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At least 793 records · Page 44

The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion

We study the time behavior of the Fokker–Planck equation in Zwanzig’s rule (the backward-Ito’s rule) based on the Langevin equation of Brownian motion with an anomalous diffusion in a complex medium. The diffusion coefficient is a function in momentum space and follows a generalized fluctuation–dissipation relation. We obtain the precise time-dependent analytical solution of the Fokker–Planck equation and at long time the solution approaches to a stationary power-law distribution in nonextensive statistics. As a test, numerically we have demonstrated the accuracy and validity of the time-dependent solution. - Highlights: • The precise time-dependent solution of the Fokker–Planck equation with anomalous diffusion is found. • The anomalous diffusion satisfies a generalized fluctuation–dissipation relation. • At long time the time-dependent solution approaches to a power-law distribution in nonextensive statistics. • Numerically we have demonstrated the accuracy and validity of the time-dependent solution.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

U.S. oil dependence 2014: Is energy independence in sight?

The importance of reducing U.S. oil dependence may have changed in light of developments in the world oil market over the past two decades. Since 2005, increased domestic production and decreased oil use have cut U.S. import dependence in half. The direct costs of oil dependence to the U.S. economy are estimated under four U.S. Energy Information Administration Scenarios to 2040. The key premises of the analysis are that the primary oil market failure is the use of market power by OPEC and that U.S. economic vulnerability is a result of the quantity of oil consumed, the lack of readily available, economical substitutes and the quantity of oil imported. Monte Carlo simulations of future oil market conditions indicate that the costs of U.S. oil dependence are likely to increase in constant dollars but decrease relative to U.S. gross domestic product unless oil resources are larger than estimated by the U.S. Energy Information Administration. In conclusion, reducing oil dependence therefore remains a valuable goal for U.S. energy policy and an important co-benefit of mitigating greenhouse gas emissions.

04 OIL SHALES AND TAR SANDS↗

Pyrochlore 'dynamic spin-ice' Pr{sub 2}Sn{sub 2}O{sub 7} and monoclinic Pr{sub 2}Ti{sub 2}O{sub 7}: A comparative temperature-dependent Raman study

Here we report a temperature-dependent Raman study of the pyrochlore 'dynamic spin-ice' compound Pr{sub 2}Sn{sub 2}O{sub 7} and compare the results with its non-pyrochlore (monoclinic) counterpart Pr{sub 2}Ti{sub 2}O{sub 7}. In addition to phonon modes, we observe two bands associated with electronic Raman scattering involving crystal field transitions in Pr{sub 2}Sn{sub 2}O{sub 7} at {approx}135 and 460 cm{sup -1} which couple strongly to phonons. Anomalous temperature dependence of phonon frequencies that are observed in pyrochlore Pr{sub 2}Sn{sub 2}O{sub 7} are absent in monoclinic Pr{sub 2}Ti{sub 2}O{sub 7}. This, therefore, confirms that the strong phonon-phonon anharmonic interactions, responsible for the temperature-dependent anomalous behavior of phonons, arise due to the inherent vacant sites in the pyrochlore structure. - Abstract: The phonon-phonon anharmonic interaction which is responsible for the temperature-dependent anomalous behavior of phonons, arise due to the inherent vacant sites in the pyrochlore structure. Highlights: > Pyrochlore Pr{sub 2}Sn{sub 2}O{sub 7} and its monoclinic counterpart Pr{sub 2}Ti{sub 2}O{sub 7} are compared. > Raman spectroscopic data reveal temperature-dependent phonon anomalies. > Crystal field transitions in Pr{sub 2}Sn{sub 2}O{sub 7} couple with phonons. > Phonon anomalies are attributed to phonon-phonon anharmonic interactions. > Phonon anharmonicity in pyrochlores arise due to their inherent vacancies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Temperature-dependent structural studies of mullite-type Bi{sub 2}Fe{sub 4}O{sub 9}

