of order exp{-bL}. The case of sphere packings, which only accept compressive contact forces, is considered separately. It is argued that these have a finite bulk modulus because of specific correlations in contact disorder, introduced by the constraint of compressivity. We discuss why their shear modulus, nevertheless, is again zero for large sizes. A quantitative model is proposed that describes the numerically measured shear modulus, both as a function of the loading angle and system size. In all cases, if a density p>0 of overconstraints is present, as when a packing is deformed by compression, or when a glass is outside its isostatic composition window, all asymptotic moduli become finite. For square networks with periodic boundary conditions, these are of order sqrt{p}. For directed networks, elastic moduli are of order exp{-c/p}, indicating the existence of an "isostatic length scale" of order 1/p.Comment: 6 pages, 6 figues, to appear in Europhysics Letter

Self-organized criticality in a rice-pile model

We present a new model for relaxations in piles of granular material. The relaxations are determined by a stochastic rule which models the effect of friction between the grains. We find power-law distributions for avalanche sizes and lifetimes characterized by the exponents $\tau = 1.53 \pm 0.05$ and $y = 1.84 \pm 0.05$, respectively. For the discharge events, we find a characteristic size that scales with the system size as $L^\mu$, with $\mu = 1.20 \pm 0.05$. We also find that the frequency of the discharge events decrease with the system size as $L^{-\mu'}$ with $\mu' = 1.20 \pm 0.05$.Comment: 4 pages, RevTex, multicol, epsf, rotate (sty files provided). To appear Phys. Rev. E Rapid Communication (Nov or Dec 96

Optimization Strategies in Complex Systems

We consider a class of combinatorial optimization problems that emerge in a variety of domains among which: condensed matter physics, theory of financial risks, error correcting codes in information transmissions, molecular and protein conformation, image restoration. We show the performances of two algorithms, the``greedy'' (quick decrease along the gradient) and the``reluctant'' (slow decrease close to the level curves) as well as those of a``stochastic convex interpolation''of the two. Concepts like the average relaxation time and the wideness of the attraction basin are analyzed and their system size dependence illustrated.Comment: 8 pages, 3 figure

Cellular system information capacity change at higher frequencies due to propagation loss and system parameters

In this paper, mathematical analysis supported by computer simulation is used to study cellular system information capacity change due to propagation loss and system parameters (such as path loss exponent, shadowing and antenna height) at microwave carrier frequencies greater than 2 GHz and smaller cell size radius. An improved co-channel interference model, which includes the second tier co-channel interfering cells is used for the analysis. The system performance is measured in terms of the uplink information capacity of a time-division multiple access (TDMA) based cellular wireless system. The analysis and simulation results show that the second tier co-channel interfering cells become active at higher microwave carrier frequencies and smaller cell size radius. The results show that for both distance-dependent: path loss, shadowing and effective road height the uplink information capacity of the cellular wireless system decreases as carrier frequency increases and cell size radius R decreases. For example at a carrier frequency fc = 15.75 GHz, basic path loss exponent α = 2 and cell size radius R = 100, 500 and 1000m the decrease in information capacity was 20, 5.29 and 2.68%

The size and polydispersity of silica nanoparticles under simulated hot spring conditions

The nucleation and growth of silica nanoparticles in supersaturated geothermal waters was simulated using a flow-through geothermal simulator system. The effect of silica concentration ([SiO2]), ionic strength (IS), temperature (T) and organic additives on the size and polydispersity of the forming silica nanoparticles was quantified. A decrease in temperature (58 to 33°C) and the addition of glucose restricted particle growth to sizes <20 nm, while varying [SiO2] or ISdid not affect the size (30-35 nm) and polydispersity (±9 nm) observed at 58°C. Conversely, the addition of xanthan gum induced the development of thin films that enhanced silica aggregation

Local structure of REFeAsO (RE=La, Pr, Nd, Sm) oxypnictides studied by Fe K-edge EXAFS

Local structure of REOFeAs (RE=La, Pr, Nd, Sm) system has been studied as a function of chemical pressure varied due to different rare-earth size. Fe K-edge extended X-ray absorption fine structure (EXAFS) measurements in the fluorescence mode has permitted to compare systematically the inter-atomic distances and their mean square relative displacements (MSRD). We find that the Fe-As bond length and the corresponding MSRD hardly show any change, suggesting the strongly covalent nature of this bond, while the Fe-Fe and Fe-RE bond lengths decrease with decreasing rare earth size. The results provide important information on the atomic correlations that could have direct implication on the superconductivity and magnetism of REOFeAs system, with the chemical pressure being a key ingredient