The self-referential method for linear rigid bodies : application to hard and Lennard-Jones dumbbells

The self-referential (SR) method incorporating thermodynamic integration (TI) [Sweatman et al., J. Chem. Phys. 128, 064102 (2008)] is extended to treat systems of rigid linear bodies. The method is then applied to obtain the canonical ensemble Helmholtz free energy of the alpha-N2 and plastic face centered cubic phases of systems of hard and Lennard-Jones dumbbells using Monte Carlo simulations. Generally good agreement with reference literature data is obtained, which indicates that the SR-TI method is potentially very general and robust

Recent Decisions

INCOME TAX--LIQUIDATION OF FOREIGN CORPORATIONS--SHAREHOLDERS IN A LIQUIDATING FOREIGN CORPORATION MUST INCLUDE IN THE CORPORATION\u27S EARNINGS AND PROFITS ACCOUNT THE AMOUNT OF RECAPTURED EXCESS DEPRECIATION REALIZED UPON THE SALE OF ITS ASSETS William W. Allen CUSTOMS DUTIES--ANTIDUMPING ACT OF 1921--THE SECRETARY OF THE TREASURY HAS No AUTHORITY TO TERMINATE A WITH-HOLDING OF APPRAISEMENT PRIOR TO THE PUBLICATION OF A DUMPING FINDING BASED ON A LIKELIHOOD OF INJURY DETERMINATION BY THE INTERNATIONAL TRADE COMMISSION Alexander A. Hassani INTERNATIONAL BANKING--BANKRUPTCY-FOREIGN BANKS NEITHER REGULATED BY NOR LICENSED To Do BUSINESS IN THE UNITED STATES MAY FILE FOR VOLUNTARY BANKRUPTCY UNDER THE NATIONAL BANKRUPTCY ACT Peter Appleton Schulle

Quantum Electrical Dipole in Triangular Systems: a Model for Spontaneous Polarity in Metal Clusters

Triangular symmetric molecules with mirror symmetry perpendicular to the 3-fold axis are forbidden to have a fixed electrical dipole moment. However, if the ground state is orbitally degenerate and lacks inversion symmetry, then a ``quantum'' dipole moment does exist. The system of 3 electrons in D_3h symmetry is our example. This system is realized in triatomic molecules like Na_3. Unlike the fixed dipole of a molecule like water, the quantum moment does not point in a fixed direction, but lies in the plane of the molecule and takes quantized values +/- mu_0 along any direction of measurement in the plane. An electric field F in the plane leads to a linear Stark splitting +/- mu_0 F}. We introduce a toy model to study the effect of Jahn-Teller distortions on the quantum dipole moment. We find that the quantum dipole property survives when the dynamic Jahn-Teller effect is included, if the distortion of the molecule is small. Linear Stark splittings are suppressed in low fields by molecular rotation, just as the linear Stark shift of water is suppressed, but will be revealed in moderately large applied fields and low temperatures. Coulomb correlations also give a partial suppression.Comment: 10 pages with 7 figures included; thoroughly revised with a new coauthor; final minor change

Incommensurate spin correlations in Heisenberg spin-1/2 zig-zag ladders

We develop a low-energy effective theory for spin-1/2 frustrated two-leg Heisenberg spin ladders. We obtain a new type of interchain coupling that breaks parity symmetry. In the presence of an XXZ-type anisotropy, this interaction gives rise to a novel ground state, characterized by incommensurate correlations. In the case of a single ladder, this state corresponds to a spin nematic phase. For a frustrated quasi-one-dimensional system of infinitely many weakly coupled chains, this state develops true three dimensional spiral order. We apply our theory to recent neutron scattering experiments on $Cs_2CuCl_4$.Comment: 4 pages of revtex, 3 figure

Adiposity in middle and old age and risk of death from dementia: 40-year follow-up of 19,000 men in the Whitehall study.

AIMS AND OBJECTIVES: to examine the hypothesis that obesity is protective for dementia, we compared the associations of death from dementia with body weight and body mass index (BMI) in both middle and old age. DESIGN: height and weight were measured in a prospective study of 19,019 middle-aged men in the Whitehall study in 1967-70 and in 6,158 surviving participants at resurvey in 1997. Cox regression was used to examine the associations of death from dementia over a 40-year period with weight or BMI measured by health professionals in middle and old age adjusting for age, smoking habits, employment grade and marital status. SETTING: central government employees in London, UK. MAIN OUTCOMES MEASURE: death due to dementia in 320 participants. RESULTS: body weight measured in middle age was weakly inversely associated with death from dementia (hazard ratio 0.98 [95%CI: 0.97-0.99] per kg), but neither height nor BMI were related to risk of dementia. In contrast, body weight in old age was more strongly inversely related to deaths from dementia (0.96; [0.95-0.98] per kg) as was BMI (0.92 [0.86-0.97] per kg/m2). Weight loss over the 30 years between baseline and resurvey was associated with a higher risk of death from dementia, with an adjusted HR per kg/30 years of 1.04 [95%CI: 1.02-1.08] and the association with loss of BMI was even stronger (adjusted HR of 1.10 [1.03-1.19]) per kg/m2 decrease. CONCLUSIONS: the stronger inverse associations of deaths from dementia with BMI in old age, compared with middle age, together with strong positive associations of loss of BMI or body weight between middle and old age casts doubt on previous suggestions that obesity protects against death from dementia

