Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density

We construct improved quantum Monte Carlo estimators for the spherically- and system-averaged electron pair density (i.e. the probability density of finding two electrons separated by a relative distance u), also known as the spherically-averaged electron position intracule density I(u), using the general zero-variance zero-bias principle for observables, introduced by Assaraf and Caffarel. The calculation of I(u) is made vastly more efficient by replacing the average of the local delta-function operator by the average of a smooth non-local operator that has several orders of magnitude smaller variance. These new estimators also reduce the systematic error (or bias) of the intracule density due to the approximate trial wave function. Used in combination with the optimization of an increasing number of parameters in trial Jastrow-Slater wave functions, they allow one to obtain well converged correlated intracule densities for atoms and molecules. These ideas can be applied to calculating any pair-correlation function in classical or quantum Monte Carlo calculations.Comment: 13 pages, 9 figures, published versio

Pressure-energy correlations and thermodynamic scaling in viscous Lennard-Jones liquids

We use molecular dynamics simulation results on viscous binary Lennard-Jones mixtures to examine the correlation between the potential energy and the virial. In accord with a recent proposal [U. R. Pedersen et. al. Phys. Rev. Lett. 100, 015701 (2008)], the fluctuations in the two quantities are found to be strongly correlated, exhibiting a proportionality constant, Gamma, numerically equal to one-third the slope of an inverse power law approximation to the intermolecular potential function. The correlation is stronger at higher densities, where interatomic separations are in the range where the inverse power law approximation is more accurate. These same liquids conform to thermodynamic scaling of their dynamics, with the scaling exponent equal to Gamma. Thus, the properties of strong correlation between energy and pressure and thermodynamic scaling both reflect the ability of an inverse power law representation of the potential to capture interesting features of the dynamics of dense, highly viscous liquids.Comment: 5 pages, 4 figures; published version, one figure remove

Jet measurements by the CMS experiment in pp and PbPb collisions

The energy loss of fast partons traversing the strongly interacting matter produced in high-energy nuclear collisions is one of the most interesting observables to probe the nature of the produced medium. The multipurpose Compact Muon Solenoid (CMS) detector is well designed to measure these hard scattering processes with its high resolution calorimeters and high precision silicon tracker. Analyzing data from pp and PbPb collisions at a center-of-mass energy of 2.76 TeV parton energy loss is observed as a significant imbalance of dijet transverse momentum. To gain further understanding of the parton energy loss mechanism the redistribution of the quenched jet energy was studied using the transverse momentum balance of charged tracks projected onto the direction of the leading jet. In contrast to pp collisions, a large fraction the momentum balance for asymmetric jets is found to be carried by low momentum particles at large angular distance to the jet axis. Further, the fragmentation functions for leading and subleading jets were reconstructed and were found to be unmodified compared to measurements in pp collisions. The results yield a detailed picture of parton propagation in the hot QCD medium.Comment: 7 pages, 5 figures, Quark Matter 2011 conference proceeding

Pattern phase diagram for 2D arrays of coupled limit-cycle oscillators

Arrays of coupled limit-cycle oscillators represent a paradigmatic example for studying synchronization and pattern formation. They are also of direct relevance in the context of currently emerging experiments on nano- and optomechanical oscillator arrays. We find that the full dynamical equations for the phase dynamics of such an array go beyond previously studied Kuramoto-type equations. We analyze the evolution of the phase field in a two-dimensional array and obtain a "phase diagram" for the resulting stationary and non-stationary patterns. The possible observation in optomechanical arrays is discussed briefly

Lissajous curves and semiclassical theory: The two-dimensional harmonic oscillator

The semiclassical treatment of the two-dimensional harmonic oscillator provides an instructive example of the relation between classical motion and the quantum mechanical energy spectrum. We extend previous work on the anisotropic oscillator with incommensurate frequencies and the isotropic oscillator to the case with commensurate frequencies for which the Lissajous curves appear as classical periodic orbits. Because of the three different scenarios depending on the ratio of its frequencies, the two-dimensional harmonic oscillator offers a unique way to explicitly analyze the role of symmetries in classical and quantum mechanics.Comment: 9 pages, 3 figures; to appear in Am. J. Phy

Funding Universal Service Obligations with an Essential Facility: Charges vs. Taxes and Subsidies

