High-quality variational wave functions for small 4He clusters

We report a variational calculation of ground state energies and radii for 4He_N droplets (3 \leq N \leq 40), using the atom-atom interaction HFD-B(HE). The trial wave function has a simple structure, combining two- and three-body correlation functions coming from a translationally invariant configuration-interaction description, and Jastrow-type short-range correlations. The calculated ground state energies differ by around 2% from the diffusion Monte Carlo results.Comment: 5 pages, 1 ps figure, REVTeX, submitted to Phys. Rev.

Stability of Solid State Reaction Fronts

We analyze the stability of a planar solid-solid interface at which a chemical reaction occurs. Examples include oxidation, nitridation, or silicide formation. Using a continuum model, including a general formula for the stress-dependence of the reaction rate, we show that stress effects can render a planar interface dynamically unstable with respect to perturbations of intermediate wavelength

Performance Of Plate Distributor And Spray Nozzle For An Unpacked Saturator.

Saturator efficiency is vital in operational cost of dissolved air flotation plants as it would have an impact on the amount of recycle ratio required for satisfactory removal of suspended solids from the influent stream

What Comes Next? Evaluating Uncertainty in Neural Text Generators Against Human Production Variability

In Natural Language Generation (NLG) tasks, for any input, multiple communicative goals are plausible, and any goal can be put into words, or produced, in multiple ways. We characterise the extent to which human production varies lexically, syntactically, and semantically across four NLG tasks, connecting human production variability to aleatoric or data uncertainty. We then inspect the space of output strings shaped by a generation system’s predicted probability distribution and decoding algorithm to probe its uncertainty. For each test input, we measure the generator’s calibration to human production variability. Following this instance-level approach, we analyse NLG models and decoding strategies, demonstrating that probing a generator with multiple samples and, when possible, multiple references, provides the level of detail necessary to gain understanding of a model’s representation of uncertainty

Quasi one dimensional 4^4He inside carbon nanotubes

We report results of diffusion Monte Carlo calculations for both $^4$He absorbed in a narrow single walled carbon nanotube (R = 3.42 \AA) and strictly one dimensional $^4$He. Inside the tube, the binding energy of liquid $^4$He is approximately three times larger than on planar graphite. At low linear densities, $^4$He in a nanotube is an experimental realization of a one-dimensional quantum fluid. However, when the density increases the structural and energetic properties of both systems differ. At high density, a quasi-continuous liquid-solid phase transition is observed in both cases.Comment: 11 pages, 3ps figures, to appear in Phys. Rev. B (RC

Scattering length for helium atom-diatom collision

We present results on the scattering lengths of ^4He--^4He_2 and ^3He--^4He_2 collisions. We also study the consequence of varying the coupling constant of the atom-atom interaction.Comment: Contribution to Proceedings of the International Workshop ``Critical Stability of Few-Body Quantum Systems'' (Dresden, October 17--22, 2005

Fair Mixing: the Case of Dichotomous Preferences

We consider a setting in which agents vote to choose a fair mixture of public outcomes. The agents have dichotomous preferences: each outcome is liked or disliked by an agent. We discuss three outstanding voting rules. The Conditional Utilitarian rule, a variant of the random dictator, is strategyproof and guarantees to any group of like-minded agents an influence proportional to its size. It is easier to compute and more efficient than the familiar Random Priority rule. Its worst case (resp. average) inefficiency is provably (resp. in numerical experiments) low if the number of agents is low. The efficient Egalitarian rule protects individual agents but not coalitions. It is excludable strategyproof: I do not want to lie if I cannot consume outcomes I claim to dislike. The efficient Nash Max Product rule offers the strongest welfare guarantees to coalitions, who can force any outcome with a probability proportional to their size. But it even fails the excludable form of strategyproofness

Diffusion Monte Carlo study of two-dimensional liquid 4^4He

The ground-state properties of two-dimensional liquid $^4$He at zero temperature are studied by means of a quadratic diffusion Monte Carlo method. As interatomic potential we use a revised version of the HFDHE2 Aziz potential which is expected to give a better description of the interaction between helium atoms. The equation of state is determined with great accuracy over a wide range of densities in the liquid phase from the spinodal point up to the freezing density. The spinodal decomposition density is estimated and other properties of the liquid, such as radial distribution function, static form factor, momentum distribution and density dependence of the condensate fraction are all presented.Comment: 19 pages, RevTex 3.0, 7 figures available upon reques

Modelling the influence of RKIP on the ERK signalling pathway using the stochastic process algebra PEPA

This paper examines the influence of the Raf Kinase Inhibitor Protein (RKIP) on the Extracellular signal Regulated Kinase (ERK) signalling pathway [5] through modelling in a Markovian process algebra, PEPA [11]. Two models of the system are presented, a reagent-centric view and a pathway-centric view. The models capture functionality at the level of subpathway, rather than at a molecular level. Each model affords a different perspective of the pathway and analysis. We demonstrate the two models to be formally equivalent using the timing-aware bisimulation defined over PEPA models and discuss the biological significance

Measuring kinetic coefficients by molecular dynamics simulation of zone melting

Molecular dynamics simulations are performed to measure the kinetic coefficient at the solid-liquid interface in pure gold. Results are obtained for the (111), (100) and (110) orientations. Both Au(100) and Au(110) are in reasonable agreement with the law proposed for collision-limited growth. For Au(111), stacking fault domains form, as first reported by Burke, Broughton and Gilmer [J. Chem. Phys. {\bf 89}, 1030 (1988)]. The consequence on the kinetics of this interface is dramatic: the measured kinetic coefficient is three times smaller than that predicted by collision-limited growth. Finally, crystallization and melting are found to be always asymmetrical but here again the effect is much more pronounced for the (111) orientation.Comment: 8 pages, 9 figures (for fig. 8 : [email protected]). Accepted for publication in Phys. Rev.