The Path Integral Monte Carlo Calculation of Electronic Forces

We describe a method to evaluate electronic forces by Path Integral Monte Carlo (PIMC). Electronic correlations, as well as thermal effects, are included naturally in this method. For fermions, a restricted approach is used to avoid the ``sign'' problem. The PIMC force estimator is local and has a finite variance. We applied this method to determine the bond length of H$_2$ and the chemical reaction barrier of H+H$_2\longrightarrow$H$_2$+H. At low temperature, good agreement is obtained with ground state calculations. We studied the proton-proton interaction in an electron gas as a simple model for hydrogen impurities in metals. We calculated the force between the two protons at two electronic densities corresponding to Na ($r_s=3.93$) and Al ($r_s=2.07$) using a supercell with 38 electrons. The result is compared to previous calculations. We also studied the effect of temperature on the proton-proton interaction. At very high temperature, our result agrees with the Debye screening of electrons. As temperature decreases, the Debye theory fails both because of the strong degeneracy of electrons and most importantly, the formation of electronic bound states around the protons.Comment: 18 pages, 10 figure

Electron scale structures and magnetic reconnection signatures in the turbulent magnetosheath

Collisionless space plasma turbulence can generate reconnecting thin current sheets as suggested by recent results of numerical magnetohydrodynamic simulations. The MMS mission provides the first serious opportunity to check if small ion-electron-scale reconnection, generated by turbulence, resembles the reconnection events frequently observed in the magnetotail or at the magnetopause. Here we investigate field and particle observations obtained by the MMS fleet in the turbulent terrestrial magnetosheath behind quasi-parallel bow shock geometry. We observe multiple small-scale current sheets during the event and present a detailed look of one of the detected structures. The emergence of thin current sheets can lead to electron scale structures where ions are demagnetized. Within the selected structure we see signatures of ion demagnetization, electron jets, electron heating and agyrotropy suggesting that MMS spacecraft observe reconnection at these scales

Analysis of the rotation period of asteroids (1865) Cerberus, (2100) Ra-Shalom, and (3103) Eger - search for the YORP effect

The spin state of small asteroids can change on a long timescale by the Yarkovsky-O'Keefe-Radzievskii-Paddack (YORP) effect, the net torque that arises from anisotropically scattered sunlight and proper thermal radiation from an irregularly-shaped asteroid. The secular change in the rotation period caused by the YORP effect can be detected by analysis of asteroid photometric lightcurves. We analyzed photometric lightcurves of near-Earth asteroids (1865) Cerberus, (2100) Ra-Shalom, and (3103) Eger with the aim to detect possible deviations from the constant rotation caused by the YORP effect. We carried out new photometric observations of the three asteroids, combined the new lightcurves with archived data, and used the lightcurve inversion method to model the asteroid shape, pole direction, and rotation rate. The YORP effect was modeled as a linear change in the rotation rate in time d\omega /dt. Values of d\omega/ dt derived from observations were compared with the values predicted by theory. We derived physical models for all three asteroids. We had to model Eger as a nonconvex body because the convex model failed to fit the lightcurves observed at high phase angles. We probably detected the acceleration of the rotation rate of Eger d\omega / dt = (1.4 +/- 0.6) x 10^{-8} rad/d (3\sigma error), which corresponds to a decrease in the rotation period by 4.2 ms/yr. The photometry of Cerberus and Ra-Shalom was consistent with a constant-period model, and no secular change in the spin rate was detected. We could only constrain maximum values of |d\omega / dt| < 8 x 10^{-9} rad/d for Cerberus, and |d\omega / dt| < 3 x 10^{-8} rad/d for Ra-Shalom

Two-dimensional Superfluidity and Localization in the Hard-Core Boson Model: a Quantum Monte Carlo Study

Quantum Monte Carlo simulations are used to investigate the two-dimensional superfluid properties of the hard-core boson model, which show a strong dependence on particle density and disorder. We obtain further evidence that a half-filled clean system becomes superfluid via a finite temperature Kosterlitz-Thouless transition. The relationship between low temperature superfluid density and particle density is symmetric and appears parabolic about the half filling point. Disorder appears to break the superfluid phase up into two distinct localized states, depending on the particle density. We find that these results strongly correlate with the results of several experiments on high-$T_c$ superconductors.Comment: 10 pages, 3 figures upon request, RevTeX version 3, (accepted for Phys. Rev. B

Plasma Dynamics

Contains reports on three research projects.United States Atomic Energy Commission (Contract AT(30-1)-1842)United States Air Force, Air Force Cambridge Research Center, Air Research and Development Command (Contract AF19(604)-4551

Investigating and learning lessons from early experiences of implementing ePrescribing systems into NHS hospitals:a questionnaire study

Background: ePrescribing systems have significant potential to improve the safety and efficiency of healthcare, but they need to be carefully selected and implemented to maximise benefits. Implementations in English hospitals are in the early stages and there is a lack of standards guiding the procurement, functional specifications, and expected benefits. We sought to provide an updated overview of the current picture in relation to implementation of ePrescribing systems, explore existing strategies, and identify early lessons learned.Methods: a descriptive questionnaire-based study, which included closed and free text questions and involved both quantitative and qualitative analysis of the data generated.Results: we obtained responses from 85 of 108 NHS staff (78.7% response rate). At least 6% (n = 10) of the 168 English NHS Trusts have already implemented ePrescribing systems, 2% (n = 4) have no plans of implementing, and 34% (n = 55) are planning to implement with intended rapid implementation timelines driven by high expectations surrounding improved safety and efficiency of care. The majority are unclear as to which system to choose, but integration with existing systems and sophisticated decision support functionality are important decisive factors. Participants highlighted the need for increased guidance in relation to implementation strategy, system choice and standards, as well as the need for top-level management support to adequately resource the project. Although some early benefits were reported by hospitals that had already implemented, the hoped for benefits relating to improved efficiency and cost-savings remain elusive due to a lack of system maturity.Conclusions: whilst few have begun implementation, there is considerable interest in ePrescribing systems with ambitious timelines amongst those hospitals that are planning implementations. In order to ensure maximum chances of realising benefits, there is a need for increased guidance in relation to implementation strategy, system choice and standards, as well as increased financial resources to fund local activitie

