3,811 research outputs found
A universal formulation for conic trajectories. Basic variables and relationships
Truncated trigonometric functions for conic trajectory formulation in space flight application
Gaussian-Charge Polarizable Interaction Potential for Carbon Dioxide
A number of simple pair interaction potentials of the carbon dioxide molecule
are investigated and found to underestimate the magnitude of the second virial
coefficient in the temperature interval 220 K to 448 K by up to 20%. Also the
third virial coefficient is underestimated by these models. A rigid,
polarizable, three-site interaction potential reproduces the experimental
second and third virial coefficients to within a few percent. It is based on
the modified Buckingham exp-6 potential, an anisotropic Axilrod-Teller
correction and Gaussian charge densities on the atomic sites with an inducible
dipole at the center of mass. The electric quadrupole moment, polarizability
and bond distances are set to equal experiment. Density of the fluid at 200 and
800 bars pressure is reproduced to within some percent of observation over the
temperature range 250 K to 310 K. The dimer structure is in passable agreement
with electronically resolved quantum-mechanical calculations in the literature,
as are those of the monohydrated monomer and dimer complexes using the
polarizable GCPM water potential. Qualitative agreement with experiment is also
obtained, when quantum corrections are included, for the relative stability of
the trimer conformations, which is not the case for the pair potentials.Comment: Error in the long-range correction fixed and three-body dispersion
introduced. 32 pages (incl. title page), 7 figures, 9 tables, double-space
Probing the hydrogen melting line at high pressures by dynamic compression
We investigate the capabilities of dynamic compression by intense heavy ion beams to yield information about the high pressure phases of hydrogen. Employing ab initio simulations and experimental data, a new wide range equation of state for hydrogen is constructed. The results show that the melting line up to its maximum as well as the transition from molecular fluids to fully ionized plasmas can be tested with the beam parameters soon to be available. We demonstrate that x-ray scattering can distinguish between phases and dissociation states
Shape oscillations of a charged diamagnetically-levitated droplet
We investigate the effect of electrical charge on the normal mode frequencies
of electrically-charged diamagnetically levitated water droplets with radii
4.5-7.5 mm using diamagnetic levitation. This technique allows us to levitate
almost spherical droplets and therefore to directly compare the measured
vibrational frequencies of the first seven modes of the charged droplet with
theoretical values calculated by Lord Rayleigh, for which we find good
agreement
Molecular Density Functional Theory of Water describing Hydrophobicity at Short and Long Length Scales
We present an extension of our recently introduced molecular density
functional theory of water [G. Jeanmairet et al., J. Phys. Chem. Lett. 4, 619,
2013] to the solvation of hydrophobic solutes of various sizes, going from
angstroms to nanometers. The theory is based on the quadratic expansion of the
excess free energy in terms of two classical density fields, the particle
density and the multipolar polarization density. Its implementation requires as
input a molecular model of water and three measurable bulk properties, namely
the structure factor and the k-dependent longitudinal and transverse dielectric
susceptibilities. The fine three-dimensional water structure around small
hydrophobic molecules is found to be well reproduced. In contrast the computed
solvation free-energies appear overestimated and do not exhibit the correct
qualitative behavior when the hydrophobic solute is grown in size. These
shortcomings are corrected, in the spirit of the Lum-Chandler-Weeks theory, by
complementing the functional with a truncated hard-sphere functional acting
beyond quadratic order in density. It makes the resulting functional compatible
with the Van-der-Waals theory of liquid-vapor coexistence at long range.
Compared to available molecular simulations, the approach yields reasonable
solvation structure and free energy of hard or soft spheres of increasing size,
with a correct qualitative transition from a volume-driven to a surface-driven
regime at the nanometer scale.Comment: 24 pages, 8 figure
QCD Viscosity to Entropy Density Ratio in the Hadronic Phase
Shear viscosity (eta) of QCD in the hadronic phase is computed by the coupled
Boltzmann equations of pions and nucleons in low temperatures and low baryon
number densities. The eta to entropy density ratio eta/s maps out the nuclear
gas-liquid phase transition by forming a valley tracing the phase transition
line in the temperature-chemical potential plane. When the phase transition
turns into a crossover, the eta/s valley gradually disappears. We suspect the
general feature for a first-order phase transition is that eta/s has a
discontinuity in the bottom of the eta/s valley. The discontinuity coincides
with the phase transition line and ends at the critical point. Beyond the
critical point, a smooth eta/s valley is seen. However, the valley could
disappear further away from the critical point. The eta/s measurements might
provide an alternative to identify the critical points.Comment: 16 pages, 4 figures. Minor typos corrected and references adde
Bulk Viscosity of a Gas of Massless Pions
In the hadronic phase, the dominant configuration of QCD with two flavors of
massless quarks is a gas of massless pions. We calculate the bulk viscosity
(zeta) using the Boltzmann equation with the kinetic theory generalized to
incorporate the trace anomaly. We find that the dimensionless ratio zeta/s, s
being the entropy density, is monotonic increasing below T=120 MeV, where
chiral perturbation theory is applicable. This, combined with previous results,
shows that zeta/s reaches its maximum near the phase transition temperature Tc,
while eta/s, eta being the shear viscosity, reaches its minimum near Tc in QCD
with massless quarks.Comment: 12 pages, 1 figure; the version to appear in PR
Statistical Mechanics of Membrane Protein Conformation: A Homopolymer Model
The conformation and the phase diagram of a membrane protein are investigated
via grand canonical ensemble approach using a homopolymer model. We discuss the
nature and pathway of -helix integration into the membrane that results
depending upon membrane permeability and polymer adsorptivity. For a membrane
with the permeability larger than a critical value, the integration becomes the
second order transition that occurs at the same temperature as that of the
adsorption transition. For a nonadsorbing membrane, the integration is of the
first order due to the aggregation of -helices.Comment: RevTeX with 5 postscript figure
Performance of a cryogenic system prototype for the XENON1T Detector
We have developed an efficient cryogenic system with heat exchange and
associated gas purification system, as a prototype for the XENON1T experiment.
The XENON1T detector will use about 3 ton of liquid xenon (LXe) at a
temperature of 175K as target and detection medium for a dark matter search. In
this paper we report results on the cryogenic system performance focusing on
the dynamics of the gas circulation-purification through a heated getter, at
flow rates above 50 Standard Liter per Minute (SLPM). A maximum flow of 114
SLPM has been achieved, and using two heat exchangers in parallel, a heat
exchange efficiency better than 96% has been measured
Genetic variation for adaptive traits is associated with polymorphic inversions in Littorina saxatilis
Chromosomal inversions have long been recognized for their role in local adaptation. By suppressing recombination in heterozygous individuals, they can maintain coadapted gene complexes and protect them from homogenizing effects of gene flow. However, to fully understand their importance for local adaptation we need to know their influence on phenotypes under divergent selection. For this, the marine snail Littorina saxatilis provides an ideal study system. Divergent ecotypes adapted to wave action and crab predation occur in close proximity on intertidal shores with gene flow between them. Here, we used F2 individuals obtained from crosses between the ecotypes to test for associations between genomic regions and traits distinguishing the Crab-/Wave-adapted ecotypes including size, shape, shell thickness, and behavior. We show that most of these traits are influenced by two previously detected inversion regions that are divergent between ecotypes. We thus gain a better understanding of one important underlying mechanism responsible for the rapid and repeated formation of ecotypes: divergent selection acting on inversions. We also found that some inversions contributed to more than one trait suggesting that they may contain several loci involved in adaptation, consistent with the hypothesis that suppression of recombination within inversions facilitates differentiation in the presence of gene flow
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