The Formation of Broad Line Clouds in the Accretion Shocks of Active Galactic Nuclei

Recent work on the gas dynamics in the Galactic Center has improved our understanding of the accretion processes in galactic nuclei, particularly with regard to properties such as the specific angular momentum distribution, density, and temperature of the inflowing plasma. This information can be valuable in trying to determine the origin of the Broad Line Region (BLR) in Active Galactic Nuclei (AGNs). In this paper, we explore various scenarios for the cloud formation based on the underlying principle that the source of plasma is ultimately that portion of the gas trapped by the central black hole from the interstellar medium. Based on what we know about the Galactic Center, it is likely that in highly dynamic environments such as this, the supply of matter is due mostly to stellar winds from the central cluster. Winds accreting onto a central black hole are subjected to several disturbances capable of producing shocks, including a Bondi-Hoyle flow, stellar wind-wind collisions, and turbulence. Shocked gas is initially compressed and heated out of thermal equilibrium with the ambient radiation field; a cooling instability sets in as the gas is cooled via inverse-Compton and bremsstrahlung processes. If the cooling time is less than the dynamical flow time through the shock region, the gas may clump to form the clouds responsible for broad line emission seen in many AGN spectra. Clouds produced by this process display the correct range of densities and velocity fields seen in broad emission lines. Very importantly, the cloud distribution agrees with the results of reverberation studies, in which it is seen that the central line peak responds slower to continuum changes than the line wings.Comment: 22 pages, 5 figure

Star formation in the central 0.5 pc of the Milky Way

The supermassive black hole candidate at the Galactic Center is surrounded by a parsec-scale star cluster, which contains a number of early type stars. The presence of such stars has been called a "paradox of youth" as star formation in the immediate vicinity of a supermassive black hole seemed difficult, as well as the transport of stars from far out in a massive-star lifetime. I will recall 30 years of technological developments which led to the current understanding of the nuclear cluster stellar population. The number of early type stars known at present is sufficient to access the 3D structure of this population and its dynamics, which in turn allows discriminating between the various possible origins proposed along the years.Comment: 8 pages, invited review for the conference "The Universe under the Microscope" (AHAR 2008), to be published in Journal of Physics: Conference Series by Institute of Physics Publishin

Field and intensity correlations in amplifying random media

We study local and nonlocal correlations of light transmitted through active random media. The conventional approach results in divergence of ensemble averaged correlation functions due to existence of lasing realizations. We introduce conditional average for correlation functions by omitting the divergent realizations. Our numerical simulation reveals that amplification does not affect local spatial correlation. The nonlocal intensity correlations are strongly magnified due to selective enhancement of the contributions from long propagation paths. We also show that by increasing gain, the average mode linewidth can be made smaller than the average mode spacing. This implies that light transport through a diffusive random system with gain could exhibit some similarities to that through a localized passive system, owing to dominant influence of the resonant modes with narrow width.Comment: 5 pages, 4 figure

A rare schizophrenia risk variant of CACNA1I disrupts CaV3.3 channel activity

CACNA1I is a candidate schizophrenia risk gene. It encodes the pore-forming human CaV3.3 α1 subunit, a subtype of voltage-gated calcium channel that contributes to T-type currents. Recently, two de novo missense variations, T797M and R1346H, of hCaV3.3 were identified in individuals with schizophrenia. Here we show that R1346H, but not T797M, is associated with lower hCaV3.3 protein levels, reduced glycosylation, and lower membrane surface levels of hCaV3.3 when expressed in human cell lines compared to wild-type. Consistent with our biochemical analyses, whole-cell hCaV3.3 currents in cells expressing the R1346H variant were ~50% of those in cells expressing WT hCaV3.3, and neither R1346H nor T797M altered channel biophysical properties. Employing the NEURON simulation environment, we found that reducing hCaV3.3 current densities by 22% or more eliminates rebound bursting in model thalamic reticular nucleus (TRN) neurons. Our analyses suggest that a single copy of Chr22: 39665939G > A CACNA1I has the capacity to disrupt CaV3.3 channel-dependent functions, including rebound bursting in TRN neurons, with potential implications for schizophrenia pathophysiology