Nuclear Skins and Halos in the Mean-Field Theory

Nuclei with large neutron-to-proton ratios have neutron skins, which manifest themselves in an excess of neutrons at distances greater than the radius of the proton distribution. In addition, some drip-line nuclei develop very extended halo structures. The neutron halo is a threshold effect; it appears when the valence neutrons occupy weakly bound orbits. In this study, nuclear skins and halos are analyzed within the self-consistent Skyrme-Hartree-Fock-Bogoliubov and relativistic Hartree-Bogoliubov theories for spherical shapes. It is demonstrated that skins, halos, and surface thickness can be analyzed in a model-independent way in terms of nucleonic density form factors. Such an analysis allows for defining a quantitative measure of the halo size. The systematic behavior of skins, halos, and surface thickness in even-even nuclei is discussed.Comment: 22 RevTeX pages, 22 EPS figures included, submitted to Physical Review

Finite-Size Scaling of the Ground State Parameters of the Two-Dimensional Heisenberg Model

The ground state parameters of the two-dimensional S=1/2 antiferromagnetic Heisenberg model are calculated using the Stochastic Series Expansion quantum Monte Carlo method for L*L lattices with L up to 16. The finite-size results for the energy E, the sublattice magnetization M, the long-wavelength susceptibility chi_perp(q=2*pi/L), and the spin stiffness rho_s, are extrapolated to the thermodynamic limit using fits to polynomials in 1/L, constrained by scaling forms previously obtained from renormalization group calculations for the nonlinear sigma model and chiral perturbation theory. The results are fully consistent with the predicted leading finite-size corrections and are of sufficient accuracy for extracting also subleading terms. The subleading energy correction (proportional to 1/L^4) agrees with chiral perturbation theory to within a statistical error of a few percent, thus providing the first numerical confirmation of the finite-size scaling forms to this order. The extrapolated ground state energy per spin, E=-0.669437(5), is the most accurate estimate reported to date. The most accurate Green's function Monte Carlo (GFMC) result is slightly higher than this value, most likely due to a small systematic error originating from ``population control'' bias in GFMC. The other extrapolated parameters are M=0.3070(3), rho_s = 0.175(2), chi_perp = 0.0625(9), and the spinwave velocity c=1.673(7). The statistical errors are comparable with those of the best previous estimates, obtained by fitting loop algorithm quantum Monte Carlo data to finite-temperature scaling forms. Both M and rho_s obtained from the finite-T data are, however, a few error bars higher than the present estimates. It is argued that the T=0 extrapolations performed here are less sensitive to effects of neglectedComment: 16 pages, RevTex, 9 PostScript figure

The challenges of implementing packaged hospital electronic prescribing and medicine administration systems in UK hospitals: premature purchase of immature solutions?

The UK National Health Service is making major efforts to implement Hospital Electronic Prescribing and Medicine Administration (HEPMA) to improve patient safety and quality of care. Substantial public investments have attracted a wide range of UK and overseas suppliers offering Commercial-Off –The-Shelf (COTS) solutions. A lack of (UK) implementation experience and weak supplier-user relationships are reflected in systems with limited configurability, poorly matched to the needs and practices of English hospitals. This situation echoes the history of comparable corporate information infrastructures - Enterprise Resource Planning systems - in the 1980s/1990s. UK government intervention prompted a similar swarming of immature, often unfinished, products into the market. This resulted, in both cases, in protracted and difficult implementation processes as vendors and adopters struggled to get the systems to work and match the circumstances of the adopting organisations. An analysis of the influence of the Installed Base on Information Infrastructures should explore how the evolution of COTS solutions is conditioned by the structure of adopter and vendor ‘communities’

Prostate tumor attenuation in the nu/nu murine model due to anti-sarcosine antibodies in folate-targeted liposomes

Herein, we describe the preparation of liposomes with folate-targeting properties for the encapsulation of anti-sarcosine antibodies (antisarAbs@LIP) and sarcosine (sar@LIP). The competitive inhibitory effects of exogenously added folic acid supported the role of folate targeting in liposome internalization. We examined the effects of repeated administration on mice PC-3 xenografts. Sar@LIP treatment significantly increased tumor volume and weight compared to controls treated with empty liposomes. Moreover, antisarAbs@LIP administration exhibited a mild antitumor effect. We also identified differences in gene expression patterns post-treatment. Furthermore, Sar@LIP treatment resulted in decreased amounts of tumor zinc ions and total metallothioneins. Examination of the spatial distribution across the tumor sections revealed a sarcosine-related decline of the MT1X isoform within the marginal regions but an elevation after antisarAbs@LIP administration. Our exploratory results demonstrate the importance of sarcosine as an oncometabolite in PCa. Moreover, we have shown that sarcosine can be a potential target for anticancer strategies in management of PCa