We report on the temperature-dependent structural studies on the mullite-type Bi{sub 2}Fe{sub 4}O{sub 9} compound. The crystal structures were determined using both powder X-ray diffraction and single crystal neutron diffraction. The thermal expansion of the cell parameters from smallest to largest occurred in the order a<c<b; their expansion behavior was fit using either linear or nonlinear regression according to the region of choice. The anisotropic thermal expansion was monitored with respect to the expansion coefficients, anisotropy factor, and polyhedral geometry. At 900 K an abrupt change of the anisotropy factor is observed which correlates with a slope in the BiO{sub 6} polyhedral volume. At the same temperature the FeO{sub 4} tetrahedral distortion starts to increase. The temperature-dependent stereochemically activity of the Bi{sup 3+} 6s{sup 2} lone electron pair was probed by the absolute value of eccentricity parameter. This parameter shows a significant drop at around 773 K. Additionally, the average crystal size and micro-strain of the powder samples were studied. A healing of intrinsic defects is observed with respect to a decreasing micro-strain followed by crystal growth above about 900 K. The temperature-dependent infrared spectra were described in three distinct zones. Deconvolution of the absorption features between 370 cm{sup -1} and 1000 cm{sup -1} required nine fitted bands, and the decomposed Pseudo-Voigt elements were assigned to Fe-O stretching, Fe-O-Fe bending and O-Fe-O bending vibrations. The shift of the observed modes was described with respect to temperature. An effective linewidth parameter {Delta}corr was determined by autocorrelation analysis between 740 cm{sup -1} and 900 cm{sup -1} for each temperature-dependent spectrum. The break of the slope of {Delta}corr at about 773 K was interpreted as the change of some vibrational modes of the FeO{sub 4} tetrahedra. The intrinsic effects observed around 773 K are responsible for extrinsic parameter changes found around 900 K. - Graphical abstract: Temperature-dependent stereochemical activity (eccentricity |{Phi}{sub i}|) of the Bi{sup 3+} 6s{sup 2} lone electron pair directing in the non-bonded region of the Bi-O coordination in the Bi{sub 2}Fe{sub 4}O{sub 9} iron framework (given as polyhedra). Highlights: Black-Right-Pointing-Pointer Complex expansion-contraction mechanism explains anisotropic thermal expansion. Black-Right-Pointing-Pointer Bi 6s{sup 2} lone electron pair sphericity influences analyses by FTIR autocorrelation. Black-Right-Pointing-Pointer Intrinsic effects at 773 K are responsible for extrinsic parameter changes at 900 K.

36 MATERIALS SCIENCE↗

Resiliency-based restoration optimization for dependent network systems against cascading failures

Due to the increasing importance of large-scale and complex network systems and the potential for massive cascading failures in these real-world systems, modeling of system resiliency and optimization of restoration strategies to mitigate system performance loss caused by diverse disruptions is of significant interest among researchers and practitioners. Although society has experienced many incidents that demonstrate the influence of cascading failures aggravated by dependencies inside network systems, existing resiliency-based restoration optimization research rarely if ever jointly considers the impact of system dependencies on cascading failures. In this paper, different restoration prioritization strategies are applied to network systems subject to cascading failures that take into account system dependencies. By conducting case studies on synthetic networks and the U.S. airport network system, the effects of restoration strategies are evaluated using a system resiliency metric and two system performance measurements. Furthermore, the influence of system dependency characteristics and the interplay between them and restoration strategies on system resiliency regarding cascading failures are also investigated. This work demonstrates the distinct effects of restoration prioritization actions against cascading failures to mitigate the performance loss in network systems with different properties. It also provides insights about restoration improvement by considering dependency impacts to effectively reduce the intensity and extent of cascading failures.

