Symplectic algorithm for constant-pressure molecular dynamics using a Nose-Poincare thermostat

We present a new algorithm for isothermal-isobaric molecular-dynamics simulation. The method uses an extended Hamiltonian with an Andersen piston combined with the Nos'e-Poincar'e thermostat, recently developed by Bond, Leimkuhler and Laird [J. Comp. Phys., 151, (1999)]. This Nos'e-Poincar'e-Andersen (NPA) formulation has advantages over the Nos'e-Hoover-Andersen approach in that the NPA is Hamiltonian and can take advantage of symplectic integration schemes, which lead to enhanced stability for long-time simulations. The equations of motion are integrated using a Generalized Leapfrog Algorithm and the method is easy to implement, symplectic, explicit and time reversible. To demonstrate the stability of the method we show results for test simulations using a model for aluminum.Comment: 7 page

Middle Atlantic Outer Continental Shelf Environmental Studies Volume II-B: Chemical and Biological Benchmark Studies

The Middle Atlantic Outer Continental Shelf Environmental Studies is comprised of three volumes. Volume I. Executive Summary. Volume IIA, IIB, IIC and IID. Chemical and Biological Benchmark Studies. Volume III. Geologic Studies. This is the second of four sections of the Chemical and Biological Benchmark Studies CHAPTER 5. BOTTOM SEDIMENTS AND SEDIMENTARY FRAMEWORK by Donald .F. Boesch CHAPTER 6. BENTHIC ECOLOGICAL STUDIES: MACROBENTHOS by Donald F. Boesch CHAPTER 7. BENTHIC ECOLOGICAL STUDIES: MEIOBENTHOS by D.J. Hartzband and Donald F. Boesch CHAPTER 8. BENTHIC ECOLOGICAL STUDIES: FORAMINIFERA by Robert L. Ellison Chapters of this report contain the Institutes\u27 Special Reports in Applied Marine Science and Ocean Engineering No.193,194,195,196

Providing Self-Aware Systems with Reflexivity

We propose a new type of self-aware systems inspired by ideas from higher-order theories of consciousness. First, we discussed the crucial distinction between introspection and reflexion. Then, we focus on computational reflexion as a mechanism by which a computer program can inspect its own code at every stage of the computation. Finally, we provide a formal definition and a proof-of-concept implementation of computational reflexion, viewed as an enriched form of program interpretation and a way to dynamically "augment" a computational process.Comment: 12 pages plus bibliography, appendices with code description, code of the proof-of-concept implementation, and examples of executio

Spectroscopy of 19^{19}Ne for the thermonuclear 15^{15}O(α,γ\alpha,\gamma)19^{19}Ne and 18^{18}F(p,αp,\alpha)15^{15}O reaction rates

Uncertainties in the thermonuclear rates of the $^{15}$O($\alpha,\gamma$)$^{19}$Ne and $^{18}$F($p,\alpha$)$^{15}$O reactions affect model predictions of light curves from type I X-ray bursts and the amount of the observable radioisotope $^{18}$F produced in classical novae, respectively. To address these uncertainties, we have studied the nuclear structure of $^{19}$Ne over $E_{x} = 4.0 - 5.1$ MeV and $6.1 - 7.3$ MeV using the $^{19}$F($^{3}$He,t)$^{19}$Ne reaction. We find the $J^{\pi}$ values of the 4.14 and 4.20 MeV levels to be consistent with $9/2^{-}$ and $7/2^{-}$ respectively, in contrast to previous assumptions. We confirm the recently observed triplet of states around 6.4 MeV, and find evidence that the state at 6.29 MeV, just below the proton threshold, is either broad or a doublet. Our data also suggest that predicted but yet unobserved levels may exist near the 6.86 MeV state. Higher resolution experiments are urgently needed to further clarify the structure of $^{19}$Ne around the proton threshold before a reliable $^{18}$F($p,\alpha$)$^{15}$O rate for nova models can be determined.Comment: 5 pages, 3 figures, Phys. Rev. C (in press

An experimental investigation of the mechanical properties of a selected group of plastic materials

Dynamic and static testing of selected plastics for determination of mechanical propertie

X-Ray Groups of Galaxies in the Aegis Deep and Wide Fields

We present the results of a search for extended X-ray sources and their corresponding galaxy groups from 800-ks Chandra coverage of the All-wavelength Extended Groth Strip International Survey (AEGIS). This yields one of the largest X-ray selected galaxy group catalogs from a blind survey to date. The red-sequence technique and spectroscopic redshifts allow us to identify 100$$ of reliable sources, leading to a catalog of 52 galaxy groups. The groups span the redshift range $z\sim0.066-1.544$ and virial mass range $M_{200}\sim1.34\times 10^{13}-1.33\times 10^{14}M_\odot$. For the 49 extended sources which lie within DEEP2 and DEEP3 Galaxy Redshift Survey coverage, we identify spectroscopic counterparts and determine velocity dispersions. We select member galaxies by applying different cuts along the line of sight or in projected spatial coordinates. A constant cut along the line of sight can cause a large scatter in scaling relations in low-mass or high-mass systems depending on the size of cut. A velocity dispersion based virial radius can more overestimate velocity dispersion in comparison to X-ray based virial radius for low mass systems. There is no significant difference between these two radial cuts for more massive systems. Independent of radial cut, overestimation of velocity dispersion can be created in case of existence of significant substructure and also compactness in X-ray emission which mostly occur in low mass systems. We also present a comparison between X-ray galaxy groups and optical galaxy groups detected using the Voronoi-Delaunay method (VDM) for DEEP2 data in this field.Comment: Accepted for publication in AP