This paper compares three schemes for funding Universal Service Obligations in network industries with an essential facility: an uplift to the network access charge, the establishment of a Universal Service (US) fund financed through a lump-sum tax and a US fund financed through a unit tax. The comparison is made under a duopoly structure with a potential entrant and an incumbent, which owns the essential facility and is responsible for universal service. The incumbent is also constrained to offer the same price on all markets. Using a social welfare criteria, we show that the US fund financed with a lump sum tax dominates the other two schemes, while the US fund with unit tax is equivalent to the access charge uplift.UNIVERSAL SERVICE OBLIGATIONS; ACCESS CHARGES; REGULATION

Freezing point depression and freeze-thaw damage by nano-fuidic salt trapping

A remarkable variety of organisms and wet materials are able to endure temperatures far below the freezing point of bulk water. Cryo-tolerance in biology is usually attributed to "anti-freeze" proteins, and yet massive supercooling ($< -40^\circ$C) is also possible in porous media containing only simple aqueous electrolytes. For concrete pavements, the common wisdom is that freeze-thaw damage results from the expansion of water upon freezing, but this cannot explain the large pressures ($> 10$~MPa) required to damage concrete, the observed correlation between pavement damage and de-icing salts, or the damage of cement paste loaded with benzene (which contracts upon freezing). In this Letter, we propose a different mechanism -- nanofluidic salt trapping -- which can explain the observations, using simple mathematical models of dissolved ions confined to thin liquid films between growing ice and charged surfaces. Although trapped salt lowers the freezing point, ice nucleation in charged pores causes enormous disjoining pressures via the rejected ions, until their removal by precipitation or surface adsorption at a lower temperatures releases the pressure and allows complete freezing. The theory is able to predict the non-monotonic salt-concentration dependence of freeze-thaw damage in concreter and provides a general framework to understand the origins of cryo-tolerance.Comment: 5 figure

Design and fabrication of a centrifugally driven microfluidic disk for fully integrated metabolic assays on whole blood

For the first time, we present a novel and fully integrated centrifugal microfluidic “ lab-on-a-disk” for rapid metabolic assays in human whole blood. All essential steps comprising blood sampling, metering, plasma extraction and the final optical detection are conducted within t = 150 s in passive structures integrated on one disposable disk. Our technology features a novel plasma extraction structure (V = 500 nL, CV < 5%) without using any hydrophobic microfluidics where the purified plasma (cRBC< 0.11%) is centrifugally separated and subsequently extracted through a capillarily primed extraction channel into the detection chamber. While this capillary extraction requires precisely defined, narrow micro-structures, the reactive mixing and detection is most efficient within larger cavities. The corresponding manufacturing technique of these macro- and micro structures in the range of 30 µ m to 1000 µ m is also presented for the first time: A novel, cost-efficient hybrid prototyping technique of a multiscale epoxy master for subsequent hot embossing of polymer disks

Are polar liquids less simple?

Strong correlation between equilibrium fluctuations of the potential energy, U, and the virial, W, is a characteristic of a liquid that implies the presence of certain dynamic properties, such as density scaling of the relaxation times and isochronal superpositioning of the relaxation function. In this work we employ molecular dynamics simulations (mds) on methanol and two variations, lacking hydrogen bonds and a dipole moment, to assess the connection between the correlation of U and W and these dynamic properties. We show, in accord with prior results of others [T.S. Ingebrigtsen, T.B. Schroder, J.C. Dyre, Phys. Rev. X 2, 011011 (2012).], that simple van der Waals liquids exhibit both strong correlations and the expected dynamic behavior. However, for polar liquids this correspondence breaks down - weaker correlation between U and W is not associated with worse conformance to density scaling or isochronal superpositioning. The reason for this is that strong correlation between U and W only requires their proportionality, whereas the expected dynamic behavior depends primarily on constancy of the proportionality constant for all state points. For hydrogen-bonded liquids, neither strong correlation nor adherence to the dynamic properties is observed; however, this nonconformance is not directly related to the concentration of hydrogen bonds, but rather to the greater deviation of the intermolecular potential from an inverse power law (IPL). Only (hypothetical) liquids having interactions governed strictly by an IPL are perfectly correlating and exhibit the consequent dynamic properties over all thermodynamic conditions.Comment: 14 pages, 8 figure