42 ENGINEERING↗

Simvastatin induces apoptosis by a Rho-dependent mechanism in cultured cardiac fibroblasts and myofibroblasts

Several clinical trials have shown the beneficial effects of statins in the prevention of coronary heart disease. Additionally, statins promote apoptosis in vascular smooth muscle cells, in renal tubular epithelial cells and also in a variety of cell lines; yet, the effects of statins on cardiac fibroblast and myofibroblast, primarily responsible for cardiac tissue healing are almost unknown. Here, we investigated the effects of simvastatin on cardiac fibroblast and myofibroblast viability and studied the molecular cell death mechanism triggered by simvastatin in both cell types. Methods: Rat neonatal cardiac fibroblasts and myofibroblasts were treated with simvastatin (0.1-10 {mu}M) up to 72 h. Cell viability and apoptosis were evaluated by trypan blue exclusion method and by flow cytometry, respectively. Caspase-3 activation and Rho protein levels and activity were also determined by Western blot and pull-down assay, respectively. Results: Simvastatin induces caspase-dependent apoptosis of cardiac fibroblasts and myofibroblasts in a concentration- and time-dependent manner, with greater effects on fibroblasts than myofibroblasts. These effects were prevented by mevalonate, farnesylpyrophosphate and geranylgeranylpyrophosphate, but not squalene. These last results suggest that apoptosis was dependent on small GTPases of the Rho family rather than Ras. Conclusion: Simvastatin triggered apoptosis of cardiac fibroblasts and myofibroblasts by a mechanism independent of cholesterol synthesis, but dependent of isoprenilation of Rho protein. Additionally, cardiac fibroblasts were more susceptible to simvastatin-induced apoptosis than cardiac myofibroblasts. Thus simvastatin could avoid adverse cardiac remodeling leading to a less fibrotic repair of the damaged tissues. - Research Highlights: > Simvastatin decreases CF and CMF viability independent of cholesterol synthesis. > Simvastatin induces CF and CMF apoptosis in a caspase-dependent manner being CMF more resistant than CF. > CMF has higher expression and active RhoA protein levels.

60 APPLIED LIFE SCIENCES↗

A multiconfigurational time-dependent Hartree-Fock method for excited electronic states. I. General formalism and application to open-shell states

The solution of the time-dependent Schroedinger equation for systems of interacting electrons is generally a prohibitive task, for which approximate methods are necessary. Popular approaches, such as the time-dependent Hartree-Fock (TDHF) approximation and time-dependent density functional theory (TDDFT), are essentially single-configurational schemes. TDHF is by construction incapable of fully accounting for the excited character of the electronic states involved in many physical processes of interest; TDDFT, although exact in principle, is limited by the currently available exchange-correlation functionals. On the other hand, multiconfigurational methods, such as the multiconfigurational time-dependent Hartree-Fock (MCTDHF) approach, provide an accurate description of the excited states and can be systematically improved. However, the computational cost becomes prohibitive as the number of degrees of freedom increases, and thus, at present, the MCTDHF method is only practical for few-electron systems. In this work, we propose an alternative approach which effectively establishes a compromise between efficiency and accuracy, by retaining the smallest possible number of configurations that catches the essential features of the electronic wavefunction. Based on a time-dependent variational principle, we derive the MCTDHF working equation for a multiconfigurational expansion with fixed coefficients and specialise to the case of general open-shell states, which are relevant for many physical processes of interest.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Size dependence of magnetization switching and its dispersion of Co/Pt nanodots under the assistance of radio frequency fields

We have studied the dot size dependence of microwave assisted magnetization switching (MAS) on perpendicular magnetic Co/Pt multilayer dot array. The significant microwave assistance effect has been observed over the entire dot size D ranging from 50 nm to 330 nm examined in the present study. The MAS behavior, however, critically depends on D. The excitation frequency dependence of the switching field is well consistent with the spin wave theory, indicating that the magnetization precession in MAS is in accordance with the well defined eigenmodes depending on the dot diameter. The lowest order spin wave is only excited for D ≤ 100 nm, and then the MAS effect is well consistent with that of the single macrospin prediction. On the other hand, higher order spin waves are excited for D > 100 nm, giving rise to the significant enhancement of the MAS effect. The dispersion of MAS effect also depends on D and is significantly reduced for the region of D > 100 nm. This significant reduction of the dispersion is attributed to the essential feature of the MAS effect which is insensitive to the local fluctuation of anisotropy field, such as defect, damaged layer, and so on.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