Directly Imaged L-T Transition Exoplanets in the Mid-Infrared

Gas-giant planets emit a large fraction of their light in the mid-infrared ($\gtrsim$3$\mu$m), where photometry and spectroscopy are critical to our understanding of the bulk properties of extrasolar planets. Of particular importance are the L and M-band atmospheric windows (3-5$\mu$m), which are the longest wavelengths currently accessible to ground-based, high-contrast imagers. We present binocular LBT AO images of the HR 8799 planetary system in six narrow-band filters from 3-4$\mu$m, and a Magellan AO image of the 2M1207 planetary system in a broader 3.3$\mu$m band. These systems encompass the five known exoplanets with luminosities consistent with L$\rightarrow$T transition brown dwarfs. Our results show that the exoplanets are brighter and have shallower spectral slopes than equivalent temperature brown dwarfs in a wavelength range that contains the methane fundamental absorption feature (spanned by the narrowband filters and encompassed by the broader 3.3$\mu$m filter). For 2M1207 b, we find that thick clouds and non-equilibrium chemistry caused by vertical mixing can explain the object's appearance. For the HR 8799 planets, we present new models that suggest the atmospheres must have patchy clouds, along with non-equilibrium chemistry. Together, the presence of a heterogeneous surface and vertical mixing presents a picture of dynamic planetary atmospheres in which both horizontal and vertical motions influence the chemical and condensate profiles.Comment: Accepted to Ap

Spin-parities of sub-threshold resonances in the 18^{18}F(p, α\alpha)15^{15}O reaction

The $^{18}$F(p, $\alpha$)$^{15}$O reaction is key to determining the $^{18}$F abundance in classical novae. However, the cross section for this reaction has large uncertainties at low energies largely caused by interference effects. Here, we resolve a longstanding issue with unknown spin-parities of sub-threshold states in $^{19}$Ne that reduces these uncertainties. The $^{20}$Ne($^3$He, $^4$He)$^{19}$Ne neutron pick-up reaction was used to populate $^{19}$Ne excited states, focusing on the energy region of astrophysical interest ($\approx$ 6 - 7 MeV). The experiment was performed at the Triangle Universities Nuclear Laboratory using the high resolution Enge split-pole magnetic spectrograph. Spins and parities were found for states in the astrophysical energy range. In particular, the state at 6.133 MeV (E$_{r}^{\text{c.m.}} = -278$ keV) was found to have spin and parity of $3/2^+$ and we confirm the existence of an unresolved doublet close to 6.288 MeV (E$_{r}^{\text{c.m.}} = -120$ keV) with J$^{\pi}$ = $1/2^+$ and a high-spin state. Using these results, we demonstrate a significant factor of two decrease in the reaction rate uncertainties at nova temperatures.Comment: 15 pages, 6 figures, accepted in Phys. Rev. C. Corrected typos and reference

Density functional theory of freezing: Analysis of crystal density

This is the publisher's version, also available electronically from http://scitation.aip.org/content/aip/journal/jcp/87/9/10.1063/1.453663The density functional theory of freezing is used to study the liquid to crystal phase transition in the hardsphere and Lennard‐Jones systems. An important step in the calculation is the parametrization of the solid phase average single particle density ρ(r). In this work two popular parametrizations are compared. The first method is a general Fourier decomposition of the periodic solid density in which the amplitude of each (non‐symmetry‐related) Fourier component is treated as an independent parameter. The second parametrization, which is more restrictive but easier to implement, approximates the solid density as a sum of Gaussian peaks centered at the sites of a periodic lattice. The two methods give essentially identical results for the phase diagrams for the two systems studied, but the crystal density predicted by the Fourier method exhibits significant anisotropies which are excluded from the Gaussian representation by construction

Constraints on Extrasolar Planet Populations from VLT NACO/SDI and MMT SDI and Direct Adaptive Optics Imaging Surveys: Giant Planets are Rare at Large Separations

We examine the implications for the distribution of extrasolar planets based on the null results from two of the largest direct imaging surveys published to date. Combining the measured contrast curves from 22 of the stars observed with the VLT NACO adaptive optics system by Masciadri et al. (2005), and 48 of the stars observed with the VLT NACO SDI and MMT SDI devices by Biller et al. (2007) (for a total of 60 unique stars; the median star for our survey is a 30 Myr K2 star at 25 pc), we consider what distributions of planet masses and semi-major axes can be ruled out by these data, based on Monte Carlo simulations of planet populations. We can set this upper limit with 95% confidence: the fraction of stars with planets with semi-major axis from 20 to 100 AU, and mass >4 M_Jup, is 20% or less. Also, with a distribution of planet mass of dN/dM ~ M^-1.16 between 0.5-13 M_Jup, we can rule out a power-law distribution for semi-major axis (dN/da ~ a^alpha) with index 0 and upper cut-off of 18 AU, and index -0.5 with an upper cut-off of 48 AU. For the distribution suggested by Cumming et al. (2007), a power-law of index -0.61, we can place an upper limit of 75 AU on the semi-major axis distribution. At the 68% confidence level, these upper limits state that fewer than 8% of stars have a planet of mass >4 M_Jup between 20 and 100 AU, and a power-law distribution for semi-major axis with index 0, -0.5, and -0.61 cannot have giant planets beyond 12, 23, and 29 AU, respectively. In general, we find that even null results from direct imaging surveys are very powerful in constraining the distributions of giant planets (0.5-13 M_Jup) at large separations, but more work needs to be done to close the gap between planets that can be detected by direct imaging, and those to which the radial velocity method is sensitive.Comment: 46 pages, 17 figures, accepted to Ap