The isolated neutron star candidate 2XMM J104608.7-594306

Over the last decade, X-ray observations have revealed the existence of several classes of isolated neutron stars (INSs) which are radio-quiet or exhibit radio emission with properties much at variance with those of ordinary radio pulsars. The identification of new sources is crucial in order to understand the relations among the different classes and to compare observational constraints with theoretical expectations. A recent analysis of the 2XMMp catalogue provided fewer than 30 new thermally emitting INS candidates. Among these, the source 2XMM J104608.7-594306 appears particularly interesting because of the softness of its X-ray spectrum, kT = 117 +/- 14 eV and N(H) = (3.5 +/- 1.1) x 10(21) cm(-2) (3 sigma), and of the present upper limits in the optical, m(B) greater than or similar to 26, m(V) greater than or similar to 25.5 and m(R) greater than or similar to 25 (98.76% confidence level), which imply a logarithmic X-ray-to-optical flux ratio log(F(X)/F(V)) greater than or similar to 3.1, corrected for absorption. We present the X-ray and optical properties of 2XMM J104608.7-594306 and discuss its nature in the light of two possible scenarios invoked to explain the X-ray thermal emission from INSs: the release of residual heat in a cooling neutron star, as in the seven radio-quiet ROSAT-discovered INSs, and accretion from the interstellar medium. We find that the present observational picture of 2XMM J104608.7-594306 is consistent with a distant cooling INS with properties in agreement with the most up-to-date expectations of population synthesis models: it is fainter, hotter and more absorbed than the seven ROSAT sources and possibly located in the Carina Nebula, a region likely to harbour unidentified cooling neutron stars. The accretion scenario, although not entirely ruled out by observations, would require a very slow (similar to 10 km s(-1)) INS accreting at the Bondi-Hoyle rate.

Can dark matter decay in dark energy?

We analyze the interaction between dark energy and dark matter from a thermodynamical perspective. By assuming they have different temperatures, we study the possibility of occurring a decay from dark matter into dark energy, characterized by a negative parameter Q. We find that, if at least one of the fluids has nonvanishing chemical potential, for instance mu(x)< 0 and mu(dm)=0 or mu(x)=0 and mu(dm)> 0, the decay is possible, where mu(x) and mu(dm) are the chemical potentials of dark energy and dark matter, respectively. Using recent cosmological data, we find that, for a fairly simple interaction, the dark matter decay is favored with a probability of similar to 93% over the dark energy decay. This result comes from a likelihood analysis where only background evolution has been considered.

SOLITON SOLUTIONS TO SYSTEMS OF COUPLED SCHRODINGER EQUATIONS OF HAMILTONIAN TYPE

We study the existence of positive solutions of Hamiltonian-type systems of second-order elliptic PDE in the whole space. The systems depend on a small parameter and involve a potential having a global well structure. We use dual variational methods, a mountain-pass type approach and Fourier analysis to prove positive solutions exist for sufficiently small values of the parameter.

Growth and capping of InAs/GaAs quantum dots investigated by x-ray Bragg-surface diffraction

An x-ray diffraction method, based on the excitation of a surface diffracted wave, is described to investigate the capping process of InAs/GaAs (001) quantum dots (QDs). It is sensitive to the tiny misorientation of (111) planes at the surface of the buffer layer on samples with exposed QDs. After capping, the misorientation occurs in the cap-layer lattice faceting the QDs and its magnitude can be as large as 10 degrees depending on the QDs growth rates, probably due to changes in the size and shape of the QDs. A slow strain release process taking place at room temperature has also been observed by monitoring the misorientation angle of the (111) planes.

Transverse momentum dependence of eta meson suppression in Au plus Au collisions at root s(NN)=200 GeV

New measurements by the PHENIX experiment at the Relativistic Heavy Ion Collider for. production at midrapidity as a function of transverse momentum ((PT)) and collision centrality in root s(NN) = 200 GeV Au + Au and p + p collisions are presented. They indicate nuclear modification factors (R(AA)) which are similar in both magnitude and trend to those found in earlier pi(0) measurements. Linear fits to R(AA) as a function of (PT) in 5-20 GeV/c show that the slope is consistent with zero within two standard deviations at all centralities, although a slow rise cannot be excluded. Having different statistical and systematic uncertainties, the pi(0) and eta measurements are complementary at high (PT); thus, along with the extended (PT) range of these data they can provide additional constraints for theoretical modeling and the extraction of transport properties.

The Importance of Protein-Protein Interactions on the pH-Induced Conformational Changes of Bovine Serum Albumin: A Small-Angle X-Ray Scattering Study

The combined effects of concentration and pH on the conformational states of bovine serum albumin (BSA) are investigated by small-angle x-ray scattering. Serum albumins, at physiological conditions, are found at concentrations of similar to 35-45 mg/mL (42 mg/mL in the case of humans). In this work, BSA at three different concentrations (10, 25, and 50 mg/mL) and pH values (2.0-9.0) have been studied. Data were analyzed by means of the Global Fitting procedure, with the protein form factor calculated from human serum albumin (HSA) crystallographic structure and the interference function described, considering repulsive and attractive interaction potentials within a random phase approximation. Small-angle x-ray scattering data show that BSA maintains its native state from pH 4.0 up to 9.0 at all investigated concentrations. A pH-dependence of the absolute net protein charge is shown and the charge number per BSA is quantified to 10(2), 8(l), 13(2), 20(2), and 26(2) for pH values 4.0, 5.4, 7.0, 8.0, and 9.0, respectively. The attractive potential diminishes as BSA concentration increases. The coexistence of monomers and dimers is observed at 50 mg/mL and pH 5.4, near the BSA isoelectric point. Samples at pH 2.0 show a different behavior, because BSA overall shape changes as a function of concentration. At 10 mg/mL, BSA is partially unfolded and a strong repulsive protein-protein interaction occurs due to the high amount of exposed charge. At 25 and 50 mg/mL, BSA undergoes some refolding, which likely results in a molten-globule state. This work concludes by confirming that the protein concentration plays an important role on the pH-unfolded BSA state, due to a delicate compromise between interaction forces and crowding effects.

Study of the optical and magnetic properties of pyrimidine in water combining PCM and QM/MM methodologies

The solvent effects on the low-lying absorption spectrum and on the (15)N chemical shielding of pyrimidine in water are calculated using the combined and sequential Monte Carlo simulation and quantum mechanical calculations. Special attention is devoted to the solute polarization. This is included by an iterative procedure previously developed where the solute is electrostatically equilibrated with the solvent. In addition, we verify the simple yet unexplored alternative of combining the polarizable continuum model (PCM) and the hybrid QM/MM method. We use PCM to obtain the average solute polarization and include this in the MM part of the sequential QM/MM methodology, PCM-MM/QM. These procedures are compared and further used in the discrete and the explicit solvent models. The use of the PCM polarization implemented in the MM part seems to generate a very good description of the average solute polarization leading to very good results for the n-pi* excitation energy and the (15)N nuclear chemical shield of pyrimidine in aqueous environment. The best results obtained here using the solute pyrimidine surrounded by 28 explicit water molecules embedded in the electrostatic field of the remaining 472 molecules give the statistically converged values for the low lying n-pi* absorption transition in water of 36 900 +/- 100 (PCM polarization) and 36 950 +/- 100 cm(-1) (iterative polarization), in excellent agreement among one another and with the experimental value observed with a band maximum at 36 900 cm(-1). For the nuclear shielding (15)N the corresponding gas-water chemical shift obtained using the solute pyrimidine surrounded by 9 explicit water molecules embedded in the electrostatic field of the remaining 491 molecules give the statistically converged values of 24.4 +/- 0.8 and 28.5 +/- 0.8 ppm, compared with the inferred experimental value of 19 +/- 2 ppm. Considering the simplicity of the PCM over the iterative polarization this is an important aspect and the computational savings point to the possibility of dealing with larger solute molecules. This PCM-MM/QM approach reconciles the simplicity of the PCM model with the reliability of the combined QM/MM approaches.

Power-law creep behavior of a semiflexible chain

Rheological properties of adherent cells are essential for their physiological functions, and microrheological measurements on living cells have shown that their viscoelastic responses follow a weak power law over a wide range of time scales. This power law is also influenced by mechanical prestress borne by the cytoskeleton, suggesting that cytoskeletal prestress determines the cell's viscoelasticity, but the biophysical origins of this behavior are largely unknown. We have recently developed a stochastic two-dimensional model of an elastically joined chain that links the power-law rheology to the prestress. Here we use a similar approach to study the creep response of a prestressed three-dimensional elastically jointed chain as a viscoelastic model of semiflexible polymers that comprise the prestressed cytoskeletal lattice. Using a Monte Carlo based algorithm, we show that numerical simulations of the chain's creep behavior closely correspond to the behavior observed experimentally in living cells. The power-law creep behavior results from a finite-speed propagation of free energy from the chain's end points toward the center of the chain in response to an externally applied stretching force. The property that links the power law to the prestress is the chain's stiffening with increasing prestress, which originates from entropic and enthalpic contributions. These results indicate that the essential features of cellular rheology can be explained by the viscoelastic behaviors of individual semiflexible polymers of the cytoskeleton.

Electronic properties of liquid ammonia: A sequential molecular dynamics/quantum mechanics approach

The electronic properties of liquid ammonia are investigated by a sequential molecular dynamics/quantum mechanics approach. Quantum mechanics calculations for the liquid phase are based on a reparametrized hybrid exchange-correlation functional that reproduces the electronic properties of ammonia clusters [(NH(3))(n); n=1-5]. For these small clusters, electron binding energies based on Green's function or electron propagator theory, coupled cluster with single, double, and perturbative triple excitations, and density functional theory (DFT) are compared. Reparametrized DFT results for the dipole moment, electron binding energies, and electronic density of states of liquid ammonia are reported. The calculated average dipole moment of liquid ammonia (2.05 +/- 0.09 D) corresponds to an increase of 27% compared to the gas phase value and it is 0.23 D above a prediction based on a polarizable model of liquid ammonia [Deng , J. Chem. Phys. 100, 7590 (1994)]. Our estimate for the ionization potential of liquid ammonia is 9.74 +/- 0.73 eV, which is approximately 1.0 eV below the gas phase value for the isolated molecule. The theoretical vertical electron affinity of liquid ammonia is predicted as 0.16 +/- 0.22 eV, in good agreement with the experimental result for the location of the bottom of the conduction band (-V(0)=0.2 eV). Vertical ionization potentials and electron affinities correlate with the total dipole moment of ammonia aggregates. (c) 2008 American Institute of Physics.

1/N expansion in noncommutative quantum mechanics

We study the 1/N expansion in noncommutative quantum mechanics for the anharmonic and Coulombian potentials. The expansion for the anharmonic oscillator presented good convergence properties, but for the Coulombian potential, we found a divergent large N expansion when using the usual noncommutative generalization of the potential. We proposed a modified version of the noncommutative Coulombian potential which provides a well-behaved 1/N expansion.

Anelastic spectroscopy study of the metal-insulator transition of Nd(1-x)Eu(x)NiO(3)

Measurements are presented of the complex dynamic Young's modulus of NdNiO(3) and Nd(0.65)Eu(0.35)NiO(3) through the metal-insulator transition (MIT). Upon cooling, the modulus presents a narrow dip at the MIT followed by an abrupt stiffening of similar to 6%. The anomaly is reproducible between cooling and heating in Nd(0.65)Eu(0.35)NiO(3) but appears only as a slow stiffening during cooling in undoped NdNiO(3), in conformance with the fact that the MIT in RNiO(3) changes from strongly first order to second order when the mean R size is decreased. The elastic anomaly seems not to be associated with the antiferromagnetic transition, which is distinct from the MIT in Nd(0.65)Eu(0.35)NiO(3). It is concluded that the steplike stiffening is due to the disappearance or freezing of dynamic Jahn-Teller (JT) distortions through the MIT, where the JT active Ni(3+) is disproportionated into alternating Ni(3+delta) and Ni(3-delta). The fluctuating octahedral JT distortion necessary to justify the observed jump in the elastic modulus is estimated as similar to 3% but does not have a role in determining the MIT, since the otherwise-expected precursor softening is not observed.

Approximation to density functional theory for the calculation of band gaps of semiconductors

The local-density approximation (LDA) together with the half occupation (transitionstate) is notoriously successful in the calculation of atomic ionization potentials. When it comes to extended systems, such as a semiconductor infinite system, it has been very difficult to find a way to half ionize because the hole tends to be infinitely extended (a Bloch wave). The answer to this problem lies in the LDA formalism itself. One proves that the half occupation is equivalent to introducing the hole self-energy (electrostatic and exchange correlation) into the Schrodinger equation. The argument then becomes simple: The eigenvalue minus the self-energy has to be minimized because the atom has a minimal energy. Then one simply proves that the hole is localized, not infinitely extended, because it must have maximal self-energy. Then one also arrives at an equation similar to the self- interaction correction equation, but corrected for the removal of just 1/2 electron. Applied to the calculation of band gaps and effective masses, we use the self- energy calculated in atoms and attain a precision similar to that of GW, but with the great advantage that it requires no more computational effort than standard LDA.

Polaron liquid-gas crossover at the orthorhombic-rhombohedral transition of manganites

High-resolution synchrotron x-ray powder diffraction in La(0.7)Ca(0.3)MnO(3) shows in detail a first-order structural phase transition from orthorhombic (space-group Pnma) to rhombohedral (space-group R (3) over barc) crystal structures near T(S)=710 K. Magnetic susceptibility measurements show that the rhombohedral phase strictly obeys the Curie-Weiss law as opposed to the orthorhombic phase. A concomitant change in the electrical resistivity behavior, consistent with an alteration from nonadiabatic to adiabatic small polaron hopping regimes, was also observed at T(S). The simultaneous change in transport and magnetic properties are identified as a transition from a correlated polaron liquid for TT(S), driven by the change in the crystal symmetry.

Optical absorption and electronic band structure first-principles calculations of alpha-glycine crystals

Light absorption of alpha-glycine crystals grown by slow evaporation at room temperature was measured, indicating a 5.11 +/- 0.02 eV energy band gap. Structural, electronic, and optical absorption properties of alpha-glycine crystals were obtained by first-principles quantum mechanical calculations using density functional theory within the generalized gradient approximation in order to understand this result. To take into account the contribution of core electrons, ultrasoft and norm-conserving pseudopotentials, as well as an all electron approach were considered to compute the electronic density of states and band structure of alpha-glycine crystals. They exhibit three indirect energy band gaps and one direct Gamma-Gamma energy gap around 4.95 eV. The optical absorption related to transitions between the top of the valence band and the bottom of the conduction band involves O 2p valence states and C, O 2p conduction states, with the carboxyl group contributing significantly to the origin of the energy band gap. The calculated optical absorption is highly dependent on the polarization of the incident radiation due to the spatial arrangement of the dipolar glycine molecules; in the case of a polycrystalline sample, the first-principles calculated optical absorption is in good agreement with the measurement when a rigid energy shift is applied.

(7,9,10)Be elastic scattering and total reaction cross sections on a (12)C target

Elastic scattering angular distributions for (7)Be, (9)Be, and (10)Be isotopes on (12)C target were measured at laboratory energies of 18.8, 26.0, and 23.2 MeV, respectively. The analysis was performed in terms of optical model potentials using Woods-Saxon and double-folding form factors. Also, continuum discretized coupled-channels calculations were performed for (7)Be and (9)Be + (12)C systems to infer the role of breakup in the elastic scattering. For the (10)Be + (12)C system, bound states coupled-channels calculations were considered. Moreover, total reaction cross sections were deduced from the elastic scattering analysis and compared with published data on other weakly and tightly bound projectiles elastically scattered on the (12)C target, as a function of energy.