The effect of concentration- and temperature-dependent dielectric constant on the activity coefficient of NaCl electrolyte solutions

Our implicit-solvent model for the estimation of the excess chemical potential (or, equivalently, the activity coefficient) of electrolytes is based on using a dielectric constant that depends on the thermodynamic state, namely, the temperature and concentration of the electrolyte, ε(c, T). As a consequence, the excess chemical potential is split into two terms corresponding to ion-ion (II) and ion-water (IW) interactions. The II term is obtained from computer simulation using the Primitive Model of electrolytes, while the IW term is estimated from the Born treatment. In our previous work [J. Vincze, M. Valiskó, and D. Boda, “The nonmonotonic concentration dependence of the mean activity coefficient of electrolytes is a result of a balance between solvation and ion-ion correlations,” J. Chem. Phys. 133, 154507 (2010)], we showed that the nonmonotonic concentration dependence of the activity coefficient can be reproduced qualitatively with this II+IW model without using any adjustable parameter. The Pauling radii were used in the calculation of the II term, while experimental solvation free energies were used in the calculation of the IW term. In this work, we analyze the effect of the parameters (dielectric constant, ionic radii, solvation free energy) on the concentration and temperature dependence of the mean activity coefficient of NaCl. We conclude that the II+IW model can explain the experimental behavior using a concentration-dependent dielectric constant and that we do not need the artificial concept of “solvated ionic radius” assumed by earlier studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polarization dependent asymmetric magneto-resistance features in nanocrystalline diamond films

Polar angle-dependence of magneto-resistance (AMR) in heavily nitrogen-incorporated ultra-nanocrystalline diamond (UNCD) films is recorded by applying high magnetic fields, which shows strong anisotropic features at low temperatures. The temperature-dependence of MR and AMR can reveal transport in the weak-localization regime, which is explained by using a superlattice model for arbitrary values of disorder and angles. While a propagative Fermi surface model explains the negative MR features for low degree of disorder the azimuthal angle-dependent MR shows field dependent anisotropy due to the aligned conducting channels on the layers normal to film growth direction. The analysis of MR and AMR can extract the temperature dependence of dephasing time with respect to the elastic scattering time which not only establishes quasi-two dimensional features in this system but also suggests a potential application in monitoring the performance of UNCD based quantum devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Temperature dependence of microwave oscillations in magnetic tunnel junctions with a perpendicularly magnetized free layer

We experimentally study the temperature dependence of the spin-transfer-torque-induced microwave oscillations in MgO-based magnetic tunnel junction nanopillars with a perpendicularly magnetized free layer. We demonstrate that the oscillation frequency increases rapidly with decreasing temperature, which is mainly ascribed to the temperature dependence of both the saturation magnetization and the perpendicular magnetic anisotropy. We also find that a strong temperature dependence of the output power while a nonmonotonic temperature dependence of spectral linewidth are maintained for a constant dc bias in measured temperature range. Possible mechanisms leading to the different dependences of oscillation frequency, output power, and linewidth are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Thickness dependent structural, magnetic and magneto-transport properties of epitaxial Nd{sub 0.50}Sr{sub 0.50}MnO{sub 3} thin films

We report the thickness-dependent structural, magnetic and magneto-transport properties in epitaxial Nd{sub 0.50}Sr{sub 0.50}MnO{sub 3} thin films (10 to 300nm) prepared by DC magnetron sputtering technique on single crystalline (001) oriented substrate LaAlO{sub 3}. X-ray diffraction pattern reveals the epitaxial growth of all the films and the out-of-plane lattice parameter of films were found to increase with thickness. As thickness of the film increases the paramagnetic insulator (PMI) to ferromagnetic metal (FMM) transition temperature (T{sub C}), charge ordered transition temperature (T{sub CO}) and magnetic moment were found to increase with a strong bifurcation in ZFC-FC magnetization. The asymmetry in the coercivity seen in field dependent magnetization loops (M-H loops) suggests the presence of exchange bias (EB) effect. While temperature dependent resistivity of films show the semiconducting nature for thickness 10-200nm in temperature range from 5-300K, the film of thickness 300nm shows the insulator to metal transition with transition temperature (T{sub IM}) at 175K. Temperature dependent low field magnetoresistance (LFMR) measured at 4kOe found to decrease with thickness and for high field magnetoresistance (HFMR) at 40kOe and 60kOe also show similar dependence and a crossover at intermediate temperature range in the magnitude of MR between 10nm and 200nm films at constant field. Colossal increase in magnetoresistance observed for 10nm film at low temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

THE INFLUENCE OF PRESSURE-DEPENDENT VISCOSITY ON THE THERMAL EVOLUTION OF SUPER-EARTHS

We study the thermal evolution of super-Earths with a one-dimensional (1D) parameterized convection model that has been adopted to account for a strong pressure dependence of the viscosity. A comparison with a 2D spherical convection model shows that the derived parameterization satisfactorily represents the main characteristics of the thermal evolution of massive rocky planets. We find that the pressure dependence of the viscosity strongly influences the thermal evolution of super-Earths-resulting in a highly sluggish convection regime in the lower mantles of those planets. Depending on the effective activation volume and for cooler initial conditions, we observe with growing planetary mass even the formation of a conductive lid above the core-mantle boundary (CMB), a so-called CMB-lid. For initially molten planets our results suggest no CMB-lids but instead a hot lower mantle and core as well as sluggish lower mantle convection. This implies that the initial interior temperatures, especially in the lower mantle, become crucial for the thermal evolution-the thermostat effect suggested to regulate the interior temperatures in terrestrial planets does not work for massive planets if the viscosity is strongly pressure dependent. The sluggish convection and the potential formation of the CMB-lid reduce the convective vigor throughout the mantle, thereby affecting convective stresses, lithospheric thicknesses, and heat fluxes. The pressure dependence of the viscosity may therefore also strongly affect the propensity of plate tectonics, volcanic activity, and the generation of a magnetic field of super-Earths.

79 ASTRONOMY AND ASTROPHYSICS↗

Temperature dependences of YBa{sub 2}Cu{sub 3}O{sub x} and La{sub 2-x}Sr{sub x}CuO{sub 4} resistivity in terms of negative-U centers model.

The temperature dependence of the normal-phase resistivity {rho}(T) of YBa{sub 2}Cu{sub 3}O{sub x} (YBCO) and La{sub 2-x}Sr{sub x}CuO{sub 4} (LSCO) is analyzed by using the Boltzmann equation for holes in the {tau}-approximation, in which the dependence of the relaxation time on energy and temperature {tau}({epsilon}, T) is due to acoustic phonons. The temperature dependence of the chemical potential {mu}(T) and effective carrier mass m* {approx} 10-100 free electron masses, obtained by fitting to the temperature dependence of the Hall coefficient in terms of the negative-U centers model, are used to calculate {rho}(T). The results obtained are compared with experimental data. It is shown that they are consistent over a wide range of doping levels x and coincide in absolute magnitude, {rho} {approx} 10 - 4-10 - 3 {Omega} cm. In addition, the slope ratio of the dependence of the normal-phase {rho}(T) on the size of the x-ray coherent-scattering region and on the oxygen content is calculated for a set of epitaxial YBa{sub 2}Cu{sub 3}O{sub x} films.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Constraints on cosmological birefringence energy dependence from CMB polarization data

We study the possibility of constraining the energy dependence of cosmological birefringence by using CMB polarization data. We consider four possible behaviors, characteristic of different theoretical scenarios: energy-independent birefringence motivated by Chern-Simons interactions of the electromagnetic field, linear energy dependence motivated by a 'Weyl' interaction of the electromagnetic field, quadratic energy dependence, motivated by quantum gravity modifications of low-energy electrodynamics, and inverse quadratic dependence, motivated by Faraday rotation generated by primordial magnetic fields. We constrain the parameters associated to each kind of dependence and use our results to give constraints on the models mentioned. We forecast the sensitivity that Planck data will be able to achieve in this respect.

79 ASTRONOMY AND ASTROPHYSICS↗

Polarization-dependent DANES study on vertically-aligned ZnO nanorods

The local structural and local density of states of vertically-aligned ZnO nanorods were examined by using a polarization-dependent diffraction anomalous near edge structure (DANES) measurements from c-oriented ZnO nanorods at the Zn K edge with the incident x-ray electric field parallel and perpendicular to the x-ray momentum transfer direction. Orientation-dependent local structures determined by DANES were comparable with polarization-dependent EXAFS results. Unlike other techniques, polarization-dependent DANES can uniquely describe the orientation-dependent local structural properties and the local density of states of a selected element in selected-phased crystals of compounds or mixed-phased structures.

DANES↗

CO ICE PHOTODESORPTION: A WAVELENGTH-DEPENDENT STUDY

UV-induced photodesorption of ice is a non-thermal evaporation process that can explain the presence of cold molecular gas in a range of interstellar regions. Information on the average UV photodesorption yield of astrophysically important ices exists for broadband UV lamp experiments. UV fields around low-mass pre-main-sequence stars, around shocks and in many other astrophysical environments are however often dominated by discrete atomic and molecular emission lines. It is therefore crucial to consider the wavelength dependence of photodesorption yields and mechanisms. In this work, for the first time, the wavelength-dependent photodesorption of pure CO ice is explored between 90 and 170 nm. The experiments are performed under ultra high vacuum conditions using tunable synchrotron radiation. Ice photodesorption is simultaneously probed by infrared absorption spectroscopy in reflection mode of the ice and by quadrupole mass spectrometry of the gas phase. The experimental results for CO reveal a strong wavelength dependence directly linked to the vibronic transition strengths of CO ice, implying that photodesorption is induced by electronic transition (DIET). The observed dependence on the ice absorption spectra implies relatively low photodesorption yields at 121.6 nm (Ly{alpha}), where CO barely absorbs, compared to the high yields found at wavelengths coinciding with transitions into the first electronic state of CO (A{sup 1}{Pi} at 150 nm); the CO photodesorption rates depend strongly on the UV profiles encountered in different star formation environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

The spatial scale dependence of diazotrophic and bacterial community assembly in paddy soil

Aim: The factors driving microbial community β-diversity (variation in composition) at different spatial scales yield fundamental insights into the mechanisms that maintain ecosystem biodiversity, which as yet are uncertain. In this work, we explore whether spatial scale-dependent patterns of β-diversity vary between microbial functional groups and bacterial taxa (i.e., diazotrophic and bacterial communities) across local to regional scales (from metres to hundreds of kilometres). Location: Eastern China. Time period: October and November 2015. Major taxa studied: Diazotrophic and bacterial communities. Methods: We use two complementary statistical tools to unveil biotic mechanisms (i.e., species association) underlying variation in β-diversity of diazotrophic and bacterial communities. We examined distance–decay slopes of both communities at the local (1–113 m), meso- (3.4–39 km) and regional (103–668 km) scales. We used an environmentally constrained checkerboard score and topological features of association networks as indices of species association. We then calculated contributions of species association, abiotic factors and geographical distance to explain community β-diversity. The scale-dependent distance–decay relationships were also examined in ubiquitous (high occupancy across samples) and endemic communities of diazotrophs and bacteria. Results: Diazotrophs displayed steeper distance–decay slopes than bacteria, suggesting that the β-diversity of diazotrophic communities was more variable. The distance–decay slopes were dependent on spatial scales in both communities, owing to different contributions of geographical distance, abiotic factors and species association at three spatial scales. Intriguingly, species association was greater and contributed more to community β-diversity than other forces at the local scale, implying that species association could greatly alter community structures. Main conclusions: Drivers of diazotrophic and bacterial community β-diversity depended on spatial scales, resulting in different distance–decay patterns. Moreover, this was the first study to use two methods to demonstrate that species association played important, but as yet unrecognized, roles in driving spatial scale-dependent β-diversity.

54 ENVIRONMENTAL SCIENCES↗