Quasi-Static Analysis of LaRC THUNDER Actuators

NASA Technical Reports Server (NTRS)

Campbell, Joel F.

2007-01-01

An analytic approach is developed to predict the shape and displacement with voltage in the quasi-static limit of LaRC Thunder Actuators. The problem is treated with classical lamination theory and Von Karman non-linear analysis. In the case of classical lamination theory exact analytic solutions are found. It is shown that classical lamination theory is insufficient to describe the physical situation for large actuators but is sufficient for very small actuators. Numerical results are presented for the non-linear analysis and compared with experimental measurements. Snap-through behavior, bifurcation, and stability are presented and discussed.

Flexural resonance mechanism of thermal transport across graphene-SiO2 interfaces

NASA Astrophysics Data System (ADS)

Ong, Zhun-Yong; Qiu, Bo; Xu, Shanglong; Ruan, Xiulin; Pop, Eric

2018-03-01

Understanding the microscopic mechanism of heat dissipation at the dimensionally mismatched interface between a two-dimensional (2D) crystal and its substrate is crucial for the thermal management of devices based on 2D materials. Here, we study the lattice contribution to thermal (Kapitza) transport at graphene-SiO2 interfaces using molecular dynamics (MD) simulations and non-equilibrium Green's functions (NEGF). We find that 78 percent of the Kapitza conductance is due to sub-20 THz flexural acoustic modes, and that a resonance mechanism dominates the interfacial phonon transport. MD and NEGF estimate the classical Kapitza conductance to be hK ≈ 10 to 16 MW K-1 m-2 at 300 K, respectively, consistent with existing experimental observations. Taking into account quantum mechanical corrections, this value is approximately 28% lower at 300 K. Our calculations also suggest that hK scales as T2 at low temperatures (T < 100 K) due to the linear frequency dependence of phonon transmission across the graphene-SiO2 interface at low frequencies. Our study sheds light on the role of flexural acoustic phonons in heat dissipation from graphene to its substrate.

An O({radical}nL) primal-dual affine scaling algorithm for linear programming

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Siming

1994-12-31

We present a new primal-dual affine scaling algorithm for linear programming. The search direction of the algorithm is a combination of classical affine scaling direction of Dikin and a recent new affine scaling direction of Jansen, Roos and Terlaky. The algorithm has an iteration complexity of O({radical}nL), comparing to O(nL) complexity of Jansen, Roos and Terlaky.

Non-linear vibrations of sandwich viscoelastic shells

NASA Astrophysics Data System (ADS)

Benchouaf, Lahcen; Boutyour, El Hassan; Daya, El Mostafa; Potier-Ferry, Michel

2018-04-01

This paper deals with the non-linear vibration of sandwich viscoelastic shell structures. Coupling a harmonic balance method with the Galerkin's procedure, one obtains an amplitude equation depending on two complex coefficients. The latter are determined by solving a classical eigenvalue problem and two linear ones. This permits to get the non-linear frequency and the non-linear loss factor as functions of the displacement amplitude. To validate our approach, these relationships are illustrated in the case of a circular sandwich ring.

Symmetry-preserving perturbations of the Bateman Lagrangian and dissipative systems

NASA Astrophysics Data System (ADS)

Campoamor-Stursberg, Rutwig

2017-03-01

Perturbations of the classical Bateman Lagrangian preserving a certain subalgebra of Noether symmetries are studied, and conservative perturbations are characterized by the Lie algebra sl(2, ℝ) ⊕ so(2). Non-conservative albeit integrable perturbations are determined by the simple Lie algebra sl(2,ℝ), showing further the relation of the corresponding non-linear systems with the notion of generalized Ermakov systems.

Symmetry-preserving perturbations of the Bateman Lagrangian and dissipative systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campoamor-Stursberg, Rutwig, E-mail: rutwig@ucm.es

Perturbations of the classical Bateman Lagrangian preserving a certain subalgebra of Noether symmetries are studied, and conservative perturbations are characterized by the Lie algebra sl(2, ℝ) ⊕ so(2). Non-conservative albeit integrable perturbations are determined by the simple Lie algebra sl(2,ℝ), showing further the relation of the corresponding non-linear systems with the notion of generalized Ermakov systems.

Linear Quantum Systems: Non-Classical States and Robust Stability

DTIC Science & Technology

2016-06-29

has a history going back some 50 years, to the birth of modern control theory with Kalman’s foundational work on filtering and LQG optimal control ...information   if it does not display a currently valid OMB control number. PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ORGANIZATION. 1. REPORT DATE (DD...analysis and control of quantum linear systems and their interactions with non-classical quantum fields by developing control theoretic concepts exploiting

Cumulants, free cumulants and half-shuffles

PubMed Central

Ebrahimi-Fard, Kurusch; Patras, Frédéric

2015-01-01

Free cumulants were introduced as the proper analogue of classical cumulants in the theory of free probability. There is a mix of similarities and differences, when one considers the two families of cumulants. Whereas the combinatorics of classical cumulants is well expressed in terms of set partitions, that of free cumulants is described and often introduced in terms of non-crossing set partitions. The formal series approach to classical and free cumulants also largely differs. The purpose of this study is to put forward a different approach to these phenomena. Namely, we show that cumulants, whether classical or free, can be understood in terms of the algebra and combinatorics underlying commutative as well as non-commutative (half-)shuffles and (half-) unshuffles. As a corollary, cumulants and free cumulants can be characterized through linear fixed point equations. We study the exponential solutions of these linear fixed point equations, which display well the commutative, respectively non-commutative, character of classical and free cumulants. PMID:27547078

Asymptotic Linear Spectral Statistics for Spiked Hermitian Random Matrices

NASA Astrophysics Data System (ADS)

Passemier, Damien; McKay, Matthew R.; Chen, Yang

2015-07-01

Using the Coulomb Fluid method, this paper derives central limit theorems (CLTs) for linear spectral statistics of three "spiked" Hermitian random matrix ensembles. These include Johnstone's spiked model (i.e., central Wishart with spiked correlation), non-central Wishart with rank-one non-centrality, and a related class of non-central matrices. For a generic linear statistic, we derive simple and explicit CLT expressions as the matrix dimensions grow large. For all three ensembles under consideration, we find that the primary effect of the spike is to introduce an correction term to the asymptotic mean of the linear spectral statistic, which we characterize with simple formulas. The utility of our proposed framework is demonstrated through application to three different linear statistics problems: the classical likelihood ratio test for a population covariance, the capacity analysis of multi-antenna wireless communication systems with a line-of-sight transmission path, and a classical multiple sample significance testing problem.

Relation of the external mechanical stress to the properties of piezoelectric materials for energy harvesting

NASA Astrophysics Data System (ADS)

Jeong, Soon-Jong; Kim, Min-Soo; Lee, Dae-Su; Song, Jae-Sung; Cho, Kyung-Ho

2013-12-01

We investigated the piezoelectric properties and the generation of voltage and power under the mechanical compressive loads for three types of piezoelectric ceramics 0.2Pb(Mg1/3Nb2/3)O3-0.8Pb(Zr0.475Ti0.525)O3 (soft-PZT), 0.1Pb(Mg1/3Sb2/3)O3- 0.9Pb(Zr0.475Ti0.525)O3 (hard-PZT) and [0.675Pb(Mg1/3Nb2/3)O3-0.35PbTiO3]+5 wt% BaTiO3 (textured-PMNT). The piezoelectric d 33 coefficients of all specimens increased with increasing compressive load. The generated voltage and power showed a linear relation and square relation to the applied stress, respectively. These results were larger than those calculated using the simple piezoelectric equation due to the non-linear characteristics of the ceramics, so they were evaluated with a simple model based on a non-linear relation.

Non-classical and potential symmetry analysis of Richard's equation for moisture flow in soil

NASA Astrophysics Data System (ADS)

Wiltshire, Ron; El-Kafri, Manal

2004-01-01

This paper focuses upon the derivation of the non-classical symmetries of Bluman and Cole as they apply to Richard's equation for water flow in an unsaturated uniform soil. It is shown that the determining equations for the non-classical case lead to four highly non-linear equations which have been solved in five particular cases. In each case the corresponding similarity ansatz has been derived and Richard's equation is reduced to an ordinary differential equation. Explicit solutions are produced when possible. Richard's equation is also expressed as a potential system and in reviewing the classical Lie solutions a new symmetry is derived together with its similarity ansatz. Determining equations are then produced for the potential system using the non-classical algorithm. This results in an under-determined set of equations and an example symmetry that reveals a missing classical case is presented. An example of a classical and a non-classical symmetry reduction applied to the infiltration of moisture in soil is presented. The condition for surface invariance is used to demonstrate the equivalence of a classical Lie and a potential symmetry.

Electrophoresis in strong electric fields.

PubMed

Barany, Sandor

2009-01-01

Two kinds of non-linear electrophoresis (ef) that can be detected in strong electric fields (several hundred V/cm) are considered. The first ("classical" non-linear ef) is due to the interaction of the outer field with field-induced ionic charges in the electric double layer (EDL) under conditions, when field-induced variations of electrolyte concentration remain to be small comparatively to its equilibrium value. According to the Shilov theory, the non-linear component of the electrophoretic velocity for dielectric particles is proportional to the cubic power of the applied field strength (cubic electrophoresis) and to the second power of the particles radius; it is independent of the zeta-potential but is determined by the surface conductivity of particles. The second one, the so-called "superfast electrophoresis" is connected with the interaction of a strong outer field with a secondary diffuse layer of counterions (space charge) that is induced outside the primary (classical) diffuse EDL by the external field itself because of concentration polarization. The Dukhin-Mishchuk theory of "superfast electrophoresis" predicts quadratic dependence of the electrophoretic velocity of unipolar (ionically or electronically) conducting particles on the external field gradient and linear dependence on the particle's size in strong electric fields. These are in sharp contrast to the laws of classical electrophoresis (no dependence of V(ef) on the particle's size and linear dependence on the electric field gradient). A new method to measure the ef velocity of particles in strong electric fields is developed that is based on separation of the effects of sedimentation and electrophoresis using videoimaging and a new flowcell and use of short electric pulses. To test the "classical" non-linear electrophoresis, we have measured the ef velocity of non-conducting polystyrene, aluminium-oxide and (semiconductor) graphite particles as well as Saccharomice cerevisiae yeast cells as a function of the electric field strength, particle size, electrolyte concentration and the adsorbed polymer amount. It has been shown that the electrophoretic velocity of the particles/cells increases with field strength linearly up to about 100 and 200 V/cm (for cells) without and with adsorbed polymers both in pure water and in electrolyte solutions. In line with the theoretical predictions, in stronger fields substantial non-linear effects were recorded (V(ef)~E(3)). The ef velocity of unipolar ion-type conducting (ion-exchanger particles and fibres), electron-type conducting (magnesium and Mg/Al alloy) and semiconductor particles (graphite, activated carbon, pyrite, molybdenite) increases significantly with the electric field (V(ef)~E(2)) and the particle's size but is almost independent of the ionic strength. These trends are inconsistent with Smoluchowski's equation for dielectric particles, but are consistent with the Dukhin-Mishchuk theory of superfast electrophoresis.

A squeezed light source operated under high vacuum

PubMed Central

Wade, Andrew R.; Mansell, Georgia L.; Chua, Sheon S. Y.; Ward, Robert L.; Slagmolen, Bram J. J.; Shaddock, Daniel A.; McClelland, David E.

2015-01-01

Non-classical squeezed states of light are becoming increasingly important to a range of metrology and other quantum optics applications in cryptography, quantum computation and biophysics. Applications such as improving the sensitivity of advanced gravitational wave detectors and the development of space-based metrology and quantum networks will require robust deployable vacuum-compatible sources. To date non-linear photonics devices operated under high vacuum have been simple single pass systems, testing harmonic generation and the production of classically correlated photon pairs for space-based applications. Here we demonstrate the production under high-vacuum conditions of non-classical squeezed light with an observed 8.6 dB of quantum noise reduction down to 10 Hz. Demonstration of a resonant non-linear optical device, for the generation of squeezed light under vacuum, paves the way to fully exploit the advantages of in-vacuum operations, adapting this technology for deployment into new extreme environments. PMID:26657616

A squeezed light source operated under high vacuum

NASA Astrophysics Data System (ADS)

Wade, Andrew R.; Mansell, Georgia L.; Chua, Sheon S. Y.; Ward, Robert L.; Slagmolen, Bram J. J.; Shaddock, Daniel A.; McClelland, David E.

2015-12-01

Non-classical squeezed states of light are becoming increasingly important to a range of metrology and other quantum optics applications in cryptography, quantum computation and biophysics. Applications such as improving the sensitivity of advanced gravitational wave detectors and the development of space-based metrology and quantum networks will require robust deployable vacuum-compatible sources. To date non-linear photonics devices operated under high vacuum have been simple single pass systems, testing harmonic generation and the production of classically correlated photon pairs for space-based applications. Here we demonstrate the production under high-vacuum conditions of non-classical squeezed light with an observed 8.6 dB of quantum noise reduction down to 10 Hz. Demonstration of a resonant non-linear optical device, for the generation of squeezed light under vacuum, paves the way to fully exploit the advantages of in-vacuum operations, adapting this technology for deployment into new extreme environments.

Renormalizability of the gradient flow in the 2D O(N) non-linear sigma model

NASA Astrophysics Data System (ADS)

Makino, Hiroki; Suzuki, Hiroshi

2015-03-01

It is known that the gauge field and its composite operators evolved by the Yang-Mills gradient flow are ultraviolet (UV) finite without any multiplicative wave function renormalization. In this paper, we prove that the gradient flow in the 2D O(N) non-linear sigma model possesses a similar property: The flowed N-vector field and its composite operators are UV finite without multiplicative wave function renormalization. Our proof in all orders of perturbation theory uses a (2+1)-dimensional field theoretical representation of the gradient flow, which possesses local gauge invariance without gauge field. As an application of the UV finiteness of the gradient flow, we construct the energy-momentum tensor in the lattice formulation of the O(N) non-linear sigma model that automatically restores the correct normalization and the conservation law in the continuum limit.

Elastic properties and optical absorption studies of mixed alkali borogermanate glasses

NASA Astrophysics Data System (ADS)

Taqiullah, S. M.; Ahmmad, Shaik Kareem; Samee, M. A.; Rahman, Syed

2018-05-01

First time the mixed alkali effect (MAE) has been investigated in the glass system xNa2O-(30-x)Li2O-40B2O3- 30GeO2 (0≤x≤30 mol%) through density and optical absorption studies. The present glasses were prepared by melt quench technique. The density of the present glasses varies non-linearly exhibiting mixed alkali effect. Using the density data, the elastic moduli namely Young's modulus, bulk and shear modulus show strong linear dependence as a function of compositional parameter. From the absorption edge studies, the values of optical band gap energies for all transitions have been evaluated. It was established that the type of electronic transition in the present glass system is indirect allowed. The indirect optical band gap exhibit non-linear behavior with compositional parameter showing the mixed alkali effect.

Mesoscopic bar magnet based on ε-Fe2O3 hard ferrite.

PubMed

Ohkoshi, Shin-Ichi; Namai, Asuka; Yamaoka, Takehiro; Yoshikiyo, Marie; Imoto, Kenta; Nasu, Tomomichi; Anan, Shizuka; Umeta, Yoshikazu; Nakagawa, Kosuke; Tokoro, Hiroko

2016-06-07

Ferrite magnets have a long history. They are used in motors, magnetic fluids, drug delivery systems, etc. Herein we report a mesoscopic ferrite bar magnet based on rod-shaped ε-Fe2O3 with a large coercive field (>25 kOe). The ε-Fe2O3-based bar magnet is a single crystal with a single magnetic domain along the longitudinal direction. A wide frequency range spectroscopic study shows that the crystallographic a-axis of ε-Fe2O3, which corresponds to the longitudinal direction of the bar magnet, plays an important role in linear and non-linear magneto-optical transitions, phonon modes, and the magnon (Kittel mode). Due to its multiferroic property, a magnetic-responsive non-linear optical sheet is manufactured as an application using an ε-Fe2O3-based bar magnet, resin, and polyethylene terephthalate. Furthermore, from the viewpoint of the large coercive field property, we demonstrate that a mesoscopic ε-Fe2O3 bar magnet can be used as a magnetic force microscopy probe.

Mesoscopic bar magnet based on ɛ-Fe2O3 hard ferrite

NASA Astrophysics Data System (ADS)

Ohkoshi, Shin-Ichi; Namai, Asuka; Yamaoka, Takehiro; Yoshikiyo, Marie; Imoto, Kenta; Nasu, Tomomichi; Anan, Shizuka; Umeta, Yoshikazu; Nakagawa, Kosuke; Tokoro, Hiroko

2016-06-01

Ferrite magnets have a long history. They are used in motors, magnetic fluids, drug delivery systems, etc. Herein we report a mesoscopic ferrite bar magnet based on rod-shaped ɛ-Fe2O3 with a large coercive field (>25 kOe). The ɛ-Fe2O3-based bar magnet is a single crystal with a single magnetic domain along the longitudinal direction. A wide frequency range spectroscopic study shows that the crystallographic a-axis of ɛ-Fe2O3, which corresponds to the longitudinal direction of the bar magnet, plays an important role in linear and non-linear magneto-optical transitions, phonon modes, and the magnon (Kittel mode). Due to its multiferroic property, a magnetic-responsive non-linear optical sheet is manufactured as an application using an ɛ-Fe2O3-based bar magnet, resin, and polyethylene terephthalate. Furthermore, from the viewpoint of the large coercive field property, we demonstrate that a mesoscopic ɛ-Fe2O3 bar magnet can be used as a magnetic force microscopy probe.

On solutions of the fifth-order dispersive equations with porous medium type non-linearity

NASA Astrophysics Data System (ADS)

Kocak, Huseyin; Pinar, Zehra

2018-07-01

In this work, we focus on obtaining the exact solutions of the fifth-order semi-linear and non-linear dispersive partial differential equations, which have the second-order diffusion-like (porous-type) non-linearity. The proposed equations were not studied in the literature in the sense of the exact solutions. We reveal solutions of the proposed equations using the classical Riccati equations method. The obtained exact solutions, which can play a key role to simulate non-linear waves in the medium with dispersion and diffusion, are illustrated and discussed in details.

Large linear magnetoresistance in heavily-doped Nb:SrTiO3 epitaxial thin films

PubMed Central

Jin, Hyunwoo; Lee, Keundong; Baek, Seung-Hyub; Kim, Jin-Sang; Cheong, Byung-ki; Park, Bae Ho; Yoon, Sungwon; Suh, B. J.; Kim, Changyoung; Seo, S. S. A.; Lee, Suyoun

2016-01-01

Interaction between electrons has long been a focused topic in condensed-matter physics since it has led to the discoveries of astonishing phenomena, for example, high-Tc superconductivity and colossal magnetoresistance (CMR) in strongly-correlated materials. In the study of strongly-correlated perovskite oxides, Nb-doped SrTiO3 (Nb:SrTiO3) has been a workhorse not only as a conducting substrate, but also as a host possessing high carrier mobility. In this work, we report the observations of large linear magnetoresistance (LMR) and the metal-to-insulator transition (MIT) induced by magnetic field in heavily-doped Nb:STO (SrNb0.2Ti0.8O3) epitaxial thin films. These phenomena are associated with the interplay between the large classical MR due to high carrier mobility and the electronic localization effect due to strong spin-orbit coupling, implying that heavily Nb-doped Sr(Nb0.2Ti0.8)O3 is promising for the application in spintronic devices. PMID:27703222

A Structural Molar Volume Model for Oxide Melts Part I: Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 Melts—Binary Systems

NASA Astrophysics Data System (ADS)

Thibodeau, Eric; Gheribi, Aimen E.; Jung, In-Ho

2016-04-01

A structural molar volume model was developed to accurately reproduce the molar volume of molten oxides. As the non-linearity of molar volume is related to the change in structure of molten oxides, the silicate tetrahedral Q-species, calculated from the modified quasichemical model with an optimized thermodynamic database, were used as basic structural units in the present model. Experimental molar volume data for unary and binary melts in the Li2O-Na2O-K2O-MgO-CaO-MnO-PbO-Al2O3-SiO2 system were critically evaluated. The molar volumes of unary oxide components and binary Q-species, which are model parameters of the present structural model, were determined to accurately reproduce the experimental data across the entire binary composition in a wide range of temperatures. The non-linear behavior of molar volume and thermal expansivity of binary melt depending on SiO2 content are well reproduced by the present model.

Ventilatory control in a primitive fish: signal conditioning via non-linear O2 affinity.

PubMed

Katz, S L

1996-02-01

Gas exchange in the gills of the air-breathing fish Amia calva was modelled to determine how the gills modify fluctuations in venous P O2. These fluctuations form the physiological signal for aerial ventilation in these fish. This study was performed to examine the signal conditioning role that the gills may play in the control system that regulates P O2. The model incorporated a non-linear Hb-O2 affinity relationship. Fluctuations in venous P O2 were modelled as sinusoids, covering a range of frequencies and amplitudes. Mean venous P O2 ranged from normoxic to hypoxic values. Over a broad range of parameters the gills amplify fluctuations in venous P O2 during transit to the arterial side. It was also observed that aquatic hypoxia reduces the effectiveness of the gills in maximizing arterial P O2, while increases in venous P O2 increase the effectiveness of the gills in the face of similar blood-water P O2 gradients. Each of these performance features is a consequence of the sigmoid Hb-O2 affinity relationship.

Note: Wide-operating-range control for thermoelectric coolers.

PubMed

Peronio, P; Labanca, I; Ghioni, M; Rech, I

2017-11-01

A new algorithm for controlling the temperature of a thermoelectric cooler is proposed. Unlike a classic proportional-integral-derivative (PID) control, which computes the bias voltage from the temperature error, the proposed algorithm exploits the linear relation that exists between the cold side's temperature and the amount of heat that is removed per unit time. Since this control is based on an existing linear relation, it is insensitive to changes in the operating point that are instead crucial in classic PID control of a non-linear system.

Note: Wide-operating-range control for thermoelectric coolers

NASA Astrophysics Data System (ADS)

Peronio, P.; Labanca, I.; Ghioni, M.; Rech, I.

2017-11-01

A new algorithm for controlling the temperature of a thermoelectric cooler is proposed. Unlike a classic proportional-integral-derivative (PID) control, which computes the bias voltage from the temperature error, the proposed algorithm exploits the linear relation that exists between the cold side's temperature and the amount of heat that is removed per unit time. Since this control is based on an existing linear relation, it is insensitive to changes in the operating point that are instead crucial in classic PID control of a non-linear system.

Proton affinities of hydrated molecules

NASA Astrophysics Data System (ADS)

Valadbeigi, Younes

2016-09-01

Proton affinities (PA) of non-hydrated, M, and hydrated forms, M(H2O)1,2,3, of 20 organic molecules including alcohols, ethers, aldehydes, ketones and amines were calculated by the B3LYP/6-311++G(d,p) method. For homogeneous families, linear correlations were observed between PAs of the M(H2O)1,2,3 and the PAs of the non-hydrated molecules. Also, the absolute values of the hydration enthalpies of the protonated molecules decreased linearly with the PAs. The correlation functions predicted that for an amine with PA < 1100 kJ/mol the PA(M(H2O)) is larger than the corresponding PA, while for an amine with PA > 1100 kJ/mol the PA(M(H2O)) is smaller than the PA.

Direct Nitrous Oxide Emissions From Tropical And Sub-Tropical Agricultural Systems - A Review And Modelling Of Emission Factors.

PubMed

Albanito, Fabrizio; Lebender, Ulrike; Cornulier, Thomas; Sapkota, Tek B; Brentrup, Frank; Stirling, Clare; Hillier, Jon

2017-03-10

There has been much debate about the uncertainties associated with the estimation of direct and indirect agricultural nitrous oxide (N 2 O) emissions in developing countries and in particular from tropical regions. In this study, we report an up-to-date review of the information published in peer-review journals on direct N 2 O emissions from agricultural systems in tropical and sub-tropical regions. We statistically analyze net-N 2 O-N emissions to estimate tropic-specific annual N 2 O emission factors (N 2 O-EFs) using a Generalized Additive Mixed Model (GAMM) which allowed the effects of multiple covariates to be modelled as linear or smooth non-linear continuous functions. Overall the mean N 2 O-EF was 1.2% for the tropics and sub-tropics, thus within the uncertainty range of IPCC-EF. On a regional basis, mean N 2 O-EFs were 1.4% for Africa, 1.1%, for Asia, 0.9% for Australia and 1.3% for Central &South America. Our annual N 2 O-EFs, estimated for a range of fertiliser rates using the available data, do not support recent studies hypothesising non-linear increase N 2 O-EFs as a function of applied N. Our findings highlight that in reporting annual N 2 O emissions and estimating N 2 O-EFs, particular attention should be paid in modelling the effect of study length on response of N 2 O.

Direct Nitrous Oxide Emissions From Tropical And Sub-Tropical Agricultural Systems - A Review And Modelling Of Emission Factors

PubMed Central

Albanito, Fabrizio; Lebender, Ulrike; Cornulier, Thomas; Sapkota, Tek B.; Brentrup, Frank; Stirling, Clare; Hillier, Jon

2017-01-01

There has been much debate about the uncertainties associated with the estimation of direct and indirect agricultural nitrous oxide (N2O) emissions in developing countries and in particular from tropical regions. In this study, we report an up-to-date review of the information published in peer-review journals on direct N2O emissions from agricultural systems in tropical and sub-tropical regions. We statistically analyze net-N2O-N emissions to estimate tropic-specific annual N2O emission factors (N2O-EFs) using a Generalized Additive Mixed Model (GAMM) which allowed the effects of multiple covariates to be modelled as linear or smooth non-linear continuous functions. Overall the mean N2O-EF was 1.2% for the tropics and sub-tropics, thus within the uncertainty range of IPCC-EF. On a regional basis, mean N2O-EFs were 1.4% for Africa, 1.1%, for Asia, 0.9% for Australia and 1.3% for Central & South America. Our annual N2O-EFs, estimated for a range of fertiliser rates using the available data, do not support recent studies hypothesising non-linear increase N2O-EFs as a function of applied N. Our findings highlight that in reporting annual N2O emissions and estimating N2O-EFs, particular attention should be paid in modelling the effect of study length on response of N2O. PMID:28281637

Direct Nitrous Oxide Emissions From Tropical And Sub-Tropical Agricultural Systems - A Review And Modelling Of Emission Factors

NASA Astrophysics Data System (ADS)

Albanito, Fabrizio; Lebender, Ulrike; Cornulier, Thomas; Sapkota, Tek B.; Brentrup, Frank; Stirling, Clare; Hillier, Jon

2017-03-01

There has been much debate about the uncertainties associated with the estimation of direct and indirect agricultural nitrous oxide (N2O) emissions in developing countries and in particular from tropical regions. In this study, we report an up-to-date review of the information published in peer-review journals on direct N2O emissions from agricultural systems in tropical and sub-tropical regions. We statistically analyze net-N2O-N emissions to estimate tropic-specific annual N2O emission factors (N2O-EFs) using a Generalized Additive Mixed Model (GAMM) which allowed the effects of multiple covariates to be modelled as linear or smooth non-linear continuous functions. Overall the mean N2O-EF was 1.2% for the tropics and sub-tropics, thus within the uncertainty range of IPCC-EF. On a regional basis, mean N2O-EFs were 1.4% for Africa, 1.1%, for Asia, 0.9% for Australia and 1.3% for Central & South America. Our annual N2O-EFs, estimated for a range of fertiliser rates using the available data, do not support recent studies hypothesising non-linear increase N2O-EFs as a function of applied N. Our findings highlight that in reporting annual N2O emissions and estimating N2O-EFs, particular attention should be paid in modelling the effect of study length on response of N2O.

Nonlinear study of the parallel velocity/tearing instability using an implicit, nonlinear resistive MHD solver

NASA Astrophysics Data System (ADS)

Chacon, L.; Finn, J. M.; Knoll, D. A.

2000-10-01

Recently, a new parallel velocity instability has been found.(J. M. Finn, Phys. Plasmas), 2, 12 (1995) This mode is a tearing mode driven unstable by curvature effects and sound wave coupling in the presence of parallel velocity shear. Under such conditions, linear theory predicts that tearing instabilities will grow even in situations in which the classical tearing mode is stable. This could then be a viable seed mechanism for the neoclassical tearing mode, and hence a non-linear study is of interest. Here, the linear and non-linear stages of this instability are explored using a fully implicit, fully nonlinear 2D reduced resistive MHD code,(L. Chacon et al), ``Implicit, Jacobian-free Newton-Krylov 2D reduced resistive MHD nonlinear solver,'' submitted to J. Comput. Phys. (2000) including viscosity and particle transport effects. The nonlinear implicit time integration is performed using the Newton-Raphson iterative algorithm. Krylov iterative techniques are employed for the required algebraic matrix inversions, implemented Jacobian-free (i.e., without ever forming and storing the Jacobian matrix), and preconditioned with a ``physics-based'' preconditioner. Nonlinear results indicate that, for large total plasma beta and large parallel velocity shear, the instability results in the generation of large poloidal shear flows and large magnetic islands even in regimes when the classical tearing mode is absolutely stable. For small viscosity, the time asymptotic state can be turbulent.

Estimating PM2.5 Concentrations in Xi'an City Using a Generalized Additive Model with Multi-Source Monitoring Data

PubMed Central

Song, Yong-Ze; Yang, Hong-Lei; Peng, Jun-Huan; Song, Yi-Rong; Sun, Qian; Li, Yuan

2015-01-01

Particulate matter with an aerodynamic diameter <2.5 μm (PM2.5) represents a severe environmental problem and is of negative impact on human health. Xi'an City, with a population of 6.5 million, is among the highest concentrations of PM2.5 in China. In 2013, in total, there were 191 days in Xi’an City on which PM2.5 concentrations were greater than 100 μg/m3. Recently, a few studies have explored the potential causes of high PM2.5 concentration using remote sensing data such as the MODIS aerosol optical thickness (AOT) product. Linear regression is a commonly used method to find statistical relationships among PM2.5 concentrations and other pollutants, including CO, NO2, SO2, and O3, which can be indicative of emission sources. The relationships of these variables, however, are usually complicated and non-linear. Therefore, a generalized additive model (GAM) is used to estimate the statistical relationships between potential variables and PM2.5 concentrations. This model contains linear functions of SO2 and CO, univariate smoothing non-linear functions of NO2, O3, AOT and temperature, and bivariate smoothing non-linear functions of location and wind variables. The model can explain 69.50% of PM2.5 concentrations, with R2 = 0.691, which improves the result of a stepwise linear regression (R2 = 0.582) by 18.73%. The two most significant variables, CO concentration and AOT, represent 20.65% and 19.54% of the deviance, respectively, while the three other gas-phase concentrations, SO2, NO2, and O3 account for 10.88% of the total deviance. These results show that in Xi'an City, the traffic and other industrial emissions are the primary source of PM2.5. Temperature, location, and wind variables also non-linearly related with PM2.5. PMID:26540446

Universal exchange-driven phonon splitting

NASA Astrophysics Data System (ADS)

Deisenhofer, Joachim; Kant, Christian; Schmidt, Michael; Wang, Zhe; Mayr, Franz; Tsurkan, Vladimir; Loidl, Alois

2012-02-01

We report on a linear dependence of the phonon splitting on the non-dominant exchange coupling Jnd in the antiferromagnetic monoxides MnO, Fe0.92O, CoO and NiO, and in the highly frustrated antiferromagnetic spinels CdCr2O4, MgCr2O4 and ZnCr2O4. For the monoxides our results directly confirm the theoretical prediction of a predominantly exchange induced splitting of the zone-centre optical phonon [1,2]. We find the linear relation δφ= βJndS^2 with slope β = 3.7. This relation also holds for a very different class of systems, namely the highly frustrated chromium spinels. Our finding suggests a universal dependence of the exchange-induced phonon splitting at the antiferromagnetic transition on the non-dominant exchange coupling [3].[4pt] [1] S. Massidda et al., Phys. Rev. Lett. 82, 430 (1999).[0pt] [2] W. Luo et al., Solid State Commun. 142, 504 (2007).[0pt] [3] Ch. Kant et al., arxiv:1109.4809.

3-Oxo-2,3-dihydro-1H-inden-4-yl acetate

PubMed Central

Lin, Hong-Yi; Chang, Che-Wei; Tsai, Hsing-Yang; Luo, Ming-Hui; Chen, Kew-Yu

2012-01-01

In the title compound, C11H10O3, the 1-indanone unit is essentially planar (r.m.s. deviation = 0.036 Å). In the crystal, mol­ecules are linked by non-classical C—H⋯O hydrogen bonds, forming a C(6) chain along [010]. PMID:23284409

Plasmon mass scale and quantum fluctuations of classical fields on a real time lattice

NASA Astrophysics Data System (ADS)

Kurkela, Aleksi; Lappi, Tuomas; Peuron, Jarkko

2018-03-01

Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Above the Debye scale the classical Yang-Mills (CYM) theory can be matched smoothly to kinetic theory. First we study the limits of the quasiparticle picture of the CYM fields by determining the plasmon mass of the system using 3 different methods. Then we argue that one needs a numerical calculation of a system of classical gauge fields and small linearized fluctuations, which correspond to quantum fluctuations, in a way that keeps the separation between the two manifest. We demonstrate and test an implementation of an algorithm with the linearized fluctuation showing that the linearization indeed works and that the Gauss's law is conserved.

Studies on the O-polysaccharide of Escherichia albertii O2 characterized by non-stoichiometric O-acetylation and non-stoichiometric side-chain l-fucosylation.

PubMed

Naumenko, Olesya I; Zheng, Han; Xiong, Yanwen; Senchenkova, Sof'ya N; Wang, Hong; Shashkov, Alexander S; Li, Qun; Wang, Jianping; Knirel, Yuriy A

2018-05-22

An O-polysaccharide was isolated from the lipopolysaccharide of Escherichia albertii O2 and studied by chemical methods and 1D and 2D 1 H and 13 C NMR spectroscopy. The following structure of the O-polysaccharide was established: . The O-polysaccharide is characterized by masked regularity owing to a non-stoichiometric O-acetylation of an l-fucose residue in the main chain and a non-stoichiometric side-chain l-fucosylation of a β-GlcNAc residue. A regular linear polysaccharide was obtained by sequential Smith degradation and alkaline O-deacetylation of the O-polysaccharide. The content of the O-antigen gene cluster of E. albertii O2 was found to be essentially consistent with the O-polysaccharide structure established. Copyright © 2018 Elsevier Ltd. All rights reserved.

Simulation of the diurnal variations of the isotope anomaly (?17O) of reactive trace gases (NOx, HOx) and implications for the ?17O of nitrate.

NASA Astrophysics Data System (ADS)

Morin, Samuel; Sander, Rolf; Savarino, Joël.

2010-05-01

The isotope anomaly of secondary atmospheric species such as nitrate (NO3-) has potential to provide useful constrains on their formation pathways. Indeed, the ?17O of their precursors (NOx, HOx etc.) differs and depends on their interactions with ozone, which is the main source of non-zero ?17O in the atmosphere. Interpreting variations of ?17O in nitrate requires an in-depth understanding of the ?17O of its precursors taking into account non-linear chemical regimes operating under various environmental settings. In addition, the role of isotope exchange reactions must be carefully accounted for. To investigate the relevance of various assessments of the isotopic signature of nitrate production pathways that have recently been proposed in the literature, an atmospheric chemistry box model (MECCA, Sander et al., 2005, ACP)) was used to explicitly compute the diurnal variations of the isotope anomaly of NOx, HOx under several conditions prevailing in the marine boundary layer. ?17O was propagated from ozone to other species (NO, NO2, OH, HO2, RO2, NO3, N2O5, HONO, HNO3, HNO4, H2O2) according to the classical mass-balance equation applied at each time step of the model (30 seconds typically). The model confirms that diurnal variations in ?17O of NOx are well predicted by the photochemical steady-state relationship introduced by Michalski et al. (2003, GRL) during the day, but that at night a different approach must be employed (e.g. « fossilization » of the ?17O of NOx as soon as the photochemical lifetime of NOx drops below ca. 5 minutes). The model also allows to evaluate the impact on ?17O of NOx and nitrate of the frequently made simplifying assumption that ?17O(HOx)=0 permil, with and without mass-independent fractionation during the H+O2-HO2 reaction. Recommendations for the modeling of ?17O of nitrate will be given, based on the extensive model work carried out. In addition, the link between diurnal variations of the ?17O of nitrate precursors and seasonal variations of the ?17O of nitrate will be explored. Perspectives include the implementation of halogen species in this assessment, and the full incorporation of the developed framework into the CAABA-MECCA box model.

Correlation analysis of the heat capacity and thermal expansion of solid mercury

NASA Astrophysics Data System (ADS)

Bodryakov, V. Yu.; Babintsev, Yu. N.

2015-06-01

A detailed analysis of the correlation between the volumetric thermal expansion coefficient o( T) and heat capacity C( T) of solid mercury has been performed. It has been shown that there is a clear correlation dependence o( C) not only in the low-temperature range, where it is linear and known as the Grüneisen law, but also up to the melting point of mercury. The dependence o( C) substantially deviates from the low-temperature linear behavior when the heat capacity reaches the classical Dulong-Petit limit of 3 R.

Quantum algorithms on Walsh transform and Hamming distance for Boolean functions

NASA Astrophysics Data System (ADS)

Xie, Zhengwei; Qiu, Daowen; Cai, Guangya

2018-06-01

Walsh spectrum or Walsh transform is an alternative description of Boolean functions. In this paper, we explore quantum algorithms to approximate the absolute value of Walsh transform W_f at a single point z0 (i.e., |W_f(z0)|) for n-variable Boolean functions with probability at least 8/π 2 using the number of O(1/|W_f(z_{0)|ɛ }) queries, promised that the accuracy is ɛ , while the best known classical algorithm requires O(2n) queries. The Hamming distance between Boolean functions is used to study the linearity testing and other important problems. We take advantage of Walsh transform to calculate the Hamming distance between two n-variable Boolean functions f and g using O(1) queries in some cases. Then, we exploit another quantum algorithm which converts computing Hamming distance between two Boolean functions to quantum amplitude estimation (i.e., approximate counting). If Ham(f,g)=t≠0, we can approximately compute Ham( f, g) with probability at least 2/3 by combining our algorithm and {Approx-Count(f,ɛ ) algorithm} using the expected number of Θ( √{N/(\\lfloor ɛ t\\rfloor +1)}+√{t(N-t)}/\\lfloor ɛ t\\rfloor +1) queries, promised that the accuracy is ɛ . Moreover, our algorithm is optimal, while the exact query complexity for the above problem is Θ(N) and the query complexity with the accuracy ɛ is O(1/ɛ 2N/(t+1)) in classical algorithm, where N=2n. Finally, we present three exact quantum query algorithms for two promise problems on Hamming distance using O(1) queries, while any classical deterministic algorithm solving the problem uses Ω(2n) queries.

On new non-modal hydrodynamic stability modes and resulting non-exponential growth rates - a Lie symmetry approach

NASA Astrophysics Data System (ADS)

Oberlack, Martin; Nold, Andreas; Sanjon, Cedric Wilfried; Wang, Yongqi; Hau, Jan

2016-11-01

Classical hydrodynamic stability theory for laminar shear flows, no matter if considering long-term stability or transient growth, is based on the normal-mode ansatz, or, in other words, on an exponential function in space (stream-wise direction) and time. Recently, it became clear that the normal mode ansatz and the resulting Orr-Sommerfeld equation is based on essentially three fundamental symmetries of the linearized Euler and Navier-Stokes equations: translation in space and time and scaling of the dependent variable. Further, Kelvin-mode of linear shear flows seemed to be an exception in this context as it admits a fourth symmetry resulting in the classical Kelvin mode which is rather different from normal-mode. However, very recently it was discovered that most of the classical canonical shear flows such as linear shear, Couette, plane and round Poiseuille, Taylor-Couette, Lamb-Ossen vortex or asymptotic suction boundary layer admit more symmetries. This, in turn, led to new problem specific non-modal ansatz functions. In contrast to the exponential growth rate in time of the modal-ansatz, the new non-modal ansatz functions usually lead to an algebraic growth or decay rate, while for the asymptotic suction boundary layer a double-exponential growth or decay is observed.

Employment of CB models for non-linear dynamic analysis

NASA Technical Reports Server (NTRS)

Klein, M. R. M.; Deloo, P.; Fournier-Sicre, A.

1990-01-01

The non-linear dynamic analysis of large structures is always very time, effort and CPU consuming. Whenever possible the reduction of the size of the mathematical model involved is of main importance to speed up the computational procedures. Such reduction can be performed for the part of the structure which perform linearly. Most of the time, the classical Guyan reduction process is used. For non-linear dynamic process where the non-linearity is present at interfaces between different structures, Craig-Bampton models can provide a very rich information, and allow easy selection of the relevant modes with respect to the phenomenon driving the non-linearity. The paper presents the employment of Craig-Bampton models combined with Newmark direct integration for solving non-linear friction problems appearing at the interface between the Hubble Space Telescope and its solar arrays during in-orbit maneuvers. Theory, implementation in the FEM code ASKA, and practical results are shown.

Robust linear discriminant models to solve financial crisis in banking sectors

NASA Astrophysics Data System (ADS)

Lim, Yai-Fung; Yahaya, Sharipah Soaad Syed; Idris, Faoziah; Ali, Hazlina; Omar, Zurni

2014-12-01

Linear discriminant analysis (LDA) is a widely-used technique in patterns classification via an equation which will minimize the probability of misclassifying cases into their respective categories. However, the performance of classical estimators in LDA highly depends on the assumptions of normality and homoscedasticity. Several robust estimators in LDA such as Minimum Covariance Determinant (MCD), S-estimators and Minimum Volume Ellipsoid (MVE) are addressed by many authors to alleviate the problem of non-robustness of the classical estimates. In this paper, we investigate on the financial crisis of the Malaysian banking institutions using robust LDA and classical LDA methods. Our objective is to distinguish the "distress" and "non-distress" banks in Malaysia by using the LDA models. Hit ratio is used to validate the accuracy predictive of LDA models. The performance of LDA is evaluated by estimating the misclassification rate via apparent error rate. The results and comparisons show that the robust estimators provide a better performance than the classical estimators for LDA.

Interacting charges and the classical electron radius

NASA Astrophysics Data System (ADS)

De Luca, Roberto; Di Mauro, Marco; Faella, Orazio; Naddeo, Adele

2018-03-01

The equation of the motion of a point charge q repelled by a fixed point-like charge Q is derived and studied. In solving this problem useful concepts in classical and relativistic kinematics, in Newtonian mechanics and in non-linear ordinary differential equations are revised. The validity of the approximations is discussed from the physical point of view. In particular the classical electron radius emerges naturally from the requirement that the initial distance is large enough for the non-relativistic approximation to be valid. The relevance of this topic for undergraduate physics teaching is pointed out.

Single-photon non-linear optics with a quantum dot in a waveguide

NASA Astrophysics Data System (ADS)

Javadi, A.; Söllner, I.; Arcari, M.; Hansen, S. Lindskov; Midolo, L.; Mahmoodian, S.; Kiršanskė, G.; Pregnolato, T.; Lee, E. H.; Song, J. D.; Stobbe, S.; Lodahl, P.

2015-10-01

Strong non-linear interactions between photons enable logic operations for both classical and quantum-information technology. Unfortunately, non-linear interactions are usually feeble and therefore all-optical logic gates tend to be inefficient. A quantum emitter deterministically coupled to a propagating mode fundamentally changes the situation, since each photon inevitably interacts with the emitter, and highly correlated many-photon states may be created. Here we show that a single quantum dot in a photonic-crystal waveguide can be used as a giant non-linearity sensitive at the single-photon level. The non-linear response is revealed from the intensity and quantum statistics of the scattered photons, and contains contributions from an entangled photon-photon bound state. The quantum non-linearity will find immediate applications for deterministic Bell-state measurements and single-photon transistors and paves the way to scalable waveguide-based photonic quantum-computing architectures.

Cascading and local-field effects in non-linear optics revisited: a quantum-field picture based on exchange of photons.

PubMed

Bennett, Kochise; Mukamel, Shaul

2014-01-28

The semi-classical theory of radiation-matter coupling misses local-field effects that may alter the pulse time-ordering and cascading that leads to the generation of new signals. These are then introduced macroscopically by solving Maxwell's equations. This procedure is convenient and intuitive but ad hoc. We show that both effects emerge naturally by including coupling to quantum modes of the radiation field that are initially in the vacuum state to second order. This approach is systematic and suggests a more general class of corrections that only arise in a QED framework. In the semi-classical theory, which only includes classical field modes, the susceptibility of a collection of N non-interacting molecules is additive and scales as N. Second-order coupling to a vacuum mode generates an effective retarded interaction that leads to cascading and local field effects both of which scale as N(2).

Time evolution of linearized gauge field fluctuations on a real-time lattice

NASA Astrophysics Data System (ADS)

Kurkela, A.; Lappi, T.; Peuron, J.

2016-12-01

Classical real-time lattice simulations play an important role in understanding non-equilibrium phenomena in gauge theories and are used in particular to model the prethermal evolution of heavy-ion collisions. Due to instabilities, small quantum fluctuations on top of the classical background may significantly affect the dynamics of the system. In this paper we argue for the need for a numerical calculation of a system of classical gauge fields and small linearized fluctuations in a way that keeps the separation between the two manifest. We derive and test an explicit algorithm to solve these equations on the lattice, maintaining gauge invariance and Gauss' law.

Modification of the acid/base properties of γ-Al2O3 by oxide additives: An ethanol TPD investigation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwak, Ja Hun; Lee, Jaekyoung; Szanyi, Janos

2016-02-26

The electronic properties of oxide-modified γ Al2O3 surfaces were investigated by using ethanol TPD. Ethanol TPD showed remarkable sensitivity toward the surface structures and electronic properties of the aluminas modified by various transition metal oxides. Maximum desorption rates for the primary product of ethanol adsorption, ethylene, were observed at 225 °C on non-modified γ-Al2O3. Desorption temperature of ethanol over a γ Al2O3 samples with different amounts of BaO linearly increased with increasing loading. On the contrary, ethanol desorption temperature on Pt modified γ-Al2O3 after calcined at 500 oC linearly decreased with increasing Pt loading. These results clearly suggested that themore » acid/base properties of the γ-Al2O3 surface can be strongly affected by ad-atoms. For confirming these arguments, we performed ethanol TPD experiments on various oxide modified γ-Al2O3 and normalized the maximum desorption temperatures based on the same number of oxide dopants. These normalized ethanol desorption temperatures linearly correlate with the electronegativity of the metal atom in the oxide. This linear relationship clearly demonstrates that the acidic properties of alumina surfaces can be systematically changed by ad-atoms.« less

Is 3D true non linear traveltime tomography reasonable ?

NASA Astrophysics Data System (ADS)

Herrero, A.; Virieux, J.

2003-04-01

The data sets requiring 3D analysis tools in the context of seismic exploration (both onshore and offshore experiments) or natural seismicity (micro seismicity surveys or post event measurements) are more and more numerous. Classical linearized tomographies and also earthquake localisation codes need an accurate 3D background velocity model. However, if the medium is complex and a priori information not available, a 1D analysis is not able to provide an adequate background velocity image. Moreover, the design of the acquisition layouts is often intrinsically 3D and renders difficult even 2D approaches, especially in natural seismicity cases. Thus, the solution relies on the use of a 3D true non linear approach, which allows to explore the model space and to identify an optimal velocity image. The problem becomes then practical and its feasibility depends on the available computing resources (memory and time). In this presentation, we show that facing a 3D traveltime tomography problem with an extensive non-linear approach combining fast travel time estimators based on level set methods and optimisation techniques such as multiscale strategy is feasible. Moreover, because management of inhomogeneous inversion parameters is more friendly in a non linear approach, we describe how to perform a jointly non-linear inversion for the seismic velocities and the sources locations.

Formally biorthogonal polynomials and a look-ahead Levinson algorithm for general Toeplitz systems

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Zha, Hongyuan

1992-01-01

Systems of linear equations with Toeplitz coefficient matrices arise in many important applications. The classical Levinson algorithm computes solutions of Toeplitz systems with only O(n(sub 2)) arithmetic operations, as compared to O(n(sub 3)) operations that are needed for solving general linear systems. However, the Levinson algorithm in its original form requires that all leading principal submatrices are nonsingular. An extension of the Levinson algorithm to general Toeplitz systems is presented. The algorithm uses look-ahead to skip over exactly singular, as well as ill-conditioned leading submatrices, and, at the same time, it still fully exploits the Toeplitz structure. In our derivation of this algorithm, we make use of the intimate connection of Toeplitz matrices with formally biorthogonal polynomials.

Closer versus Long Range Interaction Effects on the Non-Arrhenius Behavior of Quasi-Resonant O2 + N2 Collisions.

PubMed

Kurnosov, A; Cacciatore, M; Pirani, F; Laganà, A; Martí, C; Garcia, E

2017-07-13

We report in this paper an investigation on energy transfer processes from vibration to vibration and/or translation in thermal and subthermal regimes for the O 2 + N 2 system performed using quantum-classical calculations on different empirical, semiempirical, and ab initio potential energy surfaces. In particular, the paper focuses on the rationalization of the non-Arrhenius behavior (inversion of the temperature dependence) of the quasi-resonant vibration-to-vibration energy transfer transition rate coefficients at threshold. To better understand the microscopic nature of the involved processes, we pushed the calculations to the detail of the related cross sections and analyzed the impact of the medium and long-range components of the interaction on them. Furthermore, the variation with temperature of the dependence of the quasi-resonant rate coefficient on the vibrational energy gap between initial and final vibrational states and the effectiveness of quantum-classical calculations to overcome the limitations of the purely classical treatments were also investigated. These treatments, handled in an open molecular science fashion by chaining data and competencies of the various laboratories using a grid empowered molecular simulator, have allowed a rationalization of the dependence of the computed rate coefficients in terms of the distortion of the O 2 -N 2 configuration during the diatom-diatom collisions. A way of relating such distortions to a smooth and continuous progress variable, allowing a proper evolution from both long to closer range formulation of the interaction and from its entrance to exit channel (through the strong interaction region) relaxed graphical representations, is also discussed in the paper.

Numerical methods for coupled fracture problems

NASA Astrophysics Data System (ADS)

Viesca, Robert C.; Garagash, Dmitry I.

2018-04-01

We consider numerical solutions in which the linear elastic response to an opening- or sliding-mode fracture couples with one or more processes. Classic examples of such problems include traction-free cracks leading to stress singularities or cracks with cohesive-zone strength requirements leading to non-singular stress distributions. These classical problems have characteristic square-root asymptotic behavior for stress, relative displacement, or their derivatives. Prior work has shown that such asymptotics lead to a natural quadrature of the singular integrals at roots of Chebyhsev polynomials of the first, second, third, or fourth kind. We show that such quadratures lead to convenient techniques for interpolation, differentiation, and integration, with the potential for spectral accuracy. We further show that these techniques, with slight amendment, may continue to be used for non-classical problems which lack the classical asymptotic behavior. We consider solutions to example problems of both the classical and non-classical variety (e.g., fluid-driven opening-mode fracture and fault shear rupture driven by thermal weakening), with comparisons to analytical solutions or asymptotes, where available.

Non-Classical Stress Concentration Behavior in a Radically Stretched Hyperelastic Sheet Containing a Circular Hole

NASA Technical Reports Server (NTRS)

Ko, William L.; Lung, Shun-Fat

2017-01-01

Non-classical stress concentration behavior in a stretched circular hyperelastic sheet (outer radius b = 10 in., thickness t = 0.0625 in.) containing a central hole (radius a = 0.5 in.) was analyzed. The hyperelastic sheet was subjected to different levels of remote radial stretchings. Nastran large-strain large-deformation analysis and the Blatz-Ko large deformation theory were used to calculate the equal-biaxial stress concentration factors K. The results show that the values of K calculated from the Blatz-Ko theory and Nastran are extremely close. Unlike the classical linear elasticity theory, which gives the constant K = 2 for the equal-biaxial stress field, the hyperelastic K values were found to increase with increased stretching and can exceed the value K = 6 at a remote radial extension ratio of 2.35. The present K-values compare fairly well with the K-values obtained by previous works. The effect of the hole-size on K-values was investigated. The values of K start to decrease from a hole radius a = 0.125 in. down to K = 1 (no stress concentration) as a shrinks to a = 0 in. (no hole). Also, the newly introduced stretch and strain magnification factors {K(sub ?),K(sub e) } are also material- and deformation-dependent, and can increase from linear levels of {1.0, 4.0} and reaching {3.07, 4.61}, respectively at a remote radial extension ratio of 2.35.

Ultra long period Cepheids: a primary standard candle out to the Hubble flow

NASA Astrophysics Data System (ADS)

Fiorentino, G.; Clementini, G.; Marconi, M.; Musella, I.; Saha, A.; Tosi, M.; Contreras Ramos, R.; Annibali, F.; Aloisi, A.; van der Marel, R.

2012-09-01

The cosmological distance ladder crucially depends on classical Cepheids (with P=3-80 days), which are primary distance indicators up to 33 Mpc. Within this volume, very few SNe Ia have been calibrated through classical Cepheids, with uncertainty related to the non-linearity and the metallicity dependence of their period-luminosity (PL) relation. Although a general consensus on these effects is still not achieved, classical Cepheids remain the most used primary distance indicators. A possible extension of these standard candles to further distances would be important. In this context, a very promising new tool is represented by the ultra-long period (ULP) Cepheids ( P≳80 days), recently identified in star-forming galaxies. Only a small number of ULP Cepheids have been discovered so far. Here we present and analyse the properties of an updated sample of 37 ULP Cepheids observed in galaxies within a very large metallicity range of 12+log(O/H) from ˜7.2 to 9.2 dex. We find that their location in the colour-magnitude ( V- I, V) diagram as well as their Wesenheit ( V- I) index-period (WP) relation suggests that they are the counterparts at high luminosity of the shorter-period ( P≲80 days) classical Cepheids. However, a complete pulsation and evolutionary theoretical scenario is needed to properly interpret the true nature of these objects. We do not confirm the flattening in the studied WP relation suggested by Bird et al. (Astrophys. J. 695:874, 2009). Using the whole sample, we find that ULP Cepheids lie around a WP relation similar to that of the LMC, although with a large spread (˜ 0.4 mag).

Toxicity of TiO2 nanoparticles on soil nitrification at environmentally relevant concentrations: Lack of classical dose-response relationships.

PubMed

Simonin, Marie; Martins, Jean M F; Le Roux, Xavier; Uzu, Gaëlle; Calas, Aude; Richaume, Agnès

2017-03-01

Titanium-dioxide nanoparticles (TiO 2 -NPs) are increasingly released in agricultural soils through, e.g. biosolids, irrigation or nanoagrochemicals. Soils are submitted to a wide range of concentrations of TiO 2 -NPs depending on the type of exposure. However, most studies have assessed the effects of unrealistically high concentrations, and the dose-response relationships are not well characterized for soil microbial communities. Here, using soil microcosms, we assessed the impact of TiO 2 -NPs at concentrations ranging from 0.05 to 500 mg kg -1  dry-soil, on the activity and abundance of ammonia-oxidizing archaea (AOA) and bacteria (AOB), and nitrite-oxidizing bacteria (Nitrobacter and Nitrospira). In addition, aggregation and oxidative potential of TiO 2 -NPs were measured in the spiking suspensions, as they can be important drivers of TiO 2 -NPs toxicity. After 90 days of exposure, non-classical dose-response relationships were observed for nitrifier abundance or activity, making threshold concentrations impossible to compute. Indeed, AOA abundance was reduced by 40% by TiO 2 -NPs whatever the concentration, while Nitrospira was never affected. Moreover, AOB and Nitrobacter abundances were decreased mainly at intermediate concentrations nitrification was reduced by 25% at the lowest (0.05 mg kg -1 ) and the highest (100 and 500 mg kg -1 ) TiO 2 -NPs concentrations. Path analyses indicated that TiO 2 -NPs affected nitrification through an effect on the specific activity of nitrifiers, in addition to indirect effects on nitrifier abundances. Altogether these results point out the need to include very low concentrations of NPs in soil toxicological studies, and the lack of relevance of classical dose-response tests and ecotoxicological dose metrics (EC50, IC50…) for TiO 2 -NPs impact on soil microorganisms.

Classical and quantum non-linear optical applications using the Mach-Zehnder interferometer

NASA Astrophysics Data System (ADS)

Prescod, Andru

Mach Zehnder (MZ) modulators are widely employed in a variety of applications, such as optical communications, optical imaging, metrology and encryption. In this dissertation, we explore two non-linear MZ applications; one classified as classical and one as quantum, in which the Mach Zehnder interferometer is used. In the first application, a classical non-linear application, we introduce and study a new electro-optic highly linear (e.g., >130 dB) modulator configuration. This modulator makes use of a phase modulator (PM) in one arm of the MZ interferometer (MZI) and a ring resonator (RR) located on the other arm. The modulator performance is obtained through the control of a combination of internal and external parameters. These parameters include the RR-coupling ratio (internal parameter); the RF power split ratio and the RF phase bias (external parameters). Results show the unique and superior features, such as high linearity (SFDR˜133 dB), modulation bandwidth extension (as much as 70%) over the previously proposed and demonstrated Resonator-Assisted Mach Zehnder (RAMZ) design. Furthermore the proposed electro-optic modulator of this dissertation also provides an inherent SFDR compensation capability, even in cases where a significant waveguide optical loss exists. This design also shows potential for increased flexibility, practicality and ease of use. In the second application, a quantum non-linear application, we experimentally demonstrate quantum optical coherence tomography (QOCT) using a type II non-linear crystal (periodically-poled potassium titanyl phosphate (KTiOPO4) or PPKTP). There have been several publications discussing the merits and disadvantages of QOCT compared to OCT and other imaging techniques. First, we discuss the issues and solutions for increasing the efficiency of the quantum entangled photons. Second, we use a free space QOCT experiment to generate a high flux of these quantum entangled photons in two orthogonal polarizations, by parametric down-conversion. Third, by ensuring that these down-converted photons have the same frequency, spatial-temporal mode, and the same polarization when they interfere at a beam splitter, quantum interference should occur. Quantum interference of these entangled photons enables high resolution probing of dispersive samples.

L(2) stability for weak solutions of the Navier-Stokes equations in R(3)

NASA Astrophysics Data System (ADS)

Secchi, P.

1985-11-01

We consider the motion of a viscous fluid filling the whole space R3, governed by the classical Navier-Stokes equations (1). Existence of global (in time) regular solutions for that system of non-linear partial differential equations is still an open problem. Up to now, the only available global existence theorem (other than for sufficiently small initial data) is that of weak (turbulent) solutions. From both the mathematical and the physical point of view, an interesting property is the stability of such weak solutions. We assume that v(t,x) is a solution, with initial datum vO(x). We suppose that the initial datum is perturbed and consider one weak solution u corresponding to the new initial velocity. Then we prove that, due to viscosity, the perturbed weak solution u approaches in a suitable norm the unperturbed one, as time goes to + infinity, without smallness assumptions on the initial perturbation.

Quantum simulation from the bottom up: the case of rebits

NASA Astrophysics Data System (ADS)

Enshan Koh, Dax; Yuezhen Niu, Murphy; Yoder, Theodore J.

2018-05-01

Typically, quantum mechanics is thought of as a linear theory with unitary evolution governed by the Schrödinger equation. While this is technically true and useful for a physicist, with regards to computation it is an unfortunately narrow point of view. Just as a classical computer can simulate highly nonlinear functions of classical states, so too can the more general quantum computer simulate nonlinear evolutions of quantum states. We detail one particular simulation of nonlinearity on a quantum computer, showing how the entire class of -unitary evolutions (on n qubits) can be simulated using a unitary, real-amplitude quantum computer (consisting of n  +  1 qubits in total). These operators can be represented as the sum of a linear and antilinear operator, and add an intriguing new set of nonlinear quantum gates to the toolbox of the quantum algorithm designer. Furthermore, a subgroup of these nonlinear evolutions, called the -Cliffords, can be efficiently classically simulated, by making use of the fact that Clifford operators can simulate non-Clifford (in fact, non-linear) operators. This perspective of using the physical operators that we have to simulate non-physical ones that we do not is what we call bottom-up simulation, and we give some examples of its broader implications.

FAST TRACK PAPER: Non-iterative multiple-attenuation methods: linear inverse solutions to non-linear inverse problems - II. BMG approximation

NASA Astrophysics Data System (ADS)

Ikelle, Luc T.; Osen, Are; Amundsen, Lasse; Shen, Yunqing

2004-12-01

The classical linear solutions to the problem of multiple attenuation, like predictive deconvolution, τ-p filtering, or F-K filtering, are generally fast, stable, and robust compared to non-linear solutions, which are generally either iterative or in the form of a series with an infinite number of terms. These qualities have made the linear solutions more attractive to seismic data-processing practitioners. However, most linear solutions, including predictive deconvolution or F-K filtering, contain severe assumptions about the model of the subsurface and the class of free-surface multiples they can attenuate. These assumptions limit their usefulness. In a recent paper, we described an exception to this assertion for OBS data. We showed in that paper that a linear and non-iterative solution to the problem of attenuating free-surface multiples which is as accurate as iterative non-linear solutions can be constructed for OBS data. We here present a similar linear and non-iterative solution for attenuating free-surface multiples in towed-streamer data. For most practical purposes, this linear solution is as accurate as the non-linear ones.

Reduced order surrogate modelling (ROSM) of high dimensional deterministic simulations

NASA Astrophysics Data System (ADS)

Mitry, Mina

Often, computationally expensive engineering simulations can prohibit the engineering design process. As a result, designers may turn to a less computationally demanding approximate, or surrogate, model to facilitate their design process. However, owing to the the curse of dimensionality, classical surrogate models become too computationally expensive for high dimensional data. To address this limitation of classical methods, we develop linear and non-linear Reduced Order Surrogate Modelling (ROSM) techniques. Two algorithms are presented, which are based on a combination of linear/kernel principal component analysis and radial basis functions. These algorithms are applied to subsonic and transonic aerodynamic data, as well as a model for a chemical spill in a channel. The results of this thesis show that ROSM can provide a significant computational benefit over classical surrogate modelling, sometimes at the expense of a minor loss in accuracy.

ZnO Nanorod-Based Non-Enzymatic Optical Glucose Biosensor.

PubMed

Sarangi, Sachindra Nath; Nozaki, Shinji; Sahu, Surendra Nath

2015-06-01

The highly sensitive, interference-free and non-enzymatic optical sensing of glucose has been made possible for the first time using the hydrothermally synthesized ZnO nanorods. The UV irradiation of glucose-treated ZnO nanorods decomposes glucose into hydrogen peroxide (H2O2) and gluconic acid by UV oxidation. The ZnO nanorods play the role of a catalyst similar to the oxidase used in the enzymatic glucose sensors. The photoluminescence (PL) intensity of the near-band edge emission of the ZnO nanorods linearly decreased with the increased concentration of H2O2. Therefore, the glucose concentration is monitored over the wide range of 0.5-30 mM, corresponding to 9-540 mg/dL. The concentration range of the linear region in the calibration curve is suitable for its clinical use as a glucose sensor, because the glucose concentration of human serum is typically in the range of 80-120 mg/dL. In addition, the optical glucose sensor made of the ZnO nanorods is free from interference by bovin serum albumin, ascorbic acid or uric acid, which are also present in human blood. The non-enzymatic ZnO-nanorod sensor has been demonstrated with human serum samples from both normal persons and diabetic patients. There is a good agreement between the glucose concentrations measured by the PL quenching and standard clinical methods.

Revisiting the positive DC corona discharge theory: Beyond Peek's and Townsend's law

NASA Astrophysics Data System (ADS)

Monrolin, Nicolas; Praud, Olivier; Plouraboué, Franck

2018-06-01

The classical positive Corona Discharge theory in a cylindrical axisymmetric configuration is revisited in order to find analytically the influence of gas properties and thermodynamic conditions on the corona current. The matched asymptotic expansion of Durbin and Turyn [J. Phys. D: Appl. Phys. 20, 1490-1495 (1987)] of a simplified but self-consistent problem is performed and explicit analytical solutions are derived. The mathematical derivation enables us to express a new positive DC corona current-voltage characteristic, choosing either a dimensionless or dimensional formulation. In dimensional variables, the current voltage law and the corona inception voltage explicitly depend on the electrode size and physical gas properties such as ionization and photoionization parameters. The analytical predictions are successfully confronted with experiments and Peek's and Townsend's laws. An analytical expression of the corona inception voltage φ o n is proposed, which depends on the known values of physical parameters without adjustable parameters. As a proof of consistency, the classical Townsend current-voltage law I = C φ ( φ - φ o n ) is retrieved by linearizing the non-dimensional analytical solution. A brief parametric study showcases the interest in this analytical current model, especially for exploring small corona wires or considering various thermodynamic conditions.

Faster than classical quantum algorithm for dense formulas of exact satisfiability and occupation problems

NASA Astrophysics Data System (ADS)

Mandrà, Salvatore; Giacomo Guerreschi, Gian; Aspuru-Guzik, Alán

2016-07-01

We present an exact quantum algorithm for solving the Exact Satisfiability problem, which belongs to the important NP-complete complexity class. The algorithm is based on an intuitive approach that can be divided into two parts: the first step consists in the identification and efficient characterization of a restricted subspace that contains all the valid assignments of the Exact Satisfiability; while the second part performs a quantum search in such restricted subspace. The quantum algorithm can be used either to find a valid assignment (or to certify that no solution exists) or to count the total number of valid assignments. The query complexities for the worst-case are respectively bounded by O(\\sqrt{{2}n-{M\\prime }}) and O({2}n-{M\\prime }), where n is the number of variables and {M}\\prime the number of linearly independent clauses. Remarkably, the proposed quantum algorithm results to be faster than any known exact classical algorithm to solve dense formulas of Exact Satisfiability. As a concrete application, we provide the worst-case complexity for the Hamiltonian cycle problem obtained after mapping it to a suitable Occupation problem. Specifically, we show that the time complexity for the proposed quantum algorithm is bounded by O({2}n/4) for 3-regular undirected graphs, where n is the number of nodes. The same worst-case complexity holds for (3,3)-regular bipartite graphs. As a reference, the current best classical algorithm has a (worst-case) running time bounded by O({2}31n/96). Finally, when compared to heuristic techniques for Exact Satisfiability problems, the proposed quantum algorithm is faster than the classical WalkSAT and Adiabatic Quantum Optimization for random instances with a density of constraints close to the satisfiability threshold, the regime in which instances are typically the hardest to solve. The proposed quantum algorithm can be straightforwardly extended to the generalized version of the Exact Satisfiability known as Occupation problem. The general version of the algorithm is presented and analyzed.

Characterization and Genetic Variation of Vibrio cholerae Isolated from Clinical and Environmental Sources in Thailand.

PubMed

Siriphap, Achiraya; Leekitcharoenphon, Pimlapas; Kaas, Rolf S; Theethakaew, Chonchanok; Aarestrup, Frank M; Sutheinkul, Orasa; Hendriksen, Rene S

2017-01-01

Cholera is still an important public health problem in several countries, including Thailand. In this study, a collection of clinical and environmental V. cholerae serogroup O1, O139, and non-O1/non-O139 strains originating from Thailand (1983 to 2013) was characterized to determine phenotypic and genotypic traits and to investigate the genetic relatedness. Using a combination of conventional methods and whole genome sequencing (WGS), 78 V. cholerae strains were identified. WGS was used to determine the serogroup, biotype, virulence, mobile genetic elements, and antimicrobial resistance genes using online bioinformatics tools. In addition, phenotypic antimicrobial resistance was determined by the minimal inhibitory concentration (MIC) test. The 78 V. cholerae strains belonged to the following serogroups O1: (n = 44), O139 (n = 16) and non-O1/non-O139 (n = 18). Interestingly, we found that the typical El Tor O1 strains were the major cause of clinical cholera during 1983-2000 with two Classical O1 strains detected in 2000. In 2004-2010, the El Tor variant strains revealed genotypes of the Classical biotype possessing either only ctxB or both ctxB and rstR while they harbored tcpA of the El Tor biotype. Thirty O1 and eleven O139 clinical strains carried CTXϕ (Cholera toxin) and tcpA as well four different pathogenic islands (PAIs). Beside non-O1/non-O139, the O1 environmental strains also presented chxA and Type Three Secretion System (TTSS). The in silico MultiLocus Sequence Typing (MLST) discriminated the O1 and O139 clinical strains from other serogroups and environmental strains. ST69 was dominant in the clinical strains belonging to the 7th pandemic clone. Non-O1/non-O139 and environmental strains showed various novel STs indicating genetic variation. Multidrug-resistant (MDR) strains were observed and conferred resistance to ampicillin, azithromycin, nalidixic acid, sulfamethoxazole, tetracycline, and trimethoprim and harboured variants of the SXT elements. For the first time since 1986, the presence of V. cholerae O1 Classical was reported causing cholera outbreaks in Thailand. In addition, we found that V. cholerae O1 El Tor variant and O139 were pre-dominating the pathogenic strains in Thailand. Using WGS and bioinformatic tools to analyze both historical and contemporary V. cholerae circulating in Thailand provided a more detailed understanding of the V. cholerae epidemiology, which ultimately could be applied for control measures and management of cholera in Thailand.

Characterization and Genetic Variation of Vibrio cholerae Isolated from Clinical and Environmental Sources in Thailand

PubMed Central

Siriphap, Achiraya; Leekitcharoenphon, Pimlapas; Kaas, Rolf S.; Theethakaew, Chonchanok; Aarestrup, Frank M.; Sutheinkul, Orasa; Hendriksen, Rene S.

2017-01-01

Cholera is still an important public health problem in several countries, including Thailand. In this study, a collection of clinical and environmental V. cholerae serogroup O1, O139, and non-O1/non-O139 strains originating from Thailand (1983 to 2013) was characterized to determine phenotypic and genotypic traits and to investigate the genetic relatedness. Using a combination of conventional methods and whole genome sequencing (WGS), 78 V. cholerae strains were identified. WGS was used to determine the serogroup, biotype, virulence, mobile genetic elements, and antimicrobial resistance genes using online bioinformatics tools. In addition, phenotypic antimicrobial resistance was determined by the minimal inhibitory concentration (MIC) test. The 78 V. cholerae strains belonged to the following serogroups O1: (n = 44), O139 (n = 16) and non-O1/non-O139 (n = 18). Interestingly, we found that the typical El Tor O1 strains were the major cause of clinical cholera during 1983–2000 with two Classical O1 strains detected in 2000. In 2004–2010, the El Tor variant strains revealed genotypes of the Classical biotype possessing either only ctxB or both ctxB and rstR while they harbored tcpA of the El Tor biotype. Thirty O1 and eleven O139 clinical strains carried CTXϕ (Cholera toxin) and tcpA as well four different pathogenic islands (PAIs). Beside non-O1/non-O139, the O1 environmental strains also presented chxA and Type Three Secretion System (TTSS). The in silico MultiLocus Sequence Typing (MLST) discriminated the O1 and O139 clinical strains from other serogroups and environmental strains. ST69 was dominant in the clinical strains belonging to the 7th pandemic clone. Non-O1/non-O139 and environmental strains showed various novel STs indicating genetic variation. Multidrug-resistant (MDR) strains were observed and conferred resistance to ampicillin, azithromycin, nalidixic acid, sulfamethoxazole, tetracycline, and trimethoprim and harboured variants of the SXT elements. For the first time since 1986, the presence of V. cholerae O1 Classical was reported causing cholera outbreaks in Thailand. In addition, we found that V. cholerae O1 El Tor variant and O139 were pre-dominating the pathogenic strains in Thailand. Using WGS and bioinformatic tools to analyze both historical and contemporary V. cholerae circulating in Thailand provided a more detailed understanding of the V. cholerae epidemiology, which ultimately could be applied for control measures and management of cholera in Thailand. PMID:28103259

MHD boundary layer slip flow and heat transfer of ferrofluid along a stretching cylinder with prescribed heat flux.

PubMed

Qasim, Muhammad; Khan, Zafar Hayat; Khan, Waqar Ahmad; Ali Shah, Inayat

2014-01-01

This study investigates the magnetohydrodynamic (MHD) flow of ferrofluid along a stretching cylinder. The velocity slip and prescribed surface heat flux boundary conditions are employed on the cylinder surface. Water as conventional base fluid containing nanoparticles of magnetite (Fe3O4) is used. Comparison between magnetic (Fe3O4) and non-magnetic (Al2O3) nanoparticles is also made. The governing non-linear partial differential equations are reduced to non-linear ordinary differential equations and then solved numerically using shooting method. Present results are compared with the available data in the limiting cases. The present results are found to be in an excellent agreement. It is observed that with an increase in the magnetic field strength, the percent difference in the heat transfer rate of magnetic nanoparticles with Al2O3 decreases. Surface shear stress and the heat transfer rate at the surface increase as the curvature parameter increases, i.e curvature helps to enhance the heat transfer.

Non-enzymatic detection of glucose in fruits using TiO2-Mn3O4 hybrid nano interface

NASA Astrophysics Data System (ADS)

Jayanth Babu, K.; Sasya, Madhurantakam; Nesakumar, Noel; Shankar, Prabakaran; Gumpu, Manju Bhargavi; Ramachandra, Bhat Lakshmishri; Kulandaisamy, Arockia Jayalatha; Rayappan, John Bosco Balaguru

2017-08-01

Consumption of fruits leads to increase in glucose level in blood for diabetic patients, which in turn leads to peripheral, vascular, ocular complications and cardiac diseases. In this context, a non-enzymatic hybrid glucose biosensor was fabricated for the first time to detect glucose by immobilizing titanium oxide-manganese oxide (TiO2-Mn3O4) nanocomposite and chitosan membrane on to the surface of Pt working electrode (Pt/TiO2-Mn3O4/chitosan). TiO2-Mn3O4 nanocomposite catalyzed the oxidation of glucose to gluconolactone in the absence of glucose oxidase enzyme with high electron transfer rate, good biocompatibility and large surface coverage. Electrochemical measurements revealed the excellent sensing response of the developed biosensor towards glucose with a high sensitivity of 7.073 µA mM-1, linearity of 0.01-0.1 mM, low detection limit of 0.01 µM, reproducibility of 1.5% and stability of 98.8%. The electrochemical parameters estimated from the anodic process were subjected to linear regression models for the detection of unknown concentration of glucose in different fruit samples.

Table 137. H2 16O (H16OH): Line position and intensity for rotational transitions (060)-(060) in the range 757-934 cm-1

NASA Astrophysics Data System (ADS)

Guelachvili, G.; Picqué, N.

This document is part of Subvolume C 'Non-linear Triatomic Molecules', Part 1 'H2O (HOH)', Part α'H2 16O (H16OH)' of Volume 20 'Molecular Constants Mostly from Infrared Spectroscopy' of Landolt-Börnstein - Group II 'Molecules and Radicals'.

Electron-positron momentum density in Tl 2Ba 2CuO 6

NASA Astrophysics Data System (ADS)

Barbiellini, B.; Gauthier, M.; Hoffmann, L.; Jarlborg, T.; Manuel, A. A.; Massidda, S.; Peter, M.; Triscone, G.

1994-08-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor Tl 2Ba 2CuO 6, together with some preliminary two-dimensional angular correlation of the annihilation radiation (2D-ACAR) measurements. The calculations are based on the first-principles electronic structure obtained using the full-potential linearized augmented plane wave (FLAPW) and the linear muffin-tin orbital (LMTO) methods. We also use a linear combination of the atomic orbitals-molecular orbital method (LCAO-MO) to discuss orbital contributions to the anisotropies. Some agreement between calculated and measured 2D-ACAR anisotropies encourage sample improvement for further Fermi surface investigations. Indeed, our results indicate a non-negligle overlap of the positron wave function with the CuOo 2 plane electrons. Therefore, this compound may be well suited for investigating the relevant CuO 2 Fermi surface by 2D-ACAR.

Experimental quantum computing to solve systems of linear equations.

PubMed

Cai, X-D; Weedbrook, C; Su, Z-E; Chen, M-C; Gu, Mile; Zhu, M-J; Li, Li; Liu, Nai-Le; Lu, Chao-Yang; Pan, Jian-Wei

2013-06-07

Solving linear systems of equations is ubiquitous in all areas of science and engineering. With rapidly growing data sets, such a task can be intractable for classical computers, as the best known classical algorithms require a time proportional to the number of variables N. A recently proposed quantum algorithm shows that quantum computers could solve linear systems in a time scale of order log(N), giving an exponential speedup over classical computers. Here we realize the simplest instance of this algorithm, solving 2×2 linear equations for various input vectors on a quantum computer. We use four quantum bits and four controlled logic gates to implement every subroutine required, demonstrating the working principle of this algorithm.

Vortex unbinding in 2D classical JJ arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Minnhagen, Petter

1998-05-15

Vortices for 2D superfluids are introduced and are described in terms of a 2D Coulomb gas. The 2D classical JJ array is modeled by a 2D XY-model and a mapping between the XY-model and the Coulomb gas is given. The physical properties of a JJ array are then given in terms of the corresponding Coulomb gas properties. First aspects of the Kosterlitz-Thouless vortex unbinding transitions are reviewed. Consequences for the resistance as well as the frequency dependent conductivity are described. Next the vortex unbinding induced by an external current is considered with Consequencies for the non-linear IV-characteristics. Finally some somemore » effects of a perpendicular magnetic field are discussed in terms of an interplay between free vortices and bound vortex pairs.« less

Preparing cuprous oxide nanomaterials by electrochemical method for non-enzymatic glucose biosensor

NASA Astrophysics Data System (ADS)

Nguyen, Thu-Thuy; Huy, Bui The; Hwang, Seo-Young; Vuong, Nguyen Minh; Pham, Quoc-Thai; Nghia, Nguyen Ngoc; Kirtland, Aaron; Lee, Yong-Ill

2018-05-01

Cuprous oxide (Cu2O) nanostructure has been synthesized using an electrochemical method with a two-electrode system. Cu foils were used as electrodes and NH2(OH) was utilized as the reducing agent. The effects of pH and applied voltages on the morphology of the product were investigated. The morphology and optical properties of Cu2O particles were characterized using scanning electron microscopy, x-ray diffraction, and diffuse reflectance spectra. The synthesized Cu2O nanostructures that formed in the vicinity of the anode at 2 V and pH = 11 showed high uniform distribution, small size, and good electrochemical sensing. These Cu2O nanoparticles were coated on an Indium tin oxide substrate and applied to detect non-enzyme glucose as excellent biosensors. The non-enzyme glucose biosensors exhibited good performance with high response, good selectivity, wide linear detection range, and a low detection limit at 0.4 μM. Synthesized Cu2O nanostructures are potential materials for a non-enzyme glucose biosensor.

Preparing cuprous oxide nanomaterials by electrochemical method for non-enzymatic glucose biosensor.

PubMed

Nguyen, Thu-Thuy; Huy, Bui The; Hwang, Seo-Young; Vuong, Nguyen Minh; Pham, Quoc-Thai; Nghia, Nguyen Ngoc; Kirtland, Aaron; Lee, Yong-Ill

2018-05-18

Cuprous oxide (Cu 2 O) nanostructure has been synthesized using an electrochemical method with a two-electrode system. Cu foils were used as electrodes and NH 2 (OH) was utilized as the reducing agent. The effects of pH and applied voltages on the morphology of the product were investigated. The morphology and optical properties of Cu 2 O particles were characterized using scanning electron microscopy, x-ray diffraction, and diffuse reflectance spectra. The synthesized Cu 2 O nanostructures that formed in the vicinity of the anode at 2 V and pH = 11 showed high uniform distribution, small size, and good electrochemical sensing. These Cu 2 O nanoparticles were coated on an Indium tin oxide substrate and applied to detect non-enzyme glucose as excellent biosensors. The non-enzyme glucose biosensors exhibited good performance with high response, good selectivity, wide linear detection range, and a low detection limit at 0.4 μM. Synthesized Cu 2 O nanostructures are potential materials for a non-enzyme glucose biosensor.

Thermal annealing and single-domain preparation in tetragonal Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 crystal for electro-optic and non-linear optical applications

NASA Astrophysics Data System (ADS)

Zhao, Ye; Wang, Sanhong; Fu, Xiaotian; Zhuang, Yongyong; Yang, Rui; Yang, Zhi; Li, Zhenrong; Xu, Zhuo; Wei, Xiaoyong

2018-02-01

The relaxor-PbTiO3 single crystal has attracted extensive attention in ultrasound transducers, sensors, actuators, and optoelectronics devices due to its excellent piezoelectric response and electro-optic properties. Preparation of a single-domain crystal as a critical process for application in electro-optic and non-linear optical devices suffers from serious and inevitable cracking. Therefore, a pre-poling thermal annealing process was suggested to release residual stress from crystal growth and the ferroelectric-paraelectric phase transition, which significantly reduced the chance of cracking. The effect of thermal annealing on dielectric properties, strain behavior, and domain structure were investigated. As a result, a significant increase of the dielectric constant near room temperature was obtained after annealing, which is close to the dielectric constant of the a-oriented domain. The annealed single crystal showed a lower and sharper strain peak at the coercive electric field compared with the unannealed sample, and the 90° domain walls completely vanished, which was verified by optical microscopy. The crack-free single-domain crystal showed excellent optical quality, with high transmittance of approximately 70% in the visible and near-infrared regions, which indicates that this crystal is a promising candidate for applications in electro-optic and non-linear optical devices.

Oxygen Atom Exchange between H2O and Non-Heme Oxoiron(IV) Complexes: Ligand Dependence and Mechanism.

PubMed

Puri, Mayank; Company, Anna; Sabenya, Gerard; Costas, Miquel; Que, Lawrence

2016-06-20

Detailed studies of oxygen atom exchange (OAE) between H2(18)O and synthetic non-heme oxoiron(IV) complexes supported by tetradentate and pentadentate ligands provide evidence that they proceed by a common mechanism but within two different kinetic regimes, with OAE rates that span 2 orders of magnitude. The first kinetic regime involves initial reversible water association to the Fe(IV) complex, which is evidenced by OAE rates that are linearly dependent on [H2(18)O] and H2O/D2O KIEs of 1.6, while the second kinetic regime involves a subsequent rate determining proton-transfer step between the bound aqua and oxo ligands that is associated with saturation behavior with [H2(18)O] and much larger H2O/D2O KIEs of 5-6. [Fe(IV)(O)(TMC)(MeCN)](2+) (1) and [Fe(IV)(O)(MePy2TACN)](2+) (9) are examples of complexes that exhibit kinetic behavior in the first regime, while [Fe(IV)(O)(N4Py)](2+) (3), [Fe(IV)(O)(BnTPEN)](2+) (4), [Fe(IV)(O)(1Py-BnTPEN)](2+) (5), [Fe(IV)(O)(3Py-BnTPEN)](2+) (6), and [Fe(IV)(O)(Me2Py2TACN)](2+) (8) represent complexes that fall in the second kinetic regime. Interestingly, [Fe(IV)(O)(PyTACN)(MeCN)](2+) (7) exhibits a linear [H2(18)O] dependence below 0.6 M and saturation above 0.6 M. Analysis of the temperature dependence of the OAE rates shows that most of these complexes exhibit large and negative activation entropies, consistent with the proposed mechanism. One exception is complex 9, which has a near-zero activation entropy and is proposed to undergo ligand-arm dissociation during the RDS to accommodate H2(18)O binding. These results show that the observed OAE kinetic behavior is highly dependent on the nature of the supporting ligand and are of relevance to studies of non-heme oxoiron(IV) complexes in water or acetonitrile/water mixtures for applications in photocatalysis and water oxidation chemistry.

Linear dynamics of classical spin as Mobius transformation

DOE PAGES

Galda, Alexey; Vinokur, Valerii М.

2017-04-26

Though the overwhelming majority of natural processes occur far from the equilibrium, general theoretical approaches to non-equilibrium phase transitions remain scarce. Recent breakthroughs introduced a description of open dissipative systems in terms of non-Hermitian quantum mechanics enabling the identification of a class of non-equilibrium phase transitions associated with the loss of combined parity (reflection) and time-reversal symmetries. Here we report that the time evolution of a single classical spin (e.g. monodomain ferromagnet) governed by the Landau-Lifshitz-Gilbert-Slonczewski equation in the absence of magnetic anisotropy terms is described by a Mobius transformation in complex stereographic coordinates. We identify the parity-time symmetry-breaking phasemore » transition occurring in spin-transfer torque-driven linear spin systems as a transition between hyperbolic and loxodromic classes of Mobius transformations, with the critical point of the transition corresponding to the parabolic transformation. However, this establishes the understanding of non-equilibrium phase transitions as topological transitions in configuration space.« less

Dosimeter-Type NOx Sensing Properties of KMnO4 and Its Electrical Conductivity during Temperature Programmed Desorption

PubMed Central

Groβ, Andrea; Kremling, Michael; Marr, Isabella; Kubinski, David J.; Visser, Jacobus H.; Tuller, Harry L.; Moos, Ralf

2013-01-01

An impedimetric NOx dosimeter based on the NOx sorption material KMnO4 is proposed. In addition to its application as a low level NOx dosimeter, KMnO4 shows potential as a precious metal free lean NOx trap material (LNT) for NOx storage catalysts (NSC) enabling electrical in-situ diagnostics. With this dosimeter, low levels of NO and NO2 exposure can be detected electrically as instantaneous values at 380 °C by progressive NOx accumulation in the KMnO4 based sensitive layer. The linear NOx sensing characteristics are recovered periodically by heating to 650 °C or switching to rich atmospheres. Further insight into the NOx sorption-dependent conductivity of the KMnO4-based material is obtained by the novel eTPD method that combines electrical characterization with classical temperature programmed desorption (TPD). The NOx loading amount increases proportionally to the NOx exposure time at sorption temperature. The cumulated NOx exposure, as well as the corresponding NOx loading state, can be detected linearly by electrical means in two modes: (1) time-continuously during the sorption interval including NOx concentration information from the signal derivative or (2) during the short-term thermal NOx release. PMID:23549366

Quantum and Classical Magnetoresistance in Ambipolar Topological Insulator Transistors with Gate-tunable Bulk and Surface Conduction

PubMed Central

Tian, Jifa; Chang, Cuizu; Cao, Helin; He, Ke; Ma, Xucun; Xue, Qikun; Chen, Yong P.

2014-01-01

Weak antilocalization (WAL) and linear magnetoresistance (LMR) are two most commonly observed magnetoresistance (MR) phenomena in topological insulators (TIs) and often attributed to the Dirac topological surface states (TSS). However, ambiguities exist because these phenomena could also come from bulk states (often carrying significant conduction in many TIs) and are observable even in non-TI materials. Here, we demonstrate back-gated ambipolar TI field-effect transistors in (Bi0.04Sb0.96)2Te3 thin films grown by molecular beam epitaxy on SrTiO3(111), exhibiting a large carrier density tunability (by nearly 2 orders of magnitude) and a metal-insulator transition in the bulk (allowing switching off the bulk conduction). Tuning the Fermi level from bulk band to TSS strongly enhances both the WAL (increasing the number of quantum coherent channels from one to peak around two) and LMR (increasing its slope by up to 10 times). The SS-enhanced LMR is accompanied by a strongly nonlinear Hall effect, suggesting important roles of charge inhomogeneity (and a related classical LMR), although existing models of LMR cannot capture all aspects of our data. Our systematic gate and temperature dependent magnetotransport studies provide deeper insights into the nature of both MR phenomena and reveal differences between bulk and TSS transport in TI related materials. PMID:24810663

Towards classical spectrum generating algebras for f-deformations

NASA Astrophysics Data System (ADS)

Kullock, Ricardo; Latini, Danilo

2016-01-01

In this paper we revise the classical analog of f-oscillators, a generalization of q-oscillators given in Man'ko et al. (1997) [8], in the framework of classical spectrum generating algebras (SGA) introduced in Kuru and Negro (2008) [9]. We write down the deformed Poisson algebra characterizing the entire family of non-linear oscillators and construct its general solution algebraically. The latter, covering the full range of f-deformations, shows an energy dependence both in the amplitude and the frequency of the motion.

Estimating and testing interactions when explanatory variables are subject to non-classical measurement error.

PubMed

Murad, Havi; Kipnis, Victor; Freedman, Laurence S

2016-10-01

Assessing interactions in linear regression models when covariates have measurement error (ME) is complex.We previously described regression calibration (RC) methods that yield consistent estimators and standard errors for interaction coefficients of normally distributed covariates having classical ME. Here we extend normal based RC (NBRC) and linear RC (LRC) methods to a non-classical ME model, and describe more efficient versions that combine estimates from the main study and internal sub-study. We apply these methods to data from the Observing Protein and Energy Nutrition (OPEN) study. Using simulations we show that (i) for normally distributed covariates efficient NBRC and LRC were nearly unbiased and performed well with sub-study size ≥200; (ii) efficient NBRC had lower MSE than efficient LRC; (iii) the naïve test for a single interaction had type I error probability close to the nominal significance level, whereas efficient NBRC and LRC were slightly anti-conservative but more powerful; (iv) for markedly non-normal covariates, efficient LRC yielded less biased estimators with smaller variance than efficient NBRC. Our simulations suggest that it is preferable to use: (i) efficient NBRC for estimating and testing interaction effects of normally distributed covariates and (ii) efficient LRC for estimating and testing interactions for markedly non-normal covariates. © The Author(s) 2013.

Modeling the Inactivation of Intestinal Pathogenic Escherichia coli O157:H7 and Uropathogenic E. coli in Ground Chicken by High Pressure Processing and Thymol

PubMed Central

Chien, Shih-Yung; Sheen, Shiowshuh; Sommers, Christopher H.; Sheen, Lee-Yan

2016-01-01

Disease causing Escherichia coli commonly found in meat and poultry include intestinal pathogenic E. coli (iPEC) as well as extraintestinal types such as the Uropathogenic E. coli (UPEC). In this study we compared the resistance of iPEC (O157:H7) to UPEC in chicken meat using High Pressure Processing (HPP) in with (the hurdle concept) and without thymol essential oil as a sensitizer. UPEC was found slightly more resistant than E. coli O157:H7 (iPEC O157:H7) at 450 and 500 MPa. A central composite experimental design was used to evaluate the effect of pressure (300–400 MPa), thymol concentration (100–200 ppm), and pressure-holding time (10–20 min) on the inactivation of iPEC O157:H7 and UPEC in ground chicken. The hurdle approach reduced the high pressure levels and thymol doses imposed on the food matrices and potentially decreased food quality damaged after treatment. The quadratic equations were developed to predict the impact (lethality) on iPEC O157:H7 (R2 = 0.94) and UPEC (R2 = 0.98), as well as dimensionless non-linear models [Pr > F (<0.0001)]. Both linear and non-linear models were validated with data obtained from separated experiment points. All models may predict the inactivation/lethality within the same order of accuracy. However, the dimensionless non-linear models showed potential applications with parameters outside the central composite design ranges. The results provide useful information of both iPEC O157:H7 and UPEC in regard to how they may survive HPP in the presence or absence of thymol. The models may further assist regulatory agencies and food industry to assess the potential risk of iPEC O157:H7 and UPEC in ground chicken. PMID:27379050

On the electron-induced isotope fractionation in low temperature (32)O(2)/(36)O(2) ices--ozone as a case study.

PubMed

Sivaraman, B; Mebel, A M; Mason, N J; Babikov, D; Kaiser, R I

2011-01-14

The formation of six ozone isotopomers and isotopologues, (16)O(16)O(16)O, (18)O(18)O(18)O, (16)O(16)O(18)O, (18)O(18)O(16)O, (16)O(18)O(16)O, and (18)O(16)O(18)O, has been studied in electron-irradiated solid oxygen (16)O(2) and (18)O(2) (1 ∶ 1) ices at 11 K. Significant isotope effects were found to exist which involved enrichment of (18)O-bearing ozone molecules. The heavy (18)O(18)O(18)O species is formed with a factor of about six higher than the corresponding (16)O(16)O(16)O isotopologue. Likewise, the heavy (18)O(18)O(16)O species is formed with abundances of a factor of three higher than the lighter (16)O(16)O(18)O counterpart. No isotope effect was observed in the production of (16)O(18)O(16)O versus(18)O(16)O(18)O. Such studies on the formation of distinct ozone isotopomers and isotopologues involving non-thermal, non-equilibrium chemistry by irradiation of oxygen ices with high energy electrons, as present in the magnetosphere of the giant planets Jupiter and Saturn, may suggest that similar mechanisms may contribute to the (18)O enrichment on the icy satellites of Jupiter and Saturn such as Ganymede, Rhea, and Dione. In such a Solar System environment, energetic particles from the magnetospheres of the giant planets may induce non-equilibrium reactions of suprathermal and/or electronically excited atoms under conditions, which are quite distinct from isotopic enrichments found in classical, thermal gas phase reactions.

Thumb rule of visual angle: a new confirmation.

PubMed

Groot, C; Ortega, F; Beltran, F S

1994-02-01

The classical thumb rule of visual angle was reexamined. Hence, the visual angle was measured as a function of a thumb's width and the distance between eye and thumb. The measurement of a thumb's width when held at arm's length was taken on 67 second-year students of psychology. The visual angle was about 2 degrees as R. P. O'Shea confirmed in 1991. Also, we confirmed a linear relationship between the size of a thumb's width at arm's length and the visual angle.

4f fine-structure levels as the dominant error in the electronic structures of binary lanthanide oxides.

PubMed

Huang, Bolong

2016-04-05

The ground-state 4f fine-structure levels in the intrinsic optical transition gaps between the 2p and 5d orbitals of lanthanide sesquioxides (Ln2 O3 , Ln = La…Lu) were calculated by a two-way crossover search for the U parameters for DFT + U calculations. The original 4f-shell potential perturbation in the linear response method were reformulated within the constraint volume of the given solids. The band structures were also calculated. This method yields nearly constant optical transition gaps between Ln-5d and O-2p orbitals, with magnitudes of 5.3 to 5.5 eV. This result verifies that the error in the band structure calculations for Ln2 O3 is dominated by the inaccuracies in the predicted 4f levels in the 2p-5d transition gaps, which strongly and non-linearly depend on the on-site Hubbard U. The relationship between the 4f occupancies and Hubbard U is non-monotonic and is entirely different from that for materials with 3d or 4d orbitals, such as transition metal oxides. This new linear response DFT + U method can provide a simpler understanding of the electronic structure of Ln2 O3 and enables a quick examination of the electronic structures of lanthanide solids before hybrid functional or GW calculations. © 2015 Wiley Periodicals, Inc.

The lifespan of 3D radial solutions to the non-isentropic relativistic Euler equations

NASA Astrophysics Data System (ADS)

Wei, Changhua

2017-10-01

This paper investigates the lower bound of the lifespan of three-dimensional spherically symmetric solutions to the non-isentropic relativistic Euler equations, when the initial data are prescribed as a small perturbation with compact support to a constant state. Based on the structure of the hyperbolic system, we show the almost global existence of the smooth solutions to Eulerian flows (polytropic gases and generalized Chaplygin gases) with genuinely nonlinear characteristics. While for the Eulerian flows (Chaplygin gas and stiff matter) with mild linearly degenerate characteristics, we show the global existence of the radial solutions, moreover, for the non-strictly hyperbolic system (pressureless perfect fluid) satisfying the mild linearly degenerate condition, we prove the blowup phenomenon of the radial solutions and show that the lifespan of the solutions is of order O(ɛ ^{-1}), where ɛ denotes the width of the perturbation. This work can be seen as a complement of our work (Lei and Wei in Math Ann 367:1363-1401, 2017) for relativistic Chaplygin gas and can also be seen as a generalization of the classical Eulerian fluids (Godin in Arch Ration Mech Anal 177:497-511, 2005, J Math Pures Appl 87:91-117, 2007) to the relativistic Eulerian fluids.

(4S,5S,6S)-4-Hy­droxy-3-meth­oxy-5-methyl-5,6-ep­oxy­cyclo­hex-2-en-1-one

PubMed Central

Tansuwan, Srinuan; Chanaprat, Porntana; Teerawatananond, Thapong; Muangsin, Nongnuj; Pornpakakul, Surachai

2010-01-01

The title compound, C8H10O4, was isolated from culture extracts of the endophytic fungus Xylaria sp. (PB-30). The cyclo­hexenone ring exhibits a flattened boat conformation. In the crystal structure, mol­ecules related by translation along the b axis are linked into chains through O—H⋯O hydrogen bonds. Weak non-classical C—H⋯O contacts are also observed in the structure. PMID:21588622

Mixing and evaporation processes in an inverse estuary inferred from δ2H and δ18O

NASA Astrophysics Data System (ADS)

Corlis, Nicholas J.; Herbert Veeh, H.; Dighton, John C.; Herczeg, Andrew L.

2003-05-01

We have measured δ2H and δ18O in Spencer Gulf, South Australia, an inverse estuary with a salinity gradient from 36‰ near its entrance to about 45‰ at its head. We show that a simple evaporation model of seawater under ambient conditions, aided by its long residence time in Spencer Gulf, can account for the major features of the non-linear distribution pattern of δ2H with respect to salinity, at least in the restricted part of the gulf. In the more exposed part of the gulf, the δ/ S pattern appears to be governed primarily by mixing processes between inflowing shelf water and outflowing high salinity gulf water. These data provide direct support for the oceanographic model of Spencer Gulf previously proposed by other workers. Although the observed δ/ S relationship here is non-linear and hence in notable contrast to the linear δ/ S relationship in the Red Sea, the slopes of δ2H vs. δ18O are comparable, indicating that the isotopic enrichments in both marginal seas are governed by similar climatic conditions with evaporation exceeding precipitation.

K[AsW{sub 2}O{sub 9}], the first member of the arsenate–tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alekseev, Evgeny V., E-mail: e.alekseev@fz-juelich.de; Institut für Kristallographie, RWTH Aachen, Jägerstraße 17–19 D-52066 Aachen; Felbinger, Olivier

K[AsW{sub 2}O{sub 9}], prepared by high-temperature solid-state reaction, is the first member of the arsenate–tungsten bronze family. The structure of K[AsW{sub 2}O{sub 9}] is based on a 3-dimensional (3D) oxotungstate–arsenate framework with the non-centrosymmetric P2{sub 1}2{sub 1}2{sub 1} space group, a=4.9747(3) Å, b=9.1780(8) Å, c=16.681(2) Å. The material was characterized using X-ray diffraction, scanning electron microscopy (SEM), differential scanning calorimetry (DSC), Raman and infrared (IR) spectroscopic techniques. The results of DSC demonstrate that this phase is stable up to 1076 K. Second harmonic generation (SHG) measurements performed on a powder sample demonstrate noticeable (0.1 of LiIO{sub 3}) non-linear optical (NLO)more » activity. - Graphical abstract: K[AsW{sub 2}O{sub 9}], the first member of arsenate–tungsten bronze family exhibit new three dimensional structure type, significant thermal stability and NLO properties. Highlights: • K[AsW{sub 2}O{sub 9}], the first member of the arsenate–tungsten bronze family was synthesized with solid state reaction technique. • Structure of this phase was investigated with X-ray diffraction, IR and Raman spectroscopy and electron microscopy. • Thermal stability of the phase was determinate with DSC techniques. • NLO properties were investigated.« less

Differential IL-1β secretion by monocyte subsets is regulated by Hsp27 through modulating mRNA stability.

PubMed

Hadadi, Eva; Zhang, Biyan; Baidžajevas, Kajus; Yusof, Nurhashikin; Puan, Kia Joo; Ong, Siew Min; Yeap, Wei Hseun; Rotzschke, Olaf; Kiss-Toth, Endre; Wilson, Heather; Wong, Siew Cheng

2016-12-15

Monocytes play a central role in regulating inflammation in response to infection or injury, and during auto-inflammatory diseases. Human blood contains classical, intermediate and non-classical monocyte subsets that each express characteristic patterns of cell surface CD16 and CD14; each subset also has specific functional properties, but the mechanisms underlying many of their distinctive features are undefined. Of particular interest is how monocyte subsets regulate secretion of the apical pro-inflammatory cytokine IL-1β, which is central to the initiation of immune responses but is also implicated in the pathology of various auto-immune/auto-inflammatory conditions. Here we show that primary human non-classical monocytes, exposed to LPS or LPS + BzATP (3'-O-(4-benzoyl)benzyl-ATP, a P2X7R agonist), produce approx. 80% less IL-1β than intermediate or classical monocytes. Despite their low CD14 expression, LPS-sensing, caspase-1 activation and P2X7R activity were comparable in non-classical monocytes to other subsets: their diminished ability to produce IL-1β instead arose from 50% increased IL-1β mRNA decay rates, mediated by Hsp27. These findings identify the Hsp27 pathway as a novel therapeutic target for the management of conditions featuring dysregulated IL-1β production, and represent an advancement in understanding of both physiological inflammatory responses and the pathogenesis of inflammatory diseases involving monocyte-derived IL-1β.

Mechatronic Aeropendulum: Demonstration of Linear and Nonlinear Feedback Control Principles with MATLAB/Simulink Real-Time Windows Target

ERIC Educational Resources Information Center

Enikov, E. T.; Campa, G.

2012-01-01

This paper presents a low-cost hands-on experiment for a classical undergraduate controls course for non-electrical engineering majors. The setup consists of a small dc electrical motor attached to one of the ends of a light rod. The motor drives a 2-in propeller and allows the rod to swing. Angular position is measured by a potentiometer attached…

Electronic Conductivity of Doped-Lanthanum Gallate Electrolytes

NASA Astrophysics Data System (ADS)

Yamaji, Katsuhiko; Xiong, Yue Ping; Kishimoto, Haruo; Horita, Teruhisa; Sakai, Natsuko; Brito, Manuel E.; Yokokawa, Harumi

Electronic conductivity of doped lanthanum gallate electrolytes were determined by using a Hebb-Wagner type polarization cell. Electronic conductivity of cobalt-doped, La0.8Sr0.2Ga0.8Mg0.15Co0.5O3-δ (LSGMC), and non cobalt-doped, La0.8Sr0.2Ga0.8Mg0.2O2.8 (LSGM8282), were measured as a function of oxygen partial pressures. The electronic conductivity of LSGM8282 showed a linear dependence on p(O2)1/4 in the higher p(O2) region, which is attributed to the electronic hole conductivity. The electronic conductivity of LSGMC showed a linear dependence on p(O2)1/6 in the higher p(O2) region. LSGMC has higher electronic conductivity than LSGM, and the conductivity was not clearly changed with temperatures between 600 and 800 °C. In lower p(O2) region, the electronic conductivity data have poor reproducibility and did not show any dependence on p(O2) because of the degradation of the electrolytes in severe reducing atmospheres.

Microstructural dependence on relevant physical-mechanical properties on SiO2-Na2O-CaO-P2O5 biological glasses.

PubMed

Rajendran, V; Begum, A Nishara; Azooz, M A; el Batal, F H

2002-11-01

Bioactive glasses of the system SiO2-Na2O-CaO-P2O5 have been prepared by the normal melting and annealing technique. The elastic moduli, attenuation, Vickers hardness, fracture toughness and fracture surface energy have been obtained using the known method at room temperature. The temperature dependence of elastic moduli and attenuation measurements have been extended over a wide range of temperature from 150 to 500 K. The SiO2 content dependence of velocities, attenuation, elastic moduli, and other parameters show an interesting observation at 45 wt% of SiO2 by exhibiting an anomalous behaviour. A linear relation is developed for Tg, which explores the influence of Na2O on SiO2-Na2O-CaO-P2O5 bioactive glasses. The measured hardness, fracture toughness and fracture surface energy show a linear relation with Young's modulus. It is also interesting to note that the observed results are functions of polymerisation and the number of non-bridging oxygens (NBO) prevailing in the network with change in SiO2 content. The temperature dependence of velocities, attenuation and elastic moduli show the existence of softening in the glass network structure as temperature increases.

Revealing the transport properties of the spin-polarized β‧-Tb2(MoO4)3: DFT+U

NASA Astrophysics Data System (ADS)

Reshak, A. H.

2017-11-01

The thermoelectric properties of the spin-polarized β‧-Tb2(MoO4)3 phase are calculated using first-principles and second-principles methods to solve the semi-classical Bloch-Boltzmann transport equations. It is interesting to highlight that the calculated electronic band structure reveals that the β‧-Tb2(MoO4)3 has parabolic bands in the vicinity of the Fermi level (EF); therefore, the carriers exhibit low effective mass and hence high mobility. The existence of strong covalent bonds between Mo and O in the MoO4 tetrahedrons is more favorable for the transport of the carriers than the ionic bond. It has been found that the carrier concentration of spin-up (↑) and spin-down (↓) increases linearly with increasing the temperature and exhibits a maximum carrier concentration at EF. The calculations reveal that the β‧-Tb2(MoO4)3 exhibits maximum electrical conductivity, minimum electronic thermal conductivity, a large Seebeck coefficient and a high power factor at EF for (↑) and (↓). Therefore, the vicinity of EF is the area where the β‧-Tb2(MoO4)3 is expected to show maximum efficiency.

A charge-optimized many-body potential for the U-UO2-O2 system

NASA Astrophysics Data System (ADS)

Li, Yangzhong; Liang, Tao; Sinnott, Susan B.; Phillpot, Simon R.

2013-12-01

Building on previous charge-optimized many-body (COMB) potentials for metallic α-U and gaseous O2, we have developed a new potential for UO2, which also allows the simulation of U-UO2-O2 systems. The UO2 lattice parameter, elastic constants and formation energies of stoichiometric and non-stoichiometric intrinsic defects are well reproduced. Moreover, this is the first rigid-ion potential that produces the correct deviation of the Cauchy relation, as well as the first classical interatomic potential that is able to determine the defect energies of non-stoichiometric intrinsic point defects in UO2 with an appropriate reference state. The oxygen molecule interstitial in the α-U structure is shown to decompose, with some U-O bonds approaching the natural bond length of perfect UO2. Finally, we demonstrate the capability of this COMB potential to simulate a complex system by performing a simulation of the α-U + O2 → UO2 phase transformation. We also identify a possible mechanism for uranium oxidation and the orientation of the resulting fluorite UO2 structure relative to the coordinate system of orthorhombic α-U.

Symplectic evolution of Wigner functions in Markovian open systems.

PubMed

Brodier, O; Almeida, A M Ozorio de

2004-01-01

The Wigner function is known to evolve classically under the exclusive action of a quadratic Hamiltonian. If the system also interacts with the environment through Lindblad operators that are complex linear functions of position and momentum, then the general evolution is the convolution of a non-Hamiltonian classical propagation of the Wigner function with a phase space Gaussian that broadens in time. We analyze the consequences of this in the three generic cases of elliptic, hyperbolic, and parabolic Hamiltonians. The Wigner function always becomes positive in a definite time, which does not depend on the initial pure state. We observe the influence of classical dynamics and dissipation upon this threshold. We also derive an exact formula for the evolving linear entropy as the average of a narrowing Gaussian taken over a probability distribution that depends only on the initial state. This leads to a long time asymptotic formula for the growth of linear entropy. We finally discuss the possibility of recovering the initial state.

Doping of Ga in antiferromagnetic semiconductor α-Cr2O3 and its effects on magnetic and electronic properties

NASA Astrophysics Data System (ADS)

Bhowmik, R. N.; Venkata Siva, K.; Ranganathan, R.; Mazumdar, Chandan

2017-06-01

The samples of Ga-doped Cr2O3 have been prepared using chemical co-precipitation route. X-ray diffraction pattern and Raman spectra have indicated rhombohedral crystal structure with space group R 3 bar C. Magnetic measurements indicated diluted antiferromagnetic (AFM) spin order in Ga-doped α-Cr2O3 and ferrimagnetic ordering of spins at about 50-60 K is confirmed from the analysis of the temperature dependence of dc magnetization and ac susceptibility data. Apart from magnetic dilution effect, the samples have shown superparamagnetic behavior below 50 K due to frustrated surface spins of the nano-sized grains. The samples have shown non-linear electronic properties. The current-voltage (I-V) characteristics of the Ga-doped α-Cr2O3 samples are remarkably different from α-Cr2O3 sample. The bi-stable electronic states and negative differential resistance are some of the unique non-linear electronic properties that the I-V curves of Ga-doped samples have exhibited. Optical study revealed three electronic transitions in the samples associated with band gap energy at about 2.67-2.81 eV, 1.91-2.11 eV, 1.28-1.35 eV, respectively. The results indicated multi-level electronic structure in Ga-doped α-Cr2O3 system.

Non-classical logic inverter coupling a ZnO nanowire-based Schottky barrier transistor and adjacent Schottky diode.

PubMed

Hosseini Shokouh, Seyed Hossein; Raza, Syed Raza Ali; Lee, Hee Sung; Im, Seongil

2014-08-21

On a single ZnO nanowire (NW), we fabricated an inverter-type device comprising a Schottky diode (SD) and field-effect transistor (FET), aiming at 1-dimensional (1D) electronic circuits with low power consumption. The SD and adjacent FET worked respectively as the load and driver, so that voltage signals could be easily extracted as the output. In addition, NW FET with a transparent conducting oxide as top gate turned out to be very photosensitive, although ZnO NW SD was blind to visible light. Based on this, we could achieve an array of photo-inverter cells on one NW. Our non-classical inverter is regarded as quite practical for both logic and photo-sensing due to its performance as well as simple device configuration.

Linear and Non-linear Information Flows In Rainfall Field

NASA Astrophysics Data System (ADS)

Molini, A.; La Barbera, P.; Lanza, L. G.

The rainfall process is the result of a complex framework of non-linear dynamical in- teractions between the different components of the atmosphere. It preserves the com- plexity and the intermittent features of the generating system in space and time as well as the strong dependence of these properties on the scale of observations. The understanding and quantification of how the non-linearity of the generating process comes to influence the single rain events constitute relevant research issues in the field of hydro-meteorology, especially in those applications where a timely and effective forecasting of heavy rain events is able to reduce the risk of failure. This work focuses on the characterization of the non-linear properties of the observed rain process and on the influence of these features on hydrological models. Among the goals of such a survey is the research of regular structures of the rainfall phenomenon and the study of the information flows within the rain field. The research focuses on three basic evo- lution directions for the system: in time, in space and between the different scales. In fact, the information flows that force the system to evolve represent in general a connection between the different locations in space, the different instants in time and, unless assuming the hypothesis of scale invariance is verified "a priori", the different characteristic scales. A first phase of the analysis is carried out by means of classic statistical methods, then a survey of the information flows within the field is devel- oped by means of techniques borrowed from the Information Theory, and finally an analysis of the rain signal in the time and frequency domains is performed, with par- ticular reference to its intermittent structure. The methods adopted in this last part of the work are both the classic techniques of statistical inference and a few procedures for the detection of non-linear and non-stationary features within the process starting from measured data.

Remarkably High Stability of Late Actinide Dioxide Cations: Extending Chemistry to Pentavalent Berkelium and Californium.

PubMed

Dau, Phuong D; Vasiliu, Monica; Peterson, Kirk A; Dixon, David A; Gibson, John K

2017-12-06

Actinyl chemistry is extended beyond Cm to BkO 2 + and CfO 2 + through transfer of an O atom from NO 2 to BkO + or CfO + , establishing a surprisingly high lower limit of 73 kcal mol -1 for the dissociation energies, D[O-(BkO + )] and D[O-(CfO + )]. CCSD(T) computations are in accord with the observed reactions, and characterize the newly observed dioxide ions as linear pentavalent actinyls; these being the first Bk and Cf species with oxidation states above IV. Computations of actinide dioxide cations AnO 2 + for An=Pa to Lr reveal an unexpected minimum for D[O-(CmO + )]. For CmO 2 + , and AnO 2 + beyond EsO 2 + , the most stable structure has side-on bonded η 2 -(O 2 ), as An III peroxides for An=Cm and Lr, and as An II superoxides for An=Fm, Md, and No. It is predicted that the most stable structure of EsO 2 + is linear [O=Es V =O] + , einsteinyl, and that FmO 2 + and MdO 2 + , like CmO 2 + , also have actinyl(V) structures as local energy minima. The results expand actinide oxidation state chemistry, the realm of the distinctive actinyl moiety, and the non-periodic character towards the end of the periodic table. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modifier cation effects on 29Si nuclear shielding anisotropies in silicate glasses

NASA Astrophysics Data System (ADS)

Baltisberger, Jay H.; Florian, Pierre; Keeler, Eric G.; Phyo, Pyae A.; Sanders, Kevin J.; Grandinetti, Philip J.

2016-07-01

We have examined variations in the 29Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O · 4.81 SiO2, Rb2O · 3.96 SiO2, Rb2O · 2.25 SiO2, K2O · 4.48 SiO2, Na2O · 4.74 SiO2, BaO · 2.64 SiO2, and SrO · 2.36 SiO2, using natural abundance 29Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the 29Si nuclear shielding anisotropy of Q(3) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu2+ as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of 29Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure.

A non-invasive implementation of a mixed domain decomposition method for frictional contact problems

NASA Astrophysics Data System (ADS)

Oumaziz, Paul; Gosselet, Pierre; Boucard, Pierre-Alain; Guinard, Stéphane

2017-11-01

A non-invasive implementation of the Latin domain decomposition method for frictional contact problems is described. The formulation implies to deal with mixed (Robin) conditions on the faces of the subdomains, which is not a classical feature of commercial software. Therefore we propose a new implementation of the linear stage of the Latin method with a non-local search direction built as the stiffness of a layer of elements on the interfaces. This choice enables us to implement the method within the open source software Code_Aster, and to derive 2D and 3D examples with similar performance as the standard Latin method.

Influences of removing linear and nonlinear trends from climatic variables on temporal variations of annual reference crop evapotranspiration in Xinjiang, China.

PubMed

Li, Yi; Yao, Ning; Chau, Henry Wai

2017-08-15

Reference crop evapotranspiration (ET o ) is a key parameter in field irrigation scheduling, drought assessment and climate change research. ET o uses key prescribed (or fixed or reference) land surface parameters for crops. The linear and nonlinear trends in different climatic variables (CVs) affect ET o change. This research aims to reveal how ET o responds after the related CVs were linearly and nonlinearly detrended over 1961-2013 in Xinjiang, China. The ET o -related CVs included minimum (T min ), average (T ave ), and maximum air temperatures (T max ), wind speed at 2m (U 2 ), relative humidity (RH) and sunshine hour (n). ET o was calculated using the Penman-Monteith equation. A total of 29 ET o scenarios, including the original scenario, 14 scenarios in Group I (ET o was recalculated after removing linear trends from single or more CVs) and 14 scenarios in Group II (ET o was recalculated after removing nonlinear trends from the CVs), were generated. The influence of U 2 was stronger than influences of the other CVs on ET o for both Groups I and II either in northern, southern or the entirety of Xinjiang. The weak influences of increased T min , T ave and T max on increasing ET o were masked by the strong effects of decreased U 2 &n and increased RH on decreasing ET o . The effects of the trends in CVs, especially U 2 , on changing ET o were clearly shown. Without the general decreases of U 2 , ET o would have increased in the past 53years. Due to the non-monotone variations of the CVs and ET o , the results of nonlinearly detrending CVs on changing ET o in Group II should be more plausible than the results of linearly detrending CVs in Group I. The decreasing ET o led to a general relief in drought, which was indicated by the recalculated aridity index. Therefore, there would be a slightly lower risk of water utilization in Xinjiang, China. Copyright © 2017 Elsevier B.V. All rights reserved.

Physical origins of current and temperature controlled negative differential resistances in NbO 2

DOE PAGES

Kumar, Suhas; Wang, Ziwen; Davila, Noraica; ...

2017-09-22

Negative differential resistance behavior in oxide memristors, especially those using NbO 2, is gaining renewed interest because of its potential utility in neuromorphic computing. However, there has been a decade-long controversy over whether the negative differential resistance is caused by a relatively low-temperature non-linear transport mechanism or a high-temperature Mott transition. Resolving this issue will enable consistent and robust predictive modeling of this phenomenon for different applications. Here in this paper, we examine NbO 2 memristors that exhibit both a current-controlled and a temperature-controlled negative differential resistance. Through thermal and chemical spectromicroscopy and numerical simulations, we confirm that the formermore » is caused by a ~400 K non-linear-transport-driven instability and the latter is caused by the ~1000 K Mott metal-insulator transition, for which the thermal conductance counter-intuitively decreases in the metallic state relative to the insulating state.« less

Physical origins of current and temperature controlled negative differential resistances in NbO 2

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kumar, Suhas; Wang, Ziwen; Davila, Noraica

Negative differential resistance behavior in oxide memristors, especially those using NbO 2, is gaining renewed interest because of its potential utility in neuromorphic computing. However, there has been a decade-long controversy over whether the negative differential resistance is caused by a relatively low-temperature non-linear transport mechanism or a high-temperature Mott transition. Resolving this issue will enable consistent and robust predictive modeling of this phenomenon for different applications. Here in this paper, we examine NbO 2 memristors that exhibit both a current-controlled and a temperature-controlled negative differential resistance. Through thermal and chemical spectromicroscopy and numerical simulations, we confirm that the formermore » is caused by a ~400 K non-linear-transport-driven instability and the latter is caused by the ~1000 K Mott metal-insulator transition, for which the thermal conductance counter-intuitively decreases in the metallic state relative to the insulating state.« less

Quantitative analysis of Ni2+/Ni3+ in Li[NixMnyCoz]O2 cathode materials: Non-linear least-squares fitting of XPS spectra

NASA Astrophysics Data System (ADS)

Fu, Zewei; Hu, Juntao; Hu, Wenlong; Yang, Shiyu; Luo, Yunfeng

2018-05-01

Quantitative analysis of Ni2+/Ni3+ using X-ray photoelectron spectroscopy (XPS) is important for evaluating the crystal structure and electrochemical performance of Lithium-nickel-cobalt-manganese oxide (Li[NixMnyCoz]O2, NMC). However, quantitative analysis based on Gaussian/Lorentzian (G/L) peak fitting suffers from the challenges of reproducibility and effectiveness. In this study, the Ni2+ and Ni3+ standard samples and a series of NMC samples with different Ni doping levels were synthesized. The Ni2+/Ni3+ ratios in NMC were quantitatively analyzed by non-linear least-squares fitting (NLLSF). Two Ni 2p overall spectra of synthesized Li [Ni0.33Mn0.33Co0.33]O2(NMC111) and bulk LiNiO2 were used as the Ni2+ and Ni3+ reference standards. Compared to G/L peak fitting, the fitting parameters required no adjustment, meaning that the spectral fitting process was free from operator dependence and the reproducibility was improved. Comparison of residual standard deviation (STD) showed that the fitting quality of NLLSF was superior to that of G/L peaks fitting. Overall, these findings confirmed the reproducibility and effectiveness of the NLLSF method in XPS quantitative analysis of Ni2+/Ni3+ ratio in Li[NixMnyCoz]O2 cathode materials.

Bayesian dynamical systems modelling in the social sciences.

PubMed

Ranganathan, Shyam; Spaiser, Viktoria; Mann, Richard P; Sumpter, David J T

2014-01-01

Data arising from social systems is often highly complex, involving non-linear relationships between the macro-level variables that characterize these systems. We present a method for analyzing this type of longitudinal or panel data using differential equations. We identify the best non-linear functions that capture interactions between variables, employing Bayes factor to decide how many interaction terms should be included in the model. This method punishes overly complicated models and identifies models with the most explanatory power. We illustrate our approach on the classic example of relating democracy and economic growth, identifying non-linear relationships between these two variables. We show how multiple variables and variable lags can be accounted for and provide a toolbox in R to implement our approach.

Temporal responses of coastal hypoxia to nutrient loading and physical controls

NASA Astrophysics Data System (ADS)

Kemp, W. M.; Testa, J. M.; Conley, D. J.; Gilbert, D.; Hagy, J. D.

2009-12-01

The incidence and intensity of hypoxic waters in coastal aquatic ecosystems has been expanding in recent decades coincident with eutrophication of the coastal zone. Worldwide, there is strong interest in reducing the size and duration of hypoxia in coastal waters, because hypoxia causes negative effects for many organisms and ecosystem processes. Although strategies to reduce hypoxia by decreasing nutrient loading are predicated on the assumption that this action would reverse eutrophication, recent analyses of historical data from European and North American coastal systems suggest little evidence for simple linear response trajectories. We review published parallel time-series data on hypoxia and loading rates for inorganic nutrients and labile organic matter to analyze trajectories of oxygen (O2) response to nutrient loading. We also assess existing knowledge of physical and ecological factors regulating O2 in coastal marine waters to facilitate analysis of hypoxia responses to reductions in nutrient (and/or organic matter) inputs. Of the 24 systems identified where concurrent time series of loading and O2 were available, half displayed relatively clear and direct recoveries following remediation. We explored in detail 5 well-studied systems that have exhibited complex, non-linear responses to variations in loading, including apparent "regime shifts". A summary of these analyses suggests that O2 conditions improved rapidly and linearly in systems where remediation focused on organic inputs from sewage treatment plants, which were the primary drivers of hypoxia. In larger more open systems where diffuse nutrient loads are more important in fueling O2 depletion and where climatic influences are pronounced, responses to remediation tended to follow non-linear trends that may include hysteresis and time-lags. Improved understanding of hypoxia remediation requires that future studies use comparative approaches and consider multiple regulating factors. These analyses should consider: (1) the dominant temporal scales of the hypoxia, (2) the relative contributions of inorganic and organic nutrients, (3) the influence of shifts in climatic and oceanographic processes, and (4) the roles of feedback interactions whereby O2-sensitive biogeochemistry, trophic interactions, and habitat conditions influence the nutrient and algal dynamics that regulate O2 levels.

General integrable n-level, many-mode Janes-Cummings-Dicke models and classical r-matrices with spectral parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Skrypnyk, T., E-mail: taras.skrypnyk@unimib.it, E-mail: tskrypnyk@imath.kiev.ua

Using the technique of classical r-matrices and quantum Lax operators, we construct the most general form of the quantum integrable “n-level, many-mode” spin-boson Jaynes-Cummings-Dicke-type hamiltonians describing an interaction of a molecule of N n-level atoms with many modes of electromagnetic field and containing, in general, additional non-linear interaction terms. We explicitly obtain the corresponding quantum Lax operators and spin-boson analogs of the generalized Gaudin hamiltonians and prove their quantum commutativity. We investigate symmetries of the obtained models that are associated with the geometric symmetries of the classical r-matrices and construct the corresponding algebra of quantum integrals. We consider in detailmore » three classes of non-skew-symmetric classical r-matrices with spectral parameters and explicitly obtain the corresponding quantum Lax operators and Jaynes-Cummings-Dicke-type hamiltonians depending on the considered r-matrix.« less

Note on Solutions to a Class of Nonlinear Singular Integro-Differential Equations,

DTIC Science & Technology

1986-08-01

KdV) ut + 2uu x +Uxx x a 0, (1) the sine-Gordon equation Uxt a sin u, (2) and the Kadomtsev - Petviashvili (KP) equation (Ut + 2uu x + UXXx)x -3a 2u yy...SOUIN OA LSFNN ! /" / M.. \\boiz A.S ::-:- and ,M.O.. .- :1/1 / NOTE ON SOLUTIONS TO A CLASS OF NON \\ / LINEAR SINGULAR INTEGRO-DIFFERENTIA[ EQUATIONS by...important nonlinear evolution equations which can be linearized. Many of these equations fall into the category of linearization via soliton theory and

Magnetic properties of the honeycomb oxide Na 2 Co 2 TeO 6

DOE PAGES

Lefrançois, E.; Songvilay, M.; Robert, J.; ...

2016-12-14

We have studied the magnetic properties of Na 2 Co 2 TeO 6 , which features a honeycomb lattice of magnetic Co 2 + ions, through macroscopic characterization and neutron diffraction on a powder sample. We also show that this material orders in a zigzag antiferromagnetic structure. Additionally by allowing a linear magnetoelectric coupling, this magnetic arrangement displays very peculiar spatial magnetic correlations, larger in the honeycomb planes than between the planes, which do not evolve with the temperature. We have investigated this behavior by classical Monte Carlo calculations using the J 1 - J 2 - Jmore » 3 model on a honeycomb lattice with a small interplane interaction. Furthermore, our model reproduces the experimental neutron structure factor, although its absence of temperature evolution must be due to additional ingredients, such as chemical disorder or quantum fluctuations enhanced by the proximity to a phase boundary.« less

On classical mechanical systems with non-linear constraints

NASA Astrophysics Data System (ADS)

Terra, Gláucio; Kobayashi, Marcelo H.

2004-03-01

In the present work, we analyze classical mechanical systems with non-linear constraints in the velocities. We prove that the d'Alembert-Chetaev trajectories of a constrained mechanical system satisfy both Gauss' principle of least constraint and Hölder's principle. In the case of a free mechanics, they also satisfy Hertz's principle of least curvature if the constraint manifold is a cone. We show that the Gibbs-Maggi-Appell (GMA) vector field (i.e. the second-order vector field which defines the d'Alembert-Chetaev trajectories) conserves energy for any potential energy if, and only if, the constraint is homogeneous (i.e. if the Liouville vector field is tangent to the constraint manifold). We introduce the Jacobi-Carathéodory metric tensor and prove Jacobi-Carathéodory's theorem assuming that the constraint manifold is a cone. Finally, we present a version of Liouville's theorem on the conservation of volume for the flow of the GMA vector field.

Comparison of a Classical and Quantum Based Restricted Boltzmann Machine (RBM) for Application to Non-linear Multivariate Regression.

NASA Astrophysics Data System (ADS)

Dorband, J. E.; Tilak, N.; Radov, A.

2016-12-01

In this paper, a classical computer implementation of RBM is compared to a quantum annealing based RBM running on a D-Wave 2X (an adiabatic quantum computer). The codes for both are essentially identical. Only a flag is set to change the activation function from a classically computed logistic function to the D-Wave. To obtain greater understanding of the behavior of the D-Wave, a study of the stochastic properties of a virtual qubit (a 12 qubit chain) and a cell of qubits (an 8 qubit cell) was performed. We will present the results of comparing the D-Wave implementation with a theoretically errorless adiabatic quantum computer. The main purpose of this study is to develop a generic RBM regression tool in order to infer CO2 fluxes from the NASA satellite OCO-2 observed CO2 concentrations and predicted atmospheric states using regression models. The carbon fluxes will then be assimilated into a land surface model to predict the Net Ecosystem Exchange at globally distributed regional sites.

A Single-Use Paper-Shaped Microbial Fuel Cell for Rapid Aqueous Biosensing.

PubMed

Zuo, Kuichang; Liu, Han; Zhang, Qiaoying; Liang, Peng; Huang, Xia; Vecitis, Chad D

2015-06-22

The traditional chamber-based microbial fuel cell (MFC) often has the disadvantages of high ohmic resistance, large volume requirements, and delayed start-up. In this study, paper-shaped MFCs utilizing a porous carbon anode, a solid Ag2 O-coated carbon cathode, and a micrometer-thin porous polyvinylidene fluoride (PVDF) separator are investigated to address the classical MFC issues. The Ag2 O-coated cathode has a low overpotential of 0.06 V at a reducing current of 1 mA compared to a Pt-air cathode. Rapid inoculation by filtration results in an instantaneous power density of 92 mW m(-2) with an internal resistance of 162 Ω. Integrated current over the first 30 min of operation has a linear relation with microbial concentration. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Influence of velocity effects on the shape of N2 (and air) broadened H2O lines revisited with classical molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Ngo, N. H.; Tran, H.; Gamache, R. R.; Bermejo, D.; Domenech, J.-L.

2012-08-01

The modeling of the shape of H2O lines perturbed by N2 (and air) using the Keilson-Storer (KS) kernel for collision-induced velocity changes is revisited with classical molecular dynamics simulations (CMDS). The latter have been performed for a large number of molecules starting from intermolecular-potential surfaces. Contrary to the assumption made in a previous study [H. Tran, D. Bermejo, J.-L. Domenech, P. Joubert, R. R. Gamache, and J.-M. Hartmann, J. Quant. Spectrosc. Radiat. Transf. 108, 126 (2007)], 10.1016/j.jqsrt.2007.03.009, the results of these CMDS show that the velocity-orientation and -modulus changes statistically occur at the same time scale. This validates the use of a single memory parameter in the Keilson-Storer kernel to describe both the velocity-orientation and -modulus changes. The CMDS results also show that velocity- and rotational state-changing collisions are statistically partially correlated. A partially correlated speed-dependent Keilson-Storer model has thus been used to describe the line-shape. For this, the velocity changes KS kernel parameters have been directly determined from CMDS, while the speed-dependent broadening and shifting coefficients have been calculated with a semi-classical approach. Comparisons between calculated spectra and measurements of several lines of H2O broadened by N2 (and air) in the ν3 and 2ν1 + ν2 + ν3 bands for a wide range of pressure show very satisfactory agreement. The evolution of non-Voigt effects from Doppler to collisional regimes is also presented and discussed.

Lie-algebraic Approach to Dynamics of Closed Quantum Systems and Quantum-to-Classical Correspondence

NASA Astrophysics Data System (ADS)

Galitski, Victor

2012-02-01

I will briefly review our recent work on a Lie-algebraic approach to various non-equilibrium quantum-mechanical problems, which has been motivated by continuous experimental advances in the field of cold atoms. First, I will discuss non-equilibrium driven dynamics of a generic closed quantum system. It will be emphasized that mathematically a non-equilibrium Hamiltonian represents a trajectory in a Lie algebra, while the evolution operator is a trajectory in a Lie group generated by the underlying algebra via exponentiation. This turns out to be a constructive statement that establishes, in particular, the fact that classical and quantum unitary evolutions are two sides of the same coin determined uniquely by the same dynamic generators in the group. An equation for these generators - dubbed dual Schr"odinger-Bloch equation - will be derived and analyzed for a few of specific examples. This non-linear equation allows one to construct new exact non-linear solutions to quantum-dynamical systems. An experimentally-relevant example of a family of exact solutions to the many-body Landau-Zener problem will be presented. One practical application of the latter result includes dynamical means to optimize molecular production rate following a quench across the Feshbach resonance.

Two-photon momentum density in La2-xSrxCuO4 and Nd2-xCexCuO4

NASA Astrophysics Data System (ADS)

Blandin, P.; Massidda, S.; Barbiellini, B.; Jarlborg, T.; Lerch, P.; Manuel, A. A.; Hoffmann, L.; Gauthier, M.; Sadowski, W.; Walker, E.; Peter, M.; Yu, Jaejun; Freeman, A. J.

1992-07-01

We present calculations of the electron-positron momentum density for the high-Tc superconductors La2-xSrxCuO4 and Nd2-xCexCuO4, together with experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) for Nd2-xCexCuO4. The calculations are based on first-principles electronic structure obtained using the full-potential linearized augmented-plane-wave and the linear muffin-tin orbital methods. Our results indicate a non-negligible overlap of the positron wave function with the CuO2 plane electrons responsible for the Fermi surfaces in these compounds. Therefore, these compounds may be well suited for investigating Fermi-surface-related effects. After the folding of umklapp terms according to Lock, Crisp, and West, the predicted Fermi-surface breaks are mixed with strong effects induced by the positron wave function in La2-xSrxCuO4, while their resolution is better in Nd2-xCexCuO4. A comparison of our calculations with the most recent experimental results for La2-xSrxCuO4 shows good agreement. For Nd2-xCexCuO4 good agreement is observed between theoretical and experimental 2D-ACAR profiles.

Disorder-dominated linear magnetoresistance in topological insulator Bi2Se3 thin films

NASA Astrophysics Data System (ADS)

Wang, Wen Jie; Gao, Kuang Hong; Li, Qiu Lin; Li, Zhi-Qing

2017-12-01

The linear magnetoresistance (MR) effect is an interesting topic due to its potential applications. In topological insulator Bi2Se3, this effect has been reported to be dominated by the carrier mobility (μ) and hence has a classical origin. Here, we study the magnetotransport properties of Bi2Se3 thin films and observe the linear MR effect, which cannot be attributed to the quantum model. Unexpectedly, the linear MR does not show the linear dependence on μ, in conflict with the reported results. However, we find that the observed linear MR is dominated by the inverse disorder parameter 1 /kFl , where kF and l are the Fermi wave vector and the mean free path, respectively. This suggests that its origin is also classical and that no μ-dominated linear MR effect is observed which may be due to the very small μ values in our samples.

PET Pharmacokinetic Modelling

NASA Astrophysics Data System (ADS)

Müller-Schauenburg, Wolfgang; Reimold, Matthias

Positron Emission Tomography is a well-established technique that allows imaging and quantification of tissue properties in-vivo. The goal of pharmacokinetic modelling is to estimate physiological parameters, e.g. perfusion or receptor density from the measured time course of a radiotracer. After a brief overview of clinical application of PET, we summarize the fundamentals of modelling: distribution volume, Fick's principle of local balancing, extraction and perfusion, and how to calculate equilibrium data from measurements after bolus injection. Three fundamental models are considered: (i) the 1-tissue compartment model, e.g. for regional cerebral blood flow (rCBF) with the short-lived tracer [15O]water, (ii) the 2-tissue compartment model accounting for trapping (one exponential + constant), e.g. for glucose metabolism with [18F]FDG, (iii) the reversible 2-tissue compartment model (two exponentials), e.g. for receptor binding. Arterial blood sampling is required for classical PET modelling, but can often be avoided by comparing regions with specific binding with so called reference regions with negligible specific uptake, e.g. in receptor imaging. To estimate the model parameters, non-linear least square fits are the standard. Various linearizations have been proposed for rapid parameter estimation, e.g. on a pixel-by-pixel basis, for the prize of a bias. Such linear approaches exist for all three models; e.g. the PATLAK-plot for trapping substances like FDG, and the LOGAN-plot to obtain distribution volumes for reversibly binding tracers. The description of receptor modelling is dedicated to the approaches of the subsequent lecture (chapter) of Millet, who works in the tradition of Delforge with multiple-injection investigations.

Synergistic oxygen atom transfer by ruthenium complexes with non-redox metal ions.

PubMed

Lv, Zhanao; Zheng, Wenrui; Chen, Zhuqi; Tang, Zhiming; Mo, Wanling; Yin, Guochuan

2016-07-28

Non-redox metal ions can affect the reactivity of active redox metal ions in versatile biological and heterogeneous oxidation processes; however, the intrinsic roles of these non-redox ions still remain elusive. This work demonstrates the first example of the use of non-redox metal ions as Lewis acids to sharply improve the catalytic oxygen atom transfer efficiency of a ruthenium complex bearing the classic 2,2'-bipyridine ligand. In the absence of Lewis acid, the oxidation of ruthenium(ii) complex by PhI(OAc)2 generates the Ru(iv)[double bond, length as m-dash]O species, which is very sluggish for olefin epoxidation. When Ru(bpy)2Cl2 was tested as a catalyst alone, only 21.2% of cyclooctene was converted, and the yield of 1,2-epoxycyclooctane was only 6.7%. As evidenced by electronic absorption spectra and EPR studies, both the oxidation of Ru(ii) by PhI(OAc)2 and the reduction of Ru(iv)[double bond, length as m-dash]O by olefin are kinetically slow. However, adding non-redox metal ions such as Al(iii) can sharply improve the oxygen transfer efficiency of the catalyst to 100% conversion with 89.9% yield of epoxide under identical conditions. Through various spectroscopic characterizations, an adduct of Ru(iv)[double bond, length as m-dash]O with Al(iii), Ru(iv)[double bond, length as m-dash]O/Al(iii), was proposed to serve as the active species for epoxidation, which in turn generated a Ru(iii)-O-Ru(iii) dimer as the reduced form. In particular, both the oxygen transfer from Ru(iv)[double bond, length as m-dash]O/Al(iii) to olefin and the oxidation of Ru(iii)-O-Ru(iii) back to the active Ru(iv)[double bond, length as m-dash]O/Al(iii) species in the catalytic cycle can be remarkably accelerated by adding a non-redox metal, such as Al(iii). These results have important implications for the role played by non-redox metal ions in catalytic oxidation at redox metal centers as well as for the understanding of the redox mechanism of ruthenium catalysts in the oxygen atom transfer reaction.

Electrical and structural characterization of plasma polymerized polyaniline/TiO2 heterostructure diode: a comparative study of single and bilayer TiO2 thin film electrode.

PubMed

Ameen, Sadia; Akhtar, M Shaheer; Kimi, Young Soon; Yang, O-Bong; Shin, Hyung-Shik

2011-04-01

A heterostructure was fabricated using p-type plasma polymerized polyaniline (PANI) and n-type (single and bilayer) titanium dioxide (TiO2) thin film on FTO glass. The deposition of single and bilayer TiO2 thin film on FTO substrate was achieved through doctor blade followed by dip coating technique before subjected to plasma enhanced polymerization. To fabricate p-n heterostructure, a plasma polymerization of aniline was conducted using RF plasma at 13.5 MHz and at the power of 120 W on the single and bilayer TiO2 thin film electrodes. The morphological, optical and the structural characterizations revealed the formation of p-n heterostructures between PANI and TiO2 thin film. The PANI/bilayer TiO2 heterostructure showed the improved current-voltage (I-V) characteristics due to the substantial deposition of PANI molecules into the bilayer TiO2 thin film which provided good conducting pathway and reduced the degree of excitons recombination. The change of linear I-V behavior of PANI/TiO2 heterostructure to non linear behavior with top Pt contact layer confirmed the formation of Schottky contact at the interfaces of Pt layer and PANI/TiO2 thin film layers.

The Quantum Arnold Transformation for the damped harmonic oscillator: from the Caldirola-Kanai model toward the Bateman model

NASA Astrophysics Data System (ADS)

López-Ruiz, F. F.; Guerrero, J.; Aldaya, V.; Cossío, F.

2012-08-01

Using a quantum version of the Arnold transformation of classical mechanics, all quantum dynamical systems whose classical equations of motion are non-homogeneous linear second-order ordinary differential equations (LSODE), including systems with friction linear in velocity such as the damped harmonic oscillator, can be related to the quantum free-particle dynamical system. This implies that symmetries and simple computations in the free particle can be exported to the LSODE-system. The quantum Arnold transformation is given explicitly for the damped harmonic oscillator, and an algebraic connection between the Caldirola-Kanai model for the damped harmonic oscillator and the Bateman system will be sketched out.

Bose-Einstein condensation of the classical axion field in cosmology?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Davidson, Sacha; Elmer, Martin, E-mail: s.davidson@ipnl.in2p3.fr, E-mail: m.elmer@ipnl.in2p3.fr

The axion is a motivated cold dark matter candidate, which it would be interesting to distinguish from weakly interacting massive particles. Sikivie has suggested that axions could behave differently during non-linear galaxy evolution, if they form a Bose-Einstein condensate, and argues that ''gravitational thermalisation'' drives them to a Bose-Einstein condensate during the radiation dominated era. Using classical equations of motion during linear structure formation, we explore whether the gravitational interactions of axions can generate enough entropy. At linear order in G{sub N}, we interpret that the principle activities of gravity are to expand the Universe and grow density fluctuations. Tomore » quantify the rate of entropy creation we use the anisotropic stress to estimate a short dissipation scale for axions which does not confirm previous estimates of their gravitational thermalisation rate.« less

Insight into efficient image registration techniques and the demons algorithm.

PubMed

Vercauteren, Tom; Pennec, Xavier; Malis, Ezio; Perchant, Aymeric; Ayache, Nicholas

2007-01-01

As image registration becomes more and more central to many biomedical imaging applications, the efficiency of the algorithms becomes a key issue. Image registration is classically performed by optimizing a similarity criterion over a given spatial transformation space. Even if this problem is considered as almost solved for linear registration, we show in this paper that some tools that have recently been developed in the field of vision-based robot control can outperform classical solutions. The adequacy of these tools for linear image registration leads us to revisit non-linear registration and allows us to provide interesting theoretical roots to the different variants of Thirion's demons algorithm. This analysis predicts a theoretical advantage to the symmetric forces variant of the demons algorithm. We show that, on controlled experiments, this advantage is confirmed, and yields a faster convergence.

Classical r-matrices for the generalised Chern–Simons formulation of 3d gravity

NASA Astrophysics Data System (ADS)

Osei, Prince K.; Schroers, Bernd J.

2018-04-01

We study the conditions for classical r-matrices to be compatible with the generalised Chern–Simons action for 3d gravity. Compatibility means solving the classical Yang–Baxter equations with a prescribed symmetric part for each of the real Lie algebras and bilinear pairings arising in the generalised Chern–Simons action. We give a new construction of r-matrices via a generalised complexification and derive a non-linear set of matrix equations determining the most general compatible r-matrix. We exhibit new families of solutions and show that they contain some known r-matrices for special parameter values.

Regression Methods for Categorical Dependent Variables: Effects on a Model of Student College Choice

ERIC Educational Resources Information Center

Rapp, Kelly E.

2012-01-01

The use of categorical dependent variables with the classical linear regression model (CLRM) violates many of the model's assumptions and may result in biased estimates (Long, 1997; O'Connell, Goldstein, Rogers, & Peng, 2008). Many dependent variables of interest to educational researchers (e.g., professorial rank, educational attainment) are…

Diode end pumped laser and harmonic generator using same

NASA Technical Reports Server (NTRS)

Byer, Robert L. (Inventor); Dixon, George J. (Inventor); Kane, Thomas J. (Inventor)

1988-01-01

A second harmonic, optical generator is disclosed in which a laser diode produces an output pumping beam which is focused by means of a graded, refractive index rod lens into a rod of lasant material, such as Nd:YAG, disposed within an optical resonator to pump the lasant material and to excite the optical resonator at a fundamental wavelength. A non-linear electro-optic material such as MgO:LiNbO.sub.3 is coupled to the excited, fundamental mode of the optical resonator to produce a non-linear interaction with the fundamental wavelength producing a harmonic. In one embodiment, the gain medium and the non-linear material are disposed within an optical resonator defined by a pair of reflectors, one of which is formed on a face of the gain medium and the second of which is formed on a face of the non-linear medium. In another embodiment, the non-linear, electro-optic material is doped with the lasant ion such that the gain medium and the non-linear doubling material are co-extensive in volume. In another embodiment, a non-linear, doubling material is disposed in an optical resonator external of the laser gai medium for improved stability of the second harmonic generation process. In another embodiment, the laser gain medium andthe non-linear material are bonded together by means of an optically transparent cement to form a mechanically stable, monolithic structure. In another embodiment, the non-linear material has reflective faces formed thereon to define a ring resonator to decouple reflections from the non-linear medium back to the gain medium for improved stability.

Seasonal streamflow forecast with machine learning and teleconnection indices in the context non-stationary climate

NASA Astrophysics Data System (ADS)

Haguma, D.; Leconte, R.

2017-12-01

Spatial and temporal water resources variability are associated with large-scale pressure and circulation anomalies known as teleconnections that influence the pattern of the atmospheric circulation. Teleconnection indices have been used successfully to forecast streamflow in short term. However, in some watersheds, classical methods cannot establish relationships between seasonal streamflow and teleconnection indices because of weak correlation. In this study, machine learning algorithms have been applied for seasonal streamflow forecast using teleconnection indices. Machine learning offers an alternative to classical methods to address the non-linear relationship between streamflow and teleconnection indices the context non-stationary climate. Two machine learning algorithms, random forest (RF) and support vector machine (SVM), with teleconnection indices associated with North American climatology, have been used to forecast inflows for one and two leading seasons for the Romaine River and Manicouagan River watersheds, located in Quebec, Canada. The indices are Pacific-North America (PNA), North Atlantic Oscillation (NAO), El Niño-Southern Oscillation (ENSO), Arctic Oscillation (AO) and Pacific Decadal Oscillation (PDO). The results showed that the machine learning algorithms have an important predictive power for seasonal streamflow for one and two leading seasons. The RF performed better for training and SVM generally have better results with high predictive capability for testing. The RF which is an ensemble method, allowed to assess the uncertainty of the forecast. The integration of teleconnection indices responds to the seasonal forecast of streamflow in the conditions of the non-stationarity the climate, although the teleconnection indices have a weak correlation with streamflow.

The boundary condition for vertical velocity and its interdependence with surface gas exchange

NASA Astrophysics Data System (ADS)

Kowalski, Andrew S.

2017-07-01

The law of conservation of linear momentum is applied to surface gas exchanges, employing scale analysis to diagnose the vertical velocity (w) in the boundary layer. Net upward momentum in the surface layer is forced by evaporation (E) and defines non-zero vertical motion, with a magnitude defined by the ratio of E to the air density, as w = E/ρ. This is true even right down at the surface where the boundary condition is w|0 = E/ρ|0 (where w|0 and ρ|0 represent the vertical velocity and density of air at the surface). This Stefan flow velocity implies upward transport of a non-diffusive nature that is a general feature of the troposphere but is of particular importance at the surface, where it assists molecular diffusion with upward gas migration (of H2O, for example) but opposes that of downward-diffusing species like CO2 during daytime. The definition of flux-gradient relationships (eddy diffusivities) requires rectification to exclude non-diffusive transport, which does not depend on scalar gradients. At the microscopic scale, the role of non-diffusive transport in the process of evaporation from inside a narrow tube - with vapour transport into an overlying, horizontal airstream - was described long ago in classical mechanics and is routinely accounted for by chemical engineers, but has been neglected by scientists studying stomatal conductance. Correctly accounting for non-diffusive transport through stomata, which can appreciably reduce net CO2 transport and marginally boost that of water vapour, should improve characterisations of ecosystem and plant functioning.

Polynomial elimination theory and non-linear stability analysis for the Euler equations

NASA Technical Reports Server (NTRS)

Kennon, S. R.; Dulikravich, G. S.; Jespersen, D. C.

1986-01-01

Numerical methods are presented that exploit the polynomial properties of discretizations of the Euler equations. It is noted that most finite difference or finite volume discretizations of the steady-state Euler equations produce a polynomial system of equations to be solved. These equations are solved using classical polynomial elimination theory, with some innovative modifications. This paper also presents some preliminary results of a new non-linear stability analysis technique. This technique is applicable to determining the stability of polynomial iterative schemes. Results are presented for applying the elimination technique to a one-dimensional test case. For this test case, the exact solution is computed in three iterations. The non-linear stability analysis is applied to determine the optimal time step for solving Burgers' equation using the MacCormack scheme. The estimated optimal time step is very close to the time step that arises from a linear stability analysis.

Polar codes for achieving the classical capacity of a quantum channel

NASA Astrophysics Data System (ADS)

Guha, Saikat; Wilde, Mark

2012-02-01

We construct the first near-explicit, linear, polar codes that achieve the capacity for classical communication over quantum channels. The codes exploit the channel polarization phenomenon observed by Arikan for classical channels. Channel polarization is an effect in which one can synthesize a set of channels, by ``channel combining'' and ``channel splitting,'' in which a fraction of the synthesized channels is perfect for data transmission while the other fraction is completely useless for data transmission, with the good fraction equal to the capacity of the channel. Our main technical contributions are threefold. First, we demonstrate that the channel polarization effect occurs for channels with classical inputs and quantum outputs. We then construct linear polar codes based on this effect, and the encoding complexity is O(N log N), where N is the blocklength of the code. We also demonstrate that a quantum successive cancellation decoder works well, i.e., the word error rate decays exponentially with the blocklength of the code. For a quantum channel with binary pure-state outputs, such as a binary-phase-shift-keyed coherent-state optical communication alphabet, the symmetric Holevo information rate is in fact the ultimate channel capacity, which is achieved by our polar code.

Corrosion of Alloy 690 process pot by sulfate containing high level radioactive waste at feed stage

NASA Astrophysics Data System (ADS)

Sengupta, P.; Soudamini, N.; Kaushik, C. P.; Jagannath; Mishra, R. K.; Kale, G. B.; Raj, K.; Das, D.; Sharma, B. P.

2008-02-01

Prolonged exposure of Alloy 690 process pot to sulfate containing high level radioactive waste leads to (a) depletion of Cr from the alloy, (b) intergranular attack and (c) building up of Cr 2O 3-Ni 2O 3-Fe 2O 3 mixed oxide surface layer containing Na and Cs sulfate precipitates. Time dependence of material loss from Alloy 690 is found to follow a linear relationship of the type Δ w (material loss) = -7.05 + 0.05 t. Corrosion rate calculated for 2400 h exposure is 3.66 mpy. Cr and Ni leach rates obtained for the same sample are 1.61 g m -2 d -1 and 2.52 g m -2 d -1, respectively. Ni leach rates followed a linear time dependence relationship of the type dNL Ni/d t (leach rate) = -0.09 + 0.027 t, whereas Cr leach rates obeyed a non-linear relationship of the type dNL Cr/d t (leach rate) = 0.241 + 0.027 t - 1.33 × 10 -4t1/2.

Engineering non-linear resonator mode interactions in circuit QED by continuous driving: Manipulation of a photonic quantum memory

NASA Astrophysics Data System (ADS)

Reagor, Matthew; Pfaff, Wolfgang; Heeres, Reinier; Ofek, Nissim; Chou, Kevin; Blumoff, Jacob; Leghtas, Zaki; Touzard, Steven; Sliwa, Katrina; Holland, Eric; Albert, Victor V.; Frunzio, Luigi; Devoret, Michel H.; Jiang, Liang; Schoelkopf, Robert J.

2015-03-01

Recent advances in circuit QED have shown great potential for using microwave resonators as quantum memories. In particular, it is possible to encode the state of a quantum bit in non-classical photonic states inside a high-Q linear resonator. An outstanding challenge is to perform controlled operations on such a photonic state. We demonstrate experimentally how a continuous drive on a transmon qubit coupled to a high-Q storage resonator can be used to induce non-linear dynamics of the resonator. Tailoring the drive properties allows us to cancel or enhance non-linearities in the system such that we can manipulate the state stored in the cavity. This approach can be used to either counteract undesirable evolution due to the bare Hamiltonian of the system or, ultimately, to perform logical operations on the state encoded in the cavity field. Our method provides a promising pathway towards performing universal control for quantum states stored in high-coherence resonators in the circuit QED platform.

Time required for partial pressure of arterial oxygen equilibration during mechanical ventilation after a step change in fractional inspired oxygen concentration.

PubMed

Cakar, N; Tuŏrul, M; Demirarslan, A; Nahum, A; Adams, A; Akýncý, O; Esen, F; Telci, L

2001-04-01

To determine the time required for the partial pressure of arterial oxygen (PaO2) to reach equilibrium after a 0.20 increment or decrement in fractional inspired oxygen concentration (FIO2) during mechanical ventilation. A multi-disciplinary ICU in a university hospital. Twenty-five adult, non-COPD patients with stable blood gas values (PaO2/FIO2 > or = 180 on the day of the study) on pressure-controlled ventilation (PCV). Following a baseline PaO2 (PaO2b) measurement at FIO2 = 0.35, the FIO2 was increased to 0.55 for 30 min and then decreased to 0.35 without any other change in ventilatory parameters. Sequential blood gas measurements were performed at 3, 5, 7, 9, 11, 15, 20, 25 and 30 min in both periods. The PaO2 values measured at the 30th min after a step change in FIO2 (FIO2 = 0.55, PaO2[55] and FIO2 = 0.35, PaO2[35]) were accepted as representative of the equilibrium values for PaO2. Each patient's rise and fall in PaO2 over time, PaO2(t), were fitted to the following respective exponential equations: PaO2b + (PaO2[55]-PaO2b)(1-e-kt) and PaO2[55] + (PaO2[35]-PaO2[55])(e-kt) where "t" refers to time, PaO2[55] and PaO2[35] are the final PaO2 values obtained at a new FIO2 of 0.55 and 0.35, after a 0.20 increment and decrement in FIO2, respectively. Time constant "k" was determined by a non-linear fitting curve and 90% oxygenation times were defined as the time required to reach 90% of the final equilibrated PaO2 calculated by using the non-linear fitting curves. Time constant values for the rise and fall periods were 1.01 +/- 0.71 min-1, 0.69 +/- 0.42 min-1, respectively, and 90% oxygenation times for rises and falls in PaO2 periods were 4.2 +/- 4.1 min-1 and 5.5 +/- 4.8 min-1, respectively. There was no significant difference between the rise and fall periods for the two parameters (p > 0.05). We conclude that in stable patients ventilated with PCV, after a step change in FIO2 of 0.20, 5-10 min will be adequate for obtaining a blood gas sample to measure a PaO2 that will be representative of the equilibrium PaO2 value.

Cattaneo-Christov based study of {TiO}_2 -CuO/EG Casson hybrid nanofluid flow over a stretching surface with entropy generation

NASA Astrophysics Data System (ADS)

Jamshed, Wasim; Aziz, Asim

2018-06-01

In the present research, a simplified mathematical model is presented to study the heat transfer and entropy generation analysis of thermal system containing hybrid nanofluid. Nanofluid occupies the space over an infinite horizontal surface and the flow is induced by the non-linear stretching of surface. A uniform transverse magnetic field, Cattaneo-Christov heat flux model and thermal radiation effects are also included in the present study. The similarity technique is employed to reduce the governing non-linear partial differential equations to a set of ordinary differential equation. Keller Box numerical scheme is then used to approximate the solutions for the thermal analysis. Results are presented for conventional copper oxide-ethylene glycol (CuO-EG) and hybrid titanium-copper oxide/ethylene glycol ({TiO}_2 -CuO/EG) nanofluids. The spherical, hexahedron, tetrahedron, cylindrical, and lamina-shaped nanoparticles are considered in the present analysis. The significant findings of the study is the enhanced heat transfer capability of hybrid nanofluids over the conventional nanofluids, greatest heat transfer rate for the smallest value of the shape factor parameter and the increase in Reynolds number and Brinkman number increases the overall entropy of the system.

Collision cross sections and transport coefficients of O-, O2 -, O3 - and O4 - negative ions in O2, N2 and dry air for non-thermal plasmas modelling

NASA Astrophysics Data System (ADS)

Hennad, Ali; Yousfi, Mohammed

2018-02-01

The ions interaction data such as interaction potential parameters, elastic and inelastic collision cross sections and the transport coefficients (reduced mobility and diffusion coefficients) have been determined and analyzed in the case of the main negative oxygen ions (O-, O2 -, O3 - and O4 -) present in low temperature plasma at atmospheric pressure when colliding O2, N2 and dry air. The ion transport has been determined from an optimized Monte Carlo simulation using calculated elastic and experimentally fitted inelastic collision cross sections. The elastic momentum transfer collision cross sections have been calculated from a semi-classical JWKB approximation based on a ( n-4) rigid core interaction potential model. The cross sections sets involving elastic and inelastic processes were then validated using measured reduced mobility data and also diffusion coefficient whenever available in the literature. From the sets of elastic and inelastic collision cross sections thus obtained for the first time for O3-/O2, O2 -/N2, O3 -/N2, and O4 -/N2 systems, the ion transport coefficients were calculated in pure gases and dry air over a wide range of the density reduced electric field E/N.

Modifier cation effects on (29)Si nuclear shielding anisotropies in silicate glasses.

PubMed

Baltisberger, Jay H; Florian, Pierre; Keeler, Eric G; Phyo, Pyae A; Sanders, Kevin J; Grandinetti, Philip J

2016-07-01

We have examined variations in the (29)Si nuclear shielding tensor parameters of SiO4 tetrahedra in a series of seven alkali and alkaline earth silicate glass compositions, Cs2O·4.81 SiO2, Rb2O·3.96 SiO2, Rb2O·2.25 SiO2, K2O·4.48 SiO2, Na2O·4.74 SiO2, BaO·2.64 SiO2, and SrO·2.36 SiO2, using natural abundance (29)Si two-dimensional magic-angle flipping (MAF) experiments. Our analyses of these 2D spectra reveal a linear dependence of the (29)Si nuclear shielding anisotropy of Q((3)) sites on the Si-non-bridging oxygen bond length, which in turn depends on the cation potential and coordination of modifier cations to the non-bridging oxygen. We also demonstrate how a combination of Cu(2+) as a paramagnetic dopant combined with echo train acquisition can reduce the total experiment time of (29)Si 2D NMR measurements by two orders of magnitude, enabling higher throughput 2D NMR studies of glass structure. Copyright © 2016 Elsevier Inc. All rights reserved.

Novel self-organization mechanism in ultrathin liquid films: theory and experiment.

PubMed

Trice, Justin; Favazza, Christopher; Thomas, Dennis; Garcia, Hernando; Kalyanaraman, Ramki; Sureshkumar, Radhakrishna

2008-07-04

When an ultrathin metal film of thickness h (<20 nm) is melted by a nanosecond pulsed laser, the film temperature is a nonmonotonic function of h and achieves its maximum at a certain thickness h*. This is a consequence of the h and time dependence of energy absorption and heat flow. Linear stability analysis and nonlinear dynamical simulations that incorporate such intrinsic interfacial thermal gradients predict a characteristic pattern length scale Lambda that decreases for h>h*, in contrast to the classical spinodal dewetting behavior where Lambda increases monotonically as h2. These predictions agree well with experimental observations for Co and Fe films on SiO2.

Assessing the Liquidity of Firms: Robust Neural Network Regression as an Alternative to the Current Ratio

NASA Astrophysics Data System (ADS)

de Andrés, Javier; Landajo, Manuel; Lorca, Pedro; Labra, Jose; Ordóñez, Patricia

Artificial neural networks have proven to be useful tools for solving financial analysis problems such as financial distress prediction and audit risk assessment. In this paper we focus on the performance of robust (least absolute deviation-based) neural networks on measuring liquidity of firms. The problem of learning the bivariate relationship between the components (namely, current liabilities and current assets) of the so-called current ratio is analyzed, and the predictive performance of several modelling paradigms (namely, linear and log-linear regressions, classical ratios and neural networks) is compared. An empirical analysis is conducted on a representative data base from the Spanish economy. Results indicate that classical ratio models are largely inadequate as a realistic description of the studied relationship, especially when used for predictive purposes. In a number of cases, especially when the analyzed firms are microenterprises, the linear specification is improved by considering the flexible non-linear structures provided by neural networks.

Linearly first- and second-order, unconditionally energy stable schemes for the phase field crystal model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yang, Xiaofeng, E-mail: xfyang@math.sc.edu; Han, Daozhi, E-mail: djhan@iu.edu

2017-02-01

In this paper, we develop a series of linear, unconditionally energy stable numerical schemes for solving the classical phase field crystal model. The temporal discretizations are based on the first order Euler method, the second order backward differentiation formulas (BDF2) and the second order Crank–Nicolson method, respectively. The schemes lead to linear elliptic equations to be solved at each time step, and the induced linear systems are symmetric positive definite. We prove that all three schemes are unconditionally energy stable rigorously. Various classical numerical experiments in 2D and 3D are performed to validate the accuracy and efficiency of the proposedmore » schemes.« less

Non-invasive measurement of the mean alveolar O(2) tension from the oxygen uptake versus tidal volume curve.

PubMed

Jordanoglou, J; Latsi, P; Chroneou, A; Koulouris, N G

2007-10-01

The classical equations for measuring the mean and the ideal alveolar O(2) tension are based on assumptions, which are shown to be invalid. So we thought to develop a new, non-invasive method for measuring the mean alveolar P,O(2) within the volume domain (PA,O(2(Bohr))). This method is based on the oxygen uptake vs. tidal volume curve (VO(2) vs. VT) obtained during tidal breathing of room air and/or air enriched with oxygen. PA,O(2(Bohr)) and the ideal alveolar PO(2) (PA,O(2(ideal))) were simultaneously measured in 10 healthy subjects and 34 patients suffering from chronic obstructive pulmonary disease (COPD) breathing tidally room air at rest. Additionally, 10 subjects (three healthy subjects and seven COPD patients) were studied while breathing initially room air and subsequently air enriched with oxygen. According to the results, PA,O(2(Bohr)) considerably differed from PA,O(2(ideal)) (P = 0.004). The cause of the difference, at the individual's R, is: (1) the difference between the arterial and Bohr's alveolar CO(2) tension, mainly in COPD patients, and (2) the inequality between Bohr's alveolar part of the tidal volume for CO(2) and O(2). Furthermore, end-tidal gas tension (PET,CO(2) and PET,O(2)) differed from Pa,CO(2) and PA,O(2(Bohr)) respectively. The deviation of PA,O(2(Bohr)) from PA,O(2(ideal)) has a definite impact on Bohr's dead space ratio for O(2) and CO(2), and on the alveolar-arterial O(2) difference. The difference (PA,O(2(Bohr)) - PA,O(2(ideal))) is not related to the pathology of the disease. So, gas exchange within the lungs should be assessed at the subject's R from PA,O(2(Bohr)) and PA,CO(2(Bohr)) but not from PA,O(2(ideal)) nor Pa,CO(2).

Inferring climate variability from skewed proxy records

NASA Astrophysics Data System (ADS)

Emile-Geay, J.; Tingley, M.

2013-12-01

Many paleoclimate analyses assume a linear relationship between the proxy and the target climate variable, and that both the climate quantity and the errors follow normal distributions. An ever-increasing number of proxy records, however, are better modeled using distributions that are heavy-tailed, skewed, or otherwise non-normal, on account of the proxies reflecting non-normally distributed climate variables, or having non-linear relationships with a normally distributed climate variable. The analysis of such proxies requires a different set of tools, and this work serves as a cautionary tale on the danger of making conclusions about the underlying climate from applications of classic statistical procedures to heavily skewed proxy records. Inspired by runoff proxies, we consider an idealized proxy characterized by a nonlinear, thresholded relationship with climate, and describe three approaches to using such a record to infer past climate: (i) applying standard methods commonly used in the paleoclimate literature, without considering the non-linearities inherent to the proxy record; (ii) applying a power transform prior to using these standard methods; (iii) constructing a Bayesian model to invert the mechanistic relationship between the climate and the proxy. We find that neglecting the skewness in the proxy leads to erroneous conclusions and often exaggerates changes in climate variability between different time intervals. In contrast, an explicit treatment of the skewness, using either power transforms or a Bayesian inversion of the mechanistic model for the proxy, yields significantly better estimates of past climate variations. We apply these insights in two paleoclimate settings: (1) a classical sedimentary record from Laguna Pallcacocha, Ecuador (Moy et al., 2002). Our results agree with the qualitative aspects of previous analyses of this record, but quantitative departures are evident and hold implications for how such records are interpreted, and compared to other proxy records. (2) a multiproxy reconstruction of temperature over the Common Era (Mann et al., 2009), where we find that about one third of the records display significant departures from normality. Accordingly, accounting for skewness in proxy predictors has a notable influence on both reconstructed global mean and spatial patterns of temperature change. Inferring climate variability from skewed proxy records thus requires cares, but can be done with relatively simple tools. References - Mann, M. E., Z. Zhang, S. Rutherford, R. S. Bradley, M. K. Hughes, D. Shindell, C. Ammann, G. Faluvegi, and F. Ni (2009), Global signatures and dynamical origins of the little ice age and medieval climate anomaly, Science, 326(5957), 1256-1260, doi:10.1126/science.1177303. - Moy, C., G. Seltzer, D. Rodbell, and D. Anderson (2002), Variability of El Niño/Southern Oscillation activ- ity at millennial timescales during the Holocene epoch, Nature, 420(6912), 162-165.

The Integration of Social-Ecological Resilience and Law

EPA Science Inventory

Growing recognition of the inherent uncertainty associated with the dynamics of ecological systems and their often non-linear and surprising behavior, however, presents a set of problems outside the scope of classic environmental law, and has lead to a fundamental understanding a...

A VLT/UVES spectroscopy study of O2 stars in the LMC

NASA Astrophysics Data System (ADS)

Doran, Emile I.; Crowther, Paul A.

2011-01-01

We have analysed VLT/UVES spectra of six O2 stars within the Large Magellanic Cloud using the non-LTE atmospheric code CMFGEN. A range of physical properties was determined by employing a temperature calibration based upon N IV - N V diagnostics. Wind properties were also obtained from the Hα line, while CNO surface abundances were supplied through various diagnostics. Our results reveal effective temperatures in excess of T_{eff} ˜50 kK in all cases. We also addressed their evolutionary status and favour a mass dependent division. For lower masses ≤100 M⊙Mar, an O2 star follows the classical sequence, evolving from dwarf on to giant, through to supergiant. At higher masses, the dwarf phase may be circumvented and instead O2 stars begin their lives as giants or supergiants, evolving to the H-rich WN stage within ˜1.5 Myr.

Newtonian CAFE: a new ideal MHD code to study the solar atmosphere

NASA Astrophysics Data System (ADS)

González, J. J.; Guzmán, F.

2015-12-01

In this work we present a new independent code designed to solve the equations of classical ideal magnetohydrodynamics (MHD) in three dimensions, submitted to a constant gravitational field. The purpose of the code centers on the analysis of solar phenomena within the photosphere-corona region. In special the code is capable to simulate the propagation of impulsively generated linear and non-linear MHD waves in the non-isothermal solar atmosphere. We present 1D and 2D standard tests to demonstrate the quality of the numerical results obtained with our code. As 3D tests we present the propagation of MHD-gravity waves and vortices in the solar atmosphere. The code is based on high-resolution shock-capturing methods, uses the HLLE flux formula combined with Minmod, MC and WENO5 reconstructors. The divergence free magnetic field constraint is controlled using the Flux Constrained Transport method.

[Cardiopulmonary dynamics during a maximal exertion test in Mexican endurance athletes].

PubMed

Padilla, J; Martínez, E; Olvera, G; Ojeda Cruz, P; Caudillo Pérez, D

2000-01-01

To search for cardiopulmonary (CP) kinetic and dynamic differences between Mexican resistance athletes (RES = 10) and non athletes (NON = 19). From the expired volume (Ve), measured by an open circuit spirometry, we calculated both VO2 and VCO2 during stress test while the volunteer pedalled seated on an electronic cycloergometer that started at 50 W.2 min-1 followed by increments of 25 W.2 min-1 each, until VO2máx was reached. The exercise transient time course (min) response (VO2, VCO2, Ve and heart rate, HR; and also O2 pulse, PulO2) was transformed to seconds and modelled by computer using linear regression technique by the interactive minimum squares method, and the mean response time (MRT) was used as an overall kinetic CP parameter. The transient MRTs for VO2, VCO2 and Ve were slow in RES compared to NON. While the transient CP dynamics in NON lasted MRT_VO2 < (MRT_PulO2, MRT_FC) < MRT_VCO2 < MRT_Ve; the RES: both MRT_PulO2 and MRT_HR shifted to the right ((MRT_VO2, MRT_VCO2) < (MRT_PulO2, MRT_FC) < MRT_Ve). The relationships between the best sport profit mean velocity and both the MRT_VO2, MRT_VCO2 and MRT_PulO2 (GEK = gas exchange kinetics) showed fast_RES and slow_GEK, and slow_RES and fast_GEK. The transient CP kinetics was slow in RES compared NON. It is possible to distinguish cardiopulmonary kinetic differences among resistance athletes holding different sport profiles.

Fractal dimension and nonlinear dynamical processes

NASA Astrophysics Data System (ADS)

McCarty, Robert C.; Lindley, John P.

1993-11-01

Mandelbrot, Falconer and others have demonstrated the existence of dimensionally invariant geometrical properties of non-linear dynamical processes known as fractals. Barnsley defines fractal geometry as an extension of classical geometry. Such an extension, however, is not mathematically trivial Of specific interest to those engaged in signal processing is the potential use of fractal geometry to facilitate the analysis of non-linear signal processes often referred to as non-linear time series. Fractal geometry has been used in the modeling of non- linear time series represented by radar signals in the presence of ground clutter or interference generated by spatially distributed reflections around the target or a radar system. It was recognized by Mandelbrot that the fractal geometries represented by man-made objects had different dimensions than the geometries of the familiar objects that abound in nature such as leaves, clouds, ferns, trees, etc. The invariant dimensional property of non-linear processes suggests that in the case of acoustic signals (active or passive) generated within a dispersive medium such as the ocean environment, there exists much rich structure that will aid in the detection and classification of various objects, man-made or natural, within the medium.

Colombeau algebra as a mathematical tool for investigating step load and step deformation of systems of nonlinear springs and dashpots

NASA Astrophysics Data System (ADS)

Průša, Vít; Řehoř, Martin; Tůma, Karel

2017-02-01

The response of mechanical systems composed of springs and dashpots to a step input is of eminent interest in the applications. If the system is formed by linear elements, then its response is governed by a system of linear ordinary differential equations. In the linear case, the mathematical method of choice for the analysis of the response is the classical theory of distributions. However, if the system contains nonlinear elements, then the classical theory of distributions is of no use, since it is strictly limited to the linear setting. Consequently, a question arises whether it is even possible or reasonable to study the response of nonlinear systems to step inputs. The answer is positive. A mathematical theory that can handle the challenge is the so-called Colombeau algebra. Building on the abstract result by Průša and Rajagopal (Int J Non-Linear Mech 81:207-221, 2016), we show how to use the theory in the analysis of response of nonlinear spring-dashpot and spring-dashpot-mass systems.

Quantum chemical calculations of Cr2O3/SnO2 using density functional theory method

NASA Astrophysics Data System (ADS)

Jawaher, K. Rackesh; Indirajith, R.; Krishnan, S.; Robert, R.; Das, S. Jerome

2018-03-01

Quantum chemical calculations have been employed to study the molecular effects produced by Cr2O3/SnO2 optimised structure. The theoretical parameters of the transparent conducting metal oxides were calculated using DFT / B3LYP / LANL2DZ method. The optimised bond parameters such as bond lengths, bond angles and dihedral angles were calculated using the same theory. The non-linear optical property of the title compound was calculated using first-order hyperpolarisability calculation. The calculated HOMO-LUMO analysis explains the charge transfer interaction between the molecule. In addition, MEP and Mulliken atomic charges were also calculated and analysed.

Electromagnetic fields with vanishing quantum corrections

NASA Astrophysics Data System (ADS)

Ortaggio, Marcello; Pravda, Vojtěch

2018-04-01

We show that a large class of null electromagnetic fields are immune to any modifications of Maxwell's equations in the form of arbitrary powers and derivatives of the field strength. These are thus exact solutions to virtually any generalized classical electrodynamics containing both non-linear terms and higher derivatives, including, e.g., non-linear electrodynamics as well as QED- and string-motivated effective theories. This result holds not only in a flat or (anti-)de Sitter background, but also in a larger subset of Kundt spacetimes, which allow for the presence of aligned gravitational waves and pure radiation.

Non-Gaussian statistics and nanosecond dynamics of electrostatic fluctuations affecting optical transitions in proteins.

PubMed

Martin, Daniel R; Matyushov, Dmitry V

2012-08-30

We show that electrostatic fluctuations of the protein-water interface are globally non-Gaussian. The electrostatic component of the optical transition energy (energy gap) in a hydrated green fluorescent protein is studied here by classical molecular dynamics simulations. The distribution of the energy gap displays a high excess in the breadth of electrostatic fluctuations over the prediction of the Gaussian statistics. The energy gap dynamics include a nanosecond component. When simulations are repeated with frozen protein motions, the statistics shifts to the expectations of linear response and the slow dynamics disappear. We therefore suggest that both the non-Gaussian statistics and the nanosecond dynamics originate largely from global, low-frequency motions of the protein coupled to the interfacial water. The non-Gaussian statistics can be experimentally verified from the temperature dependence of the first two spectral moments measured at constant-volume conditions. Simulations at different temperatures are consistent with other indicators of the non-Gaussian statistics. In particular, the high-temperature part of the energy gap variance (second spectral moment) scales linearly with temperature and extrapolates to zero at a temperature characteristic of the protein glass transition. This result, violating the classical limit of the fluctuation-dissipation theorem, leads to a non-Boltzmann statistics of the energy gap and corresponding non-Arrhenius kinetics of radiationless electronic transitions, empirically described by the Vogel-Fulcher-Tammann law.

Ferroelectric KNbO3 nanofibers: synthesis, characterization and their application as a humidity nanosensor

NASA Astrophysics Data System (ADS)

Ganeshkumar, Rajasekaran; Sopiha, Kostiantyn V.; Wu, Ping; Cheah, Chin Wei; Zhao, Rong

2016-09-01

By virtue of its non-toxicity, high T c, and non-linear optical and ferroelectric properties, one-dimensional (1D) potassium niobate (KNbO3) may enable the development of numerous nanoscale devices. Despite the progress in 1D perovskite materials, preparing high aspect ratio KNbO3 nanostructures is still a concern. This report presents the successful synthesis of ultra-long KNbO3 nanofibers using a simple sol-gel assisted far-field electrospinning process. At optimized conditions, centimeters long, orthorhombic KNbO3 nanofibers with an average diameter of 100 nm have been obtained. The nanofibers are composed of uniform grains densely stacked along the direction of the nanofiber axis. Due to large surface-volume ratio, a high sensitive humidity nanosensor based on KNbO3 nanofibers displaying a logarithmic-linear dependence behavior of the conductance with the relative humidity (RH) was demonstrated. The conductance increases dramatically from 10-10 ℧ to 10-6 ℧ while RH varies from 15% to 95% at room temperature. In addition, the nanosensor exhibits excellent sensing performance, including ultrafast response (≤2 s) and recovery times (≤10 s), good linearity and reproducibility. Furthermore, the change in ferroelectric coercivity with respect to the RH and its effect in the sensing behavior were unveiled. This work could enable broad applications in the fields of environmental sensing and nano-electrical-mechanical systems.

Step tunneling enhanced asymmetry in metal-insulator-insulator-metal (MIIM) diodes for rectenna applications

NASA Astrophysics Data System (ADS)

Alimardani, N.; Conley, J. F.

2013-09-01

We combine nanolaminate bilayer insulator tunnel barriers (Al2O3/HfO2, HfO2/Al2O3, Al2O3/ZrO2) deposited via atomic layer deposition (ALD) with asymmetric work function metal electrodes to produce MIIM diodes with enhanced I-V asymmetry and non-linearity. We show that the improvements in MIIM devices are due to step tunneling rather than resonant tunneling. We also investigate conduction processes as a function of temperature in MIM devices with Nb2O5 and Ta2O5 high electron affinity insulators. For both Nb2O5 and Ta2O5 insulators, the dominant conduction process is established as Schottky emission at small biases and Frenkel-Poole emission at large biases. The energy depth of the traps that dominate Frenkel-Poole emission in each material are estimated.

Sensing nitrous oxide with QCL-coupled silicon-on-sapphire ring resonators.

PubMed

Smith, Clinton J; Shankar, Raji; Laderer, Matthew; Frish, Michael B; Loncar, Marko; Allen, Mark G

2015-03-09

We report the initial evaluation of a mid-infrared QCL-coupled silicon-on-sapphire ring resonator gas sensor. The device probes the N(2)O 2241.79 cm(-1) optical transition (R23 line) in the ν(3) vibrational band. N(2)O concentration is deduced using a non-linear least squares fit, based on coupled-mode theory, of the change in ring resonator Q due to gas absorption losses in the evanescent portion of the waveguide optical mode. These early experiments demonstrated response to 5000 ppmv N(2)O.

Resistive and Capacitive Memory Effects in Oxide Insulator/ Oxide Conductor Hetero-Structures

NASA Astrophysics Data System (ADS)

Meyer, Rene; Miao, Maosheng; Wu, Jian; Chevallier, Christophe

2013-03-01

We report resistive and capacitive memory effects observed in oxide insulator/ oxide conductor hetero-structures. Electronic transport properties of Pt/ZrO2/PCMO/Pt structures with ZrO2 thicknesses ranging from 20A to 40A are studied before and after applying short voltage pulses of positive and negative polarity for set and reset operation. As processed devices display a non-linear IV characteristic which we attribute to trap assisted tunneling through the ZrO2 tunnel oxide. Current scaling with electrode area and tunnel oxide thickness confirms uniform conduction. The set/reset operation cause an up/down shift of the IV characteristic indicating that the conduction mechanism of both states is still dominated by tunneling. A change in the resistance is associated with a capacitance change of the device. An exponential relation between program voltages and set times is found. A model based on electric field mediated non-linear transport of oxygen ions across the ZrO2/PCMO interface is proposed. The change in the tunnel current is explained by ionic charge transfer between tunnel oxide and conductive metal oxide changing both tunnel barrier height and PCMO conductivity. DFT techniques are employed to explain the conductivity change in the PCMO interfacial layer observed through capacitance measurements.

High-order Newton-penalty algorithms

NASA Astrophysics Data System (ADS)

Dussault, Jean-Pierre

2005-10-01

Recent efforts in differentiable non-linear programming have been focused on interior point methods, akin to penalty and barrier algorithms. In this paper, we address the classical equality constrained program solved using the simple quadratic loss penalty function/algorithm. The suggestion to use extrapolations to track the differentiable trajectory associated with penalized subproblems goes back to the classic monograph of Fiacco & McCormick. This idea was further developed by Gould who obtained a two-steps quadratically convergent algorithm using prediction steps and Newton correction. Dussault interpreted the prediction step as a combined extrapolation with respect to the penalty parameter and the residual of the first order optimality conditions. Extrapolation with respect to the residual coincides with a Newton step.We explore here higher-order extrapolations, thus higher-order Newton-like methods. We first consider high-order variants of the Newton-Raphson method applied to non-linear systems of equations. Next, we obtain improved asymptotic convergence results for the quadratic loss penalty algorithm by using high-order extrapolation steps.

Evolution of Wigner function in laser process under the action of linear resonance force and its application

NASA Astrophysics Data System (ADS)

Dao-ming, Lu

2018-05-01

The negativity of Wigner function (WF) is one of the important symbols of non-classical properties of light field. Therefore, it is of great significance to study the evolution of WF in dissipative process. The evolution formula of WF in laser process under the action of linear resonance force is given by virtue of thermo entangled state representation and the technique of integration within an ordered product of operator. As its application, the evolution of WF of thermal field and that of single-photon-added coherent state are discussed. The results show that the WF of thermal field maintains its original character. On the other hand, the negative region size and the depth of negativity of WF of single- photon-added coherent state decrease until it vanishes with dissipation. This shows that the non-classical property of single-photon-added coherent state is weakened, until it disappears with dissipation time increasing.

LaAlO3: A substrate material with unusual ferroelastic properties

NASA Astrophysics Data System (ADS)

Kustov, S.; Liubimova, Iu.; Salje, E. K. H.

2018-01-01

Twin boundary dynamics in LaAlO3 is associated with non-linear anelasticity. Ultrasonic studies of non-linear twin boundary dynamics between 80 and 520 K show that cooling substrates from temperatures near the ferroelastic transition at 813 K generate three characteristic thermal regimes with different non-linear dynamics. Twin boundaries are initially highly mobile. Anelastic strain amplitudes versus stress are power law distributed with an exponent of 2.5. No de-pinning was found down to elastic strain amplitudes of ɛ0 ˜ 10-7. The power law is gradually replaced between 370 K and 280 K by few large singularities (jerks) due to massive rearrangements of the domain structure for ɛ0 larger than ca. 5 × 10-5. At lower temperatures, the domain structure is pinned with well-defined thresholds for de-pinning. The de-pinning is not accompanied by global rearrangements of twin patterns below room temperature. Unexpectedly, the low-temperature critical de-pinning strain amplitude decreases with decreasing temperature, which may indicate an additional, so far unknown phase transition near 40 K.

Resurgence and dynamics of O(N) and Grassmannian sigma models

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dunne, Gerald V.; Unsal, Mithat

Here, we study the non-perturbative dynamics of the two dimensional O( N) and Grassmannian sigma models by using compactification with twisted boundary conditions on R× S 1, semi-classical techniques and resurgence. While the O(N) model has no instantons for N > 3, it has (non-instanton) saddles on R 2, which we call 2d-saddles. On R× S 1, the resurgent relation between perturbation theory and non-perturbative physics is encoded in new saddles, which are associated with the affine root system of the o( N) algebra. These events may be viewed as fractionalizations of the 2d-saddles. The first beta function coefficient, givenmore » by the dual Coxeter number, can then be intepreted as the sum of the multiplicities (dual Kac labels) of these fractionalized objects. Surprisingly, the new saddles in O( N) models in compactified space are in one-to-one correspondence with monopole-instanton saddles in SO( N) gauge theory on R 3×S 1. The Grassmannian sigma models Gr( N, M) have 2d instantons, which fractionalize into N kink-instantons. The small circle dynamics of both sigma models can be described as a dilute gas of the one-events and two-events, bions. One-events are the leading source of a variety of non-perturbative effects, and produce the strong scale of the 2d theory in the compactified theory. We show that in both types of sigma models the neutral bion emulates the role of IR-renormalons. We also study the topological theta angle dependence in both the O(3) model and Gr( N, M), and describe the multi-branched structure of the observables in terms of the theta-angle dependence of the saddle amplitudes, providing a microscopic argument for Haldane’s conjecture.« less

Resurgence and dynamics of O(N) and Grassmannian sigma models

DOE PAGES

Dunne, Gerald V.; Unsal, Mithat

2015-09-29

Here, we study the non-perturbative dynamics of the two dimensional O( N) and Grassmannian sigma models by using compactification with twisted boundary conditions on R× S 1, semi-classical techniques and resurgence. While the O(N) model has no instantons for N > 3, it has (non-instanton) saddles on R 2, which we call 2d-saddles. On R× S 1, the resurgent relation between perturbation theory and non-perturbative physics is encoded in new saddles, which are associated with the affine root system of the o( N) algebra. These events may be viewed as fractionalizations of the 2d-saddles. The first beta function coefficient, givenmore » by the dual Coxeter number, can then be intepreted as the sum of the multiplicities (dual Kac labels) of these fractionalized objects. Surprisingly, the new saddles in O( N) models in compactified space are in one-to-one correspondence with monopole-instanton saddles in SO( N) gauge theory on R 3×S 1. The Grassmannian sigma models Gr( N, M) have 2d instantons, which fractionalize into N kink-instantons. The small circle dynamics of both sigma models can be described as a dilute gas of the one-events and two-events, bions. One-events are the leading source of a variety of non-perturbative effects, and produce the strong scale of the 2d theory in the compactified theory. We show that in both types of sigma models the neutral bion emulates the role of IR-renormalons. We also study the topological theta angle dependence in both the O(3) model and Gr( N, M), and describe the multi-branched structure of the observables in terms of the theta-angle dependence of the saddle amplitudes, providing a microscopic argument for Haldane’s conjecture.« less

Compendium of Operations Research and Economic Analysis Studies

DTIC Science & Technology

1992-10-01

were to: (1) review and document current po~icios and procedures, k2) identity relevant economic and non -economic decision vAriibles, (3) design a...minimize the total sample size while ensuring that the proportion of samples closely resembled the actual population proportions. Both linear and non ...would cost about $290.00. DLA-92-PlO10. Impact of Increasing the Non -Competitive Threshold from Index No. 92-26 $2,500 to $5,000 (October 1991) In

Does ℏ play a role in multidimensional spectroscopy? Reduced hierarchy equations of motion approach to molecular vibrations.

PubMed

Sakurai, Atsunori; Tanimura, Yoshitaka

2011-04-28

To investigate the role of quantum effects in vibrational spectroscopies, we have carried out numerically exact calculations of linear and nonlinear response functions for an anharmonic potential system nonlinearly coupled to a harmonic oscillator bath. Although one cannot carry out the quantum calculations of the response functions with full molecular dynamics (MD) simulations for a realistic system which consists of many molecules, it is possible to grasp the essence of the quantum effects on the vibrational spectra by employing a model Hamiltonian that describes an intra- or intermolecular vibrational motion in a condensed phase. The present model fully includes vibrational relaxation, while the stochastic model often used to simulate infrared spectra does not. We have employed the reduced quantum hierarchy equations of motion approach in the Wigner space representation to deal with nonperturbative, non-Markovian, and nonsecular system-bath interactions. Taking the classical limit of the hierarchy equations of motion, we have obtained the classical equations of motion that describe the classical dynamics under the same physical conditions as in the quantum case. By comparing the classical and quantum mechanically calculated linear and multidimensional spectra, we found that the profiles of spectra for a fast modulation case were similar, but different for a slow modulation case. In both the classical and quantum cases, we identified the resonant oscillation peak in the spectra, but the quantum peak shifted to the red compared with the classical one if the potential is anharmonic. The prominent quantum effect is the 1-2 transition peak, which appears only in the quantum mechanically calculated spectra as a result of anharmonicity in the potential or nonlinearity of the system-bath coupling. While the contribution of the 1-2 transition is negligible in the fast modulation case, it becomes important in the slow modulation case as long as the amplitude of the frequency fluctuation is small. Thus, we observed a distinct difference between the classical and quantum mechanically calculated multidimensional spectra in the slow modulation case where spectral diffusion plays a role. This fact indicates that one may not reproduce the experimentally obtained multidimensional spectrum for high-frequency vibrational modes based on classical molecular dynamics simulations if the modulation that arises from surrounding molecules is weak and slow. A practical way to overcome the difference between the classical and quantum simulations was discussed.

Induction of Chromosomal Aberrations at Fluences of Less Than One HZE Particle per Cell Nucleus

NASA Technical Reports Server (NTRS)

Hada, Megumi; Chappell, Lori J.; Wang, Minli; George, Kerry A.; Cucinotta, Francis A.

2014-01-01

The assumption of a linear dose response used to describe the biological effects of high LET radiation is fundamental in radiation protection methodologies. We investigated the dose response for chromosomal aberrations for exposures corresponding to less than one particle traversal per cell nucleus by high energy and charge (HZE) nuclei. Human fibroblast and lymphocyte cells where irradiated with several low doses of <0.1 Gy, and several higher doses of up to 1 Gy with O (77 keV/ (long-s)m), Si (99 keV/ (long-s)m), Fe (175 keV/ (long-s)m), Fe (195 keV/ (long-s)m) or Fe (240 keV/ (long-s)m) particles. Chromosomal aberrations at first mitosis were scored using fluorescence in situ hybridization (FISH) with chromosome specific paints for chromosomes 1, 2 and 4 and DAPI staining of background chromosomes. Non-linear regression models were used to evaluate possible linear and non-linear dose response models based on these data. Dose responses for simple exchanges for human fibroblast irradiated under confluent culture conditions were best fit by non-linear models motivated by a non-targeted effect (NTE). Best fits for the dose response data for human lymphocytes irradiated in blood tubes were a NTE model for O and a linear response model fit best for Si and Fe particles. Additional evidence for NTE were found in low dose experiments measuring gamma-H2AX foci, a marker of double strand breaks (DSB), and split-dose experiments with human fibroblasts. Our results suggest that simple exchanges in normal human fibroblasts have an important NTE contribution at low particle fluence. The current and prior experimental studies provide important evidence against the linear dose response assumption used in radiation protection for HZE particles and other high LET radiation at the relevant range of low doses.

catena-Poly[[[tetra­kis(μ-2-butenoato)dicopper(II)]-μ-2-butenoato-[diaqua­(2-butenoato)holmium(III)]-di-μ-2-butenoato-[diaqua­(2-butenoato)holmium(III)]-μ-2-butenoato] trihydrate

PubMed Central

Perec, Mireille; Garland, Maria Teresa; Baggio, Ricardo

2008-01-01

The title compound {[Cu2Ho2(C4H5O2)10(H2O)4]·3H2O}n, is a one-dimensional 3d/4f organic–inorganic hybrid complex, the HoIII member of the isotypic lanthanoid series with Ln = GdIII, ErIII and YIII. The structure shows an alternation of Cu2 and Ho2 dinuclear units bridged by the ligands and hydrogen bonds only. The chains are composed of Cu2 classical dinuclear η1:η1:μ2 fourfold bridges [Cu⋯Cu = 2.6417 (9) Å] and of Ho2 units bridged by two η2:η1:μ2 carboxyl­ate units. This results in distorted square-based pyramidal CuO5 units and irregular HoO9 units. The alternating Cu2 and Ho2 units are bridged into linear arrays along the a axis by a set of one η2:η1:μ2 carboxyl­ate O atom and two hydrogen bonds with Cu⋯Ho separations of 4.4883 (10) and 4.5086 (10) Å. The distance between adjacent chains, as calculated by the closest and furthest distances between two chains, covers the range 10–14 Å. The H atoms of the water mol­ecules could not be located, but the O⋯O separations for these species suggest the presence of O—H⋯O hydrogen bonds. PMID:21580901

Analytical exploration of a TiO2 nanofluid along a rotating disk with homogeneous-heterogeneous chemical reactions and non-uniform heat source/sink

NASA Astrophysics Data System (ADS)

Das, Kalidas; Chakraborty, Tanmoy; Kumar Kundu, Prabir

2017-12-01

Comparative flow features of two different nanofluids containing TiO2 nanoparticles along a rotating disk near a stagnation point are theoretically addressed here. The primary fluids are presumed as ethylene glycol and water. The influences of non-uniform heat absorption/generation with homogeneous and heterogeneous chemical reactions have been integrated to modify the energy and concentration profiles. By virtue of similarity conversions, the leading partial differential system has been standardized into non-linear ODEs and then cracked analytically by NDM and numerically by RK-4 based shooting practice. Impressions of emerging parameters on the flow regime have been reported by tables and graphs coupled with required discussions. One of our results predicts that, with the augmentation of TiO2 nanoparticles concentration, the rate of heat transport for ethylene glycol nanofluid becomes 30-36% higher compared to that of a water nanofluid.

Development of iterative techniques for the solution of unsteady compressible viscous flows

NASA Technical Reports Server (NTRS)

Sankar, Lakshmi N.; Hixon, Duane

1992-01-01

The development of efficient iterative solution methods for the numerical solution of two- and three-dimensional compressible Navier-Stokes equations is discussed. Iterative time marching methods have several advantages over classical multi-step explicit time marching schemes, and non-iterative implicit time marching schemes. Iterative schemes have better stability characteristics than non-iterative explicit and implicit schemes. In this work, another approach based on the classical conjugate gradient method, known as the Generalized Minimum Residual (GMRES) algorithm is investigated. The GMRES algorithm has been used in the past by a number of researchers for solving steady viscous and inviscid flow problems. Here, we investigate the suitability of this algorithm for solving the system of non-linear equations that arise in unsteady Navier-Stokes solvers at each time step.

Precise measurement of coupling strength and high temperature quantum effect in a nonlinearly coupled qubit-oscillator system

NASA Astrophysics Data System (ADS)

Ge, Li; Zhao, Nan

2018-04-01

We study the coherence dynamics of a qubit coupled to a harmonic oscillator with both linear and quadratic interactions. As long as the linear coupling strength is much smaller than the oscillator frequency, the long time behavior of the coherence is dominated by the quadratic coupling strength g 2. The coherence decays and revives at a period , with the width of coherence peak decreasing as the temperature increases, hence providing a way to measure g 2 precisely without cooling. Unlike the case of linear coupling, here the coherence dynamics never reduces to the classical limit in which the oscillator is classical. Finally, the validity of linear coupling approximation is discussed and the coherence under Hahn-echo is evaluated.

Vertically grown zinc oxide nanorods functionalized with ferric oxide for in vivo and non-enzymatic glucose detection

NASA Astrophysics Data System (ADS)

Marie, Mohammed; Manoharan, Anishkumar; Kuchuk, Andrian; Ang, Simon; Manasreh, M. O.

2018-03-01

An enzyme-free glucose sensor based on vertically grown zinc oxide nanorods (NRs) functionalized with ferric oxide (Fe2O3) is investigated. The well-aligned and high density ZnO NRs were synthesized on an FTO/glass substrate by a sol-gel and hydrothermal growth method. A dip-coating technique was utilized to modify the surface of the as-grown ZnO NRs with Fe2O3. The immobilized surface was coated with a layer of nafion membrane. The fabricated glucose sensor was characterized amperometrically at room temperature using three electrodes stationed in the phosphate buffer solution, where ZnO NRs/Fe2O3/nafion membrane was the sensing or working electrode, and platinum plate and silver/silver chloride were used as the counter and reference electrodes, respectively. The proposed non-enzymatic and modified glucose sensor exhibited a high sensitivity in the order of 0.052 μA cm-2 (mg/dL)-1, a lower detection limit of around 0.95 mmol L-1, a sharp and fast response time of ˜1 s, and a linear response to changes in glucose concentrations from 100-400 mg dL-1. The linear amperometric response of the sensor covers the physiological and clinical interest of glucose levels for diabetic patients. The device continues to function accurately after multiple measurements with a good reproducibility. The proposed glucose sensor is expected to be used clinically for in vivo monitoring of glucose.

A look-ahead variant of the Lanczos algorithm and its application to the quasi-minimal residual method for non-Hermitian linear systems. Ph.D. Thesis - Massachusetts Inst. of Technology, Aug. 1991

NASA Technical Reports Server (NTRS)

Nachtigal, Noel M.

1991-01-01

The Lanczos algorithm can be used both for eigenvalue problems and to solve linear systems. However, when applied to non-Hermitian matrices, the classical Lanczos algorithm is susceptible to breakdowns and potential instabilities. In addition, the biconjugate gradient (BCG) algorithm, which is the natural generalization of the conjugate gradient algorithm to non-Hermitian linear systems, has a second source of breakdowns, independent of the Lanczos breakdowns. Here, we present two new results. We propose an implementation of a look-ahead variant of the Lanczos algorithm which overcomes the breakdowns by skipping over those steps where a breakdown or a near-breakdown would occur. The new algorithm can handle look-ahead steps of any length and requires the same number of matrix-vector products and inner products per step as the classical Lanczos algorithm without look-ahead. Based on the proposed look-ahead Lanczos algorithm, we then present a novel BCG-like approach, the quasi-minimal residual (QMR) method, which avoids the second source of breakdowns in the BCG algorithm. We present details of the new method and discuss some of its properties. In particular, we discuss the relationship between QMR and BCG, showing how one can recover the BCG iterates, when they exist, from the QMR iterates. We also present convergence results for QMR, showing the connection between QMR and the generalized minimal residual (GMRES) algorithm, the optimal method in this class of methods. Finally, we give some numerical examples, both for eigenvalue computations and for non-Hermitian linear systems.

Synthesis Mechanism of Low-Voltage Praseodymium Oxide Doped Zinc Oxide Varistor Ceramics Prepared Through Modified Citrate Gel Coating

PubMed Central

Abdullah, Wan Rafizah Wan; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

2012-01-01

High demands on low-voltage electronics have increased the need for zinc oxide (ZnO) varistors with fast response, highly non-linear current-voltage characteristics and energy absorption capabilities at low breakdown voltage. However, trade-off between breakdown voltage and grain size poses a critical bottle-neck in the production of low-voltage varistors. The present study highlights the synthesis mechanism for obtaining praseodymium oxide (Pr6O11) based ZnO varistor ceramics having breakdown voltages of 2.8 to 13.3 V/mm through employment of direct modified citrate gel coating technique. Precursor powder and its ceramics were examined by means of TG/DTG, FTIR, XRD and FESEM analyses. The electrical properties as a function of Pr6O11 addition were analyzed on the basis of I-V characteristic measurement. The breakdown voltage could be adjusted from 0.01 to 0.06 V per grain boundary by controlling the amount of Pr6O11 from 0.2 to 0.8 mol%, without alteration of the grain size. The non-linearity coefficient, α, varied from 3.0 to 3.5 and the barrier height ranged from 0.56 to 0.64 eV. Breakdown voltage and α lowering with increasing Pr6O11 content were associated to reduction in the barrier height caused by variation in O vacancies at grain boundary. PMID:22606043

Synthesis mechanism of low-voltage praseodymium oxide doped zinc oxide varistor ceramics prepared through modified citrate gel coating.

PubMed

Abdullah, Wan Rafizah Wan; Zakaria, Azmi; Ghazali, Mohd Sabri Mohd

2012-01-01

High demands on low-voltage electronics have increased the need for zinc oxide (ZnO) varistors with fast response, highly non-linear current-voltage characteristics and energy absorption capabilities at low breakdown voltage. However, trade-off between breakdown voltage and grain size poses a critical bottle-neck in the production of low-voltage varistors. The present study highlights the synthesis mechanism for obtaining praseodymium oxide (Pr(6)O(11)) based ZnO varistor ceramics having breakdown voltages of 2.8 to 13.3 V/mm through employment of direct modified citrate gel coating technique. Precursor powder and its ceramics were examined by means of TG/DTG, FTIR, XRD and FESEM analyses. The electrical properties as a function of Pr(6)O(11) addition were analyzed on the basis of I-V characteristic measurement. The breakdown voltage could be adjusted from 0.01 to 0.06 V per grain boundary by controlling the amount of Pr(6)O(11) from 0.2 to 0.8 mol%, without alteration of the grain size. The non-linearity coefficient, α, varied from 3.0 to 3.5 and the barrier height ranged from 0.56 to 0.64 eV. Breakdown voltage and α lowering with increasing Pr(6)O(11) content were associated to reduction in the barrier height caused by variation in O vacancies at grain boundary.

Intensity Biased PSP Measurement

NASA Technical Reports Server (NTRS)

Subramanian, Chelakara S.; Amer, Tahani R.; Oglesby, Donald M.; Burkett, Cecil G., Jr.

2000-01-01

The current pressure sensitive paint (PSP) technique assumes a linear relationship (Stern-Volmer Equation) between intensity ratio (I(sub o)/I) and pressure ratio (P/P(sub o)) over a wide range of pressures (vacuum to ambient or higher). Although this may be valid for some PSPs, in most PSPs the relationship is nonlinear, particularly at low pressures (less than 0.2 psia when the oxygen level is low). This non-linearity can be attributed to variations in the oxygen quenching (de-activation) rates (which otherwise is assumed constant) at these pressures. Other studies suggest that some paints also have non-linear calibrations at high pressures; because of heterogeneous (non-uniform) oxygen diffusion and quenching. Moreover, pressure sensitive paints require correction for the output intensity due to light intensity variation, paint coating variation, model dynamics, wind-off reference pressure variation, and temperature sensitivity. Therefore to minimize the measurement uncertainties due to these causes, an insitu intensity correction method was developed. A non-oxygen quenched paint (which provides a constant intensity at all pressures, called non-pressure sensitive paint, NPSP) was used for the reference intensity (I(sub NPSP) with respect to which all the PSP intensities (I) were measured. The results of this study show that in order to fully reap the benefits of this technique, a totally oxygen impermeable NPSP must be available.

Weibull Modulus Estimated by the Non-linear Least Squares Method: A Solution to Deviation Occurring in Traditional Weibull Estimation

NASA Astrophysics Data System (ADS)

Li, T.; Griffiths, W. D.; Chen, J.

2017-11-01

The Maximum Likelihood method and the Linear Least Squares (LLS) method have been widely used to estimate Weibull parameters for reliability of brittle and metal materials. In the last 30 years, many researchers focused on the bias of Weibull modulus estimation, and some improvements have been achieved, especially in the case of the LLS method. However, there is a shortcoming in these methods for a specific type of data, where the lower tail deviates dramatically from the well-known linear fit in a classic LLS Weibull analysis. This deviation can be commonly found from the measured properties of materials, and previous applications of the LLS method on this kind of dataset present an unreliable linear regression. This deviation was previously thought to be due to physical flaws ( i.e., defects) contained in materials. However, this paper demonstrates that this deviation can also be caused by the linear transformation of the Weibull function, occurring in the traditional LLS method. Accordingly, it may not be appropriate to carry out a Weibull analysis according to the linearized Weibull function, and the Non-linear Least Squares method (Non-LS) is instead recommended for the Weibull modulus estimation of casting properties.

Molecular dynamics study of Al and Ni 3Al sputtering by Al clusters bombardment

NASA Astrophysics Data System (ADS)

Zhurkin, Eugeni E.; Kolesnikov, Anton S.

2002-06-01

The sputtering of Al and Ni 3Al (1 0 0) surfaces induced by impact of Al ions and Al N clusters ( N=2,4,6,9,13,55) with energies of 100 and 500 eV/atom is studied at atomic scale by means of classical molecular dynamics (MD). The MD code we used implements many-body tight binding potential splined to ZBL at short distances. Special attention has been paid to model dense cascades: we used quite big computation cells with lateral periodic and damped boundary conditions. In addition, long simulation times (10-25 ps) and representative statistics (up to 1000 runs per each case) were considered. The total sputtering yields, energy and time spectrums of sputtered particles, as well as preferential sputtering of compound target were analyzed, both in the linear and non-linear regimes. The significant "cluster enhancement" of sputtering yield was found for cluster sizes N⩾13. In parallel, we estimated collision cascade features depending on cluster size in order to interpret the nature of observed non-linear effects.

Gravity-driven soap film dynamics in subcritical regimes

NASA Astrophysics Data System (ADS)

Auliel, M. I.; Castro, F.; Sosa, R.; Artana, G.

2015-10-01

We undertake the analysis of soap-film dynamics with the classical approach of asymptotic expansions. We focus our analysis in vertical soap film tunnels operating in subcritical regimes with elastic Mach numbers Me=O(10-1) . Considering the associated set of nondimensional numbers that characterize this flow, we show that the flow behaves as a two-dimensional (2D) divergence free flow with variable mass density. When the soap film dynamics agrees with that of a 2D and almost constant mass density flow, the regions where the second invariant of the velocity gradient is non-null correspond to regions where the rate of change of film thickness is non-negligible.

Boltzmann-conserving classical dynamics in quantum time-correlation functions: "Matsubara dynamics".

PubMed

Hele, Timothy J H; Willatt, Michael J; Muolo, Andrea; Althorpe, Stuart C

2015-04-07

We show that a single change in the derivation of the linearized semiclassical-initial value representation (LSC-IVR or "classical Wigner approximation") results in a classical dynamics which conserves the quantum Boltzmann distribution. We rederive the (standard) LSC-IVR approach by writing the (exact) quantum time-correlation function in terms of the normal modes of a free ring-polymer (i.e., a discrete imaginary-time Feynman path), taking the limit that the number of polymer beads N → ∞, such that the lowest normal-mode frequencies take their "Matsubara" values. The change we propose is to truncate the quantum Liouvillian, not explicitly in powers of ħ(2) at ħ(0) (which gives back the standard LSC-IVR approximation), but in the normal-mode derivatives corresponding to the lowest Matsubara frequencies. The resulting "Matsubara" dynamics is inherently classical (since all terms O(ħ(2)) disappear from the Matsubara Liouvillian in the limit N → ∞) and conserves the quantum Boltzmann distribution because the Matsubara Hamiltonian is symmetric with respect to imaginary-time translation. Numerical tests show that the Matsubara approximation to the quantum time-correlation function converges with respect to the number of modes and gives better agreement than LSC-IVR with the exact quantum result. Matsubara dynamics is too computationally expensive to be applied to complex systems, but its further approximation may lead to practical methods.

Quantum Algorithms to Simulate Many-Body Physics of Correlated Fermions

NASA Astrophysics Data System (ADS)

Jiang, Zhang; Sung, Kevin J.; Kechedzhi, Kostyantyn; Smelyanskiy, Vadim N.; Boixo, Sergio

2018-04-01

Simulating strongly correlated fermionic systems is notoriously hard on classical computers. An alternative approach, as proposed by Feynman, is to use a quantum computer. We discuss simulating strongly correlated fermionic systems using near-term quantum devices. We focus specifically on two-dimensional (2D) or linear geometry with nearest-neighbor qubit-qubit couplings, typical for superconducting transmon qubit arrays. We improve an existing algorithm to prepare an arbitrary Slater determinant by exploiting a unitary symmetry. We also present a quantum algorithm to prepare an arbitrary fermionic Gaussian state with O (N2) gates and O (N ) circuit depth. Both algorithms are optimal in the sense that the numbers of parameters in the quantum circuits are equal to those describing the quantum states. Furthermore, we propose an algorithm to implement the 2D fermionic Fourier transformation on a 2D qubit array with only O (N1.5) gates and O (√{N }) circuit depth, which is the minimum depth required for quantum information to travel across the qubit array. We also present methods to simulate each time step in the evolution of the 2D Fermi-Hubbard model—again on a 2D qubit array—with O (N ) gates and O (√{N }) circuit depth. Finally, we discuss how these algorithms can be used to determine the ground-state properties and phase diagrams of strongly correlated quantum systems using the Hubbard model as an example.

Coastal hypoxia responses to remediation

NASA Astrophysics Data System (ADS)

Kemp, W. M.; Testa, J. M.; Conley, D. J.; Gilbert, D.; Hagy, J. D.

2009-07-01

The incidence and intensity of hypoxic waters in coastal aquatic ecosystems has been expanding in recent decades coincident with eutrophication of the coastal zone. Because of the negative effects hypoxia has on many organisms, extensive efforts have been made to reduce the size and duration of hypoxia in many coastal waters. Although it has been broadly assumed that reductions in nutrient loading rates would reverse eutrophication and consequently, hypoxia, recent analyses of historical data from European and North American coastal systems suggest little evidence for simple linear response trajectories. We review existing data, analyses, and models that relate variations in the extent and intensity of hypoxia to changes in loading rates for inorganic nutrients and labile organic matter. We also assess existing knowledge of physical and ecological factors regulating oxygen in coastal marine waters and examine a broad range of examples where hypoxia responses to reductions in nutrient (or organic matter) inputs have been documented. Of the 22 systems identified where concurrent time series of loading and O2 were available, half displayed relatively clear and direct recoveries following remediation. We explored in detail 5 well-studied systems that have exhibited complex, non-linear responses to loading, including apparent "regime shifts." A summary of these analyses suggests that O2 conditions improved rapidly and linearly in systems where remediation focused on organic inputs from sewage plants, which were the primary drivers of hypoxia. In larger more open systems where diffuse nutrient loads are more important in fueling O2 depletion and where climatic influences are pronounced, responses to remediation tend to follow non-linear trends that may include hysteresis and time-lags. Improved understanding of hypoxia remediation requires that future studies use comparative approaches and consider multiple regulating factors including: (1) the dominant temporal scales of the hypoxia, (2) the relative contributions of inorganic and organic nutrients, (3) the influence of shifts in climatic and oceanographic processes, and (4) the roles of feedback interactions whereby O2-sensitive biogeochemistry, food-webs, and habitats influence the nutrient and algal dynamics that regulate O2 levels.

Anomalously large effects of pressure on electron transfer kinetics in solution: The aqueous manganate(VI)-permanganate(VII) system

NASA Astrophysics Data System (ADS)

Swaddle, T. W.; Spiccia, L.

1986-05-01

The classical Stranks-Hush-Marcus theory of pressure effects on the rates of outer-sphere electron transfer reaction rates in solution underestimates |ΔV ∗| specifically, for the MnO 4/MnO 42- (aq) exchange, ΔV ∗=-21.2 (observed) vs. -6.6 cm3mol-1 (calculated). This discrepancy can best be resolved by conceding that the Mn-Mn separation σ in the transition state is variable and pressure-sensitive in the context of non-adiabatic electron transfer within an ellipsoidal cavity with σ ∼ 550 pm.

The GaOH-HGaO potential energy hypersurface and the necessity of correlating the 3d electrons

NASA Astrophysics Data System (ADS)

Richards, Claude A., Jr.; Yamaguchi, Yukio; Kim, Seung-Joon; Schaefer, Henry F., III

1996-06-01

The ground state potential energy hypersurface of the GaOH-HGaO system has been investigated using high level ab initio molecular electronic structure theory. The geometries and physical properties of two equilibrium structures, one isomerization transition state and one inversion transition state were determined at the self-consistent field (SCF), configuration interaction with single and double excitations (CISD), coupled cluster with single and double excitations (CCSD), and CCSD with perturbative triple excitations [CCSD(T)] levels of theory with four sets of basis functions. It has been found that freezing the 3d electrons of the Ga atom in the correlation procedures is not appropriate for this system. For the energy difference ΔE (GaOH-HGaO) the freezing of the 3d electrons results in an error of 25 kcal/mol! The dipole moments, harmonic vibrational frequencies, and infrared (IR) intensities are predicted for the four stationary points. At the highest level of theory employed in this study, CCSD(T) using triple zeta plus double polarization with higher angular momentum and diffuse functions [TZ2P(f,d)+diff] basis set, the bent GaOH was found to be 41.9 kcal/mol more stable than the linear HGaO species; with the zero-point vibrational energy (ZPVE) correction, the energy separation becomes 40.4 kcal/mol. The classical barrier height for the exothermic isomerization (1,2 hydrogen shift) reaction HGaO→GaOH is determined to be 44.5 kcal/mol and the barrier height with the ZPVE correction 42.3 kcal/mol. The classical barrier to linearity for the bent GaOH molecule is determined to be 1.7 kcal/mol and the barrier height with the ZPVE correction to be 1.2 kcal/mol. The predicted dipole moments of GaOH and HGaO are 1.41 and 4.45 Debye, respectively. The effects of electron correlation reduce the dipole moment of HGaO by the sizable amount of 1.2 Debye. The two equilibrium species may be suitable for microwave spectroscopic investigation. Furthermore, they may also be detectable by IR techniques due to the relatively large intensities of their vibrational modes. The geometrical and energetic features are compared with those of the valence isoelectronic HXO-XOH systems, where X is a group IIIA atom and the HXO+-XOH+ systems, where X is a group IVA atom.

Multiphysics modeling of non-linear laser-matter interactions for optically active semiconductors

NASA Astrophysics Data System (ADS)

Kraczek, Brent; Kanp, Jaroslaw

Development of photonic devices for sensors and communications devices has been significantly enhanced by computational modeling. We present a new computational method for modelling laser propagation in optically-active semiconductors within the paraxial wave approximation (PWA). Light propagation is modeled using the Streamline-upwind/Petrov-Galerkin finite element method (FEM). Material response enters through the non-linear polarization, which serves as the right-hand side of the FEM calculation. Maxwell's equations for classical light propagation within the PWA can be written solely in terms of the electric field, producing a wave equation that is a form of the advection-diffusion-reaction equations (ADREs). This allows adaptation of the computational machinery developed for solving ADREs in fluid dynamics to light-propagation modeling. The non-linear polarization is incorporated using a flexible framework to enable the use of multiple methods for carrier-carrier interactions (e.g. relaxation-time-based or Monte Carlo) to enter through the non-linear polarization, as appropriate to the material type. We demonstrate using a simple carrier-carrier model approximating the response of GaN. Supported by ARL Materials Enterprise.

Mode Identification of High-Amplitude Pressure Waves in Liquid Rocket Engines

NASA Astrophysics Data System (ADS)

EBRAHIMI, R.; MAZAHERI, K.; GHAFOURIAN, A.

2000-01-01

Identification of existing instability modes from experimental pressure measurements of rocket engines is difficult, specially when steep waves are present. Actual pressure waves are often non-linear and include steep shocks followed by gradual expansions. It is generally believed that interaction of these non-linear waves is difficult to analyze. A method of mode identification is introduced. After presumption of constituent modes, they are superposed by using a standard finite difference scheme for solution of the classical wave equation. Waves are numerically produced at each end of the combustion tube with different wavelengths, amplitudes, and phases with respect to each other. Pressure amplitude histories and phase diagrams along the tube are computed. To determine the validity of the presented method for steep non-linear waves, the Euler equations are numerically solved for non-linear waves, and negligible interactions between these waves are observed. To show the applicability of this method, other's experimental results in which modes were identified are used. Results indicate that this simple method can be used in analyzing complicated pressure signal measurements.

Infrared light-assisted preparation of Ag nanoparticles-reduced graphene oxide nanocomposites for non-enzymatic H{sub 2}O{sub 2} sensing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ji, Ye; State Key Laboratory of Transducer Technology, Chinese Academy of Sciences; Zhang, Yong

2015-12-15

Graphical abstract: An infrared light irradiation method has been developed for preparation of AgNPs/rGO nanocomposites for electrochemical detection of H{sub 2}O{sub 2}. - Highlights: • AgNPs/rGO nanocomposites have been prepared by photochemical method. • AgNPs/rGO nanocomposites exhibit good sensing performances for detection of H{sub 2}O{sub 2}. • The present work provides a simple and green method for preparation of rGO-based materials. - Abstract: A green method has been developed for preparation of Ag nanoparticles/reduced graphene oxide (AgNPs/rGO) nanocomposites by infrared light irradiation. The characterizations indicate the successful preparation of AgNPs/rGO nanocomposites. