Free energy and vibrational entropy difference between ordered and disordered Ni3Al

We have calculated free energy and vibrational entropy differences in Ni3Al between its equilibrium ordered structure and a disordered fcc solid solution. The free energy and entropy differences were calculated using the method of adiabatic switching in a molecular-dynamics formalism. The path chosen for the free-energy calculations directly connects the disordered with the ordered state. The atomic interactions are described by embedded-atom-method potentials. We find that the vibrational entropy difference increases with temperature from 0.14kB/atom at 300 K to 0.22kB/atom at 1200 K. We have calculated the density of states (DOS) of the disordered phase from the Fourier transform of the velocity-velocity autocorrelation function. The disordered DOS looks more like a broadened version of the ordered DOS. Analysis of the partial density of states shows that the Al atoms vibrations are most affected by the compositional disorder. The phonon partial spectral intensities along the 〈100〉 direction show that the vibrational spectrum of the disordered phase contains intensities at optical mode frequencies of the ordered alloy. We find that the volume difference between the ordered and disordered phases plays the most crucial role in the magnitude of the vibrational entropy difference. If the lattice constant of the two phases is set to the same value, the vibrational entropy difference decreases to zero

Entanglement dynamics via coherent-state propagators

The dynamical generation of entanglement in closed bipartite systems is investigated in the semiclassical regime. We consider a model of two particles, initially prepared in a product of coherent states, evolving in time according to a generic Hamiltonian, and derive a formula for the linear entropy of the reduced density matrix using the semiclassical propagator in the coherent-state representation. The formula is explicitly written in terms of quantities that define the stability of classical trajectories of the underlying classical system. The formalism is then applied to the problem of two nonlinearly coupled harmonic oscillators and the result is shown to be in remarkable agreement with the exact quantum measure of entanglement in the short-time regime. An important byproduct of our approach is a unified semiclassical formula which contemplates both the coherent-state propagator and its complex conjugate.Comment: 10 page

Correlation function and generalized master equation of arbitrary age

We study a two-state statistical process with a non-Poisson distribution of sojourn times. In accordance with earlier work, we find that this process is characterized by aging and we study three different ways to define the correlation function of arbitrary age of the corresponding dichotomous fluctuation based respectively on the Generalized Master Equation formalism, on a Liouville-like approach and on a trajectory perspective.Comment: 11 pages, 1figur

Massachusetts model system for educator evaluation

The synthesis and characterization of a series of platinum and palladium complexes containing a secondary borane Z-class ligand supported by 2-mercaptopyridine heterocycles is reported herein. Addition of 2 equiv of Na[H2B(mp)2] to [Pt(μ-Cl)(COEOMe)]2 (where COEOMe = 8-methoxycyclooct-4-en-1-ide) in the presence of 2 equiv of a tertiary phosphine (PR3 = PPh3, PCy3, PCyp3, P(o-tol)3, PPh2(o-tol), PPh2(2-(3-methyl)indolyl)) leads to the formation of the complexes [Pt{κ3-S,B,S-HB(mp)2}(PR3)] (1–6). Addition of 2 equiv of Na[H2B(mp)2] to [Pd(μ-Cl)(COEOMe)]2 in the presence of 2 equiv of a tertiary phosphine (PR3 = PPh3, PCy3, PCyp3, PPh2(o-tol)) leads to the formation of the complexes [Pd{κ3-S,B,S-HB(mp)2}(PR3)] (7–10). It was also demonstrated that the synthesis of the palladium complex 7 could be achieved from the palladium precursor [PdCl(Me)(COD)] (where COD = 1,5-cyclooctadiene) as an alternative synthetic strategy. In the above reactions, either the COEOMe fragment or the methyl fragment serves to act as a “hydride acceptor” facilitating the ultimate transformation of the borohydride-based ligand [H2B(mp)2]− to the corresponding secondary borane κ3-S,B,S coordinated HB(mp)2 pincer ligand. The complexes [Pd{κ3-S,B,S-HB(mp)2}(PR3)] and [Pt{κ3-S,B,S-HB(mp)2}(PR3)] are rare examples of metal–borane complexes where one hydrogen substituent remains at the boron center. These compounds have particularly short palladium– and platinum–boron distances, the shortest of the structurally characterized compounds being 2.067(6) Å for [Pd{κ3-S,B,S-HB(mp)2}(PPh2(o-tol))] and 2.076(10) Å for [Pt{κ3-S,B,S-HB(mp)2}(PCy3)], respectively (the shorter distances of two independent complexes in the unit cells of both structures)

Minimal Stochastic Model for Fermi's Acceleration

We introduce a simple stochastic system able to generate anomalous diffusion both for position and velocity. The model represents a viable description of the Fermi's acceleration mechanism and it is amenable to analytical treatment through a linear Boltzmann equation. The asymptotic probability distribution functions (PDF) for velocity and position are explicitly derived. The diffusion process is highly non-Gaussian and the time growth of moments is characterized by only two exponents $\nu_x$ and $\nu_v$. The diffusion process is anomalous (non Gaussian) but with a defined scaling properties i.e. $P(|{\bf x}|,t) = 1/t^{\nu_x}F_x(|{\bf x}|/t^{\nu_x})$ and similarly for velocity.Comment: RevTeX4, 4 pages, 2 eps-figures (minor revision

Ontogenetic Shifts in Resource Allocation: Colour Change and Allometric Growth of Defensive and Reproductive Structures in the Caribbean Spiny Lobster Panulirus argus

Resource allocation theory predicts a disproportionately large allocation of resources to defensive structures during early ontogeny in organisms that are subject to more intense predation at smaller than at larger body sizes. We tested this prediction on the Caribbean spiny lobster Panulirus argus, which exhibits a negative relationship between predation risk and body size with a high natural mortality of smaller individuals. Independent allometric growth analyses demonstrated that numerous defensive structures (e.g. orbital horns, segments supporting the antenna, the tail fan) display negative allometric growth throughout ontogeny. We interpret these findings as lobsters investing disproportionately more resources to defensive structures when small to improve survivorship. Similarly, we observed an ontogenetic shift in lobster colour pattern; small individuals (\u3c23mm carapace length) that inhabit nursery grounds (preferably among red algae) displayed a disruptive pattern (camouflage), whereas larger juveniles displayed a bicolour pigmentation typical of adult lobsters. This shift in colour pattern further suggests that small lobsters employ cryptic coloration throughout their asocial algal stage. However, this cryptic coloration offers no advantage when lobsters grow larger and start dwelling in crevices. Other structures linked to reproduction (e.g. female pleopods and male pereopods) experienced either isometric or positive allometric growth throughout ontogeny. Our results support one of the main predictions of resource allocation theory and demonstrate ontogenetic shifts in defensive structures and coloration concomitantly with changes in lobster mortality risk mediated by size-dependent predation risk. © 2012 The Linnean Society of Londo

Non-clasical Nucleation in Supercooled Nickel

The dynamics of homogeneous nucleation and growth of crystalline nickel from the super-cooled melt is examined during rapid quenching using molecular dynamics and a modified embedded atom method potential. The character of the critical nuclei of the crystallization transition is examined using common neighbor analysis and visualization. At nucleation the saddle point droplet consists of randomly stacked planar structures with an in plane triangular order. These results are consistent with previous theoretical results that predict that the nucleation process in some metals is non-classical due to the presence of long-range forces and a spinodal.Comment: 4 pages, 5 figure

BeppoSAX Observations of the Maser Sy2 Galaxy: ESO103-G35

We have made BeppoSAX observations of the Seyfert 2/1.9 galaxy ESO103-G35, which contains a nuclear maser source and is known to be heavily absorbed in the X-rays. Analysis of the X-ray spectra observed by SAX in October 1996 and 1997 yields a spectral index 0.74+/-0.07, typical of Seyfert galaxies and consistent with earlier observations of this source. The strong, soft X-ray absorption has column density 1.79E(23)/cm^2, again consistent with earlier results. The best fitting spectrum is that of a power law with a high energy cutoff at 29+/-10 keV, a cold, marginally resolved Fe Kalpha line with EW 290 eV (1996) and a mildly ionized Fe K-edge at 7.37 keV. The Kalpha line and cold absorption are consistent with origin in a accretion disk/torus through which our line-of-sight passes at a radial distance of $\sim 50$ pc. The Fe K-edge is mildly ionized suggesting the presence of ionized gas probably in the inner accretion disk, close to the central source or in a separate warm absorber. The data quality is too low to distinguish between these possibilities but the edge-on geometry implied by the water maser emission favors the former. Comparison with earlier observations of ESO103-G35 shows little/no change in spectral parameters while the flux changes by factors of a few on timescales of a few months. The 2--10 keV flux decreased by a factor of 2.7 between Oct 1996 and Oct 1997 with no detectable change in the count rate >20 keV suggesting a constant or delayed response reflection component. The high energy cutoff is lower than the typical 300keV values seen in Seyfert galaxies. A significant subset of similar sources would affect current models of the AGN contribution to the cosmic X-ray background which generally assume a high energy cutoff of 300 keV.Comment: 22 pages, postscript file, accepted for publication in Ap

Weighing the Milky Way

We describe an experiment to measure the mass of the Milky Way galaxy. The experiment is based on calculated light travel times along orthogonal directions in the Schwarzschild metric of the Galactic center. We show that the difference is proportional to the Galactic mass. We apply the result to light travel times in a 10cm Michelson type interferometer located on Earth. The mass of the Galactic center is shown to contribute 10^-6 to the flat space component of the metric. An experiment is proposed to measure the effect.Comment: 10 pages, 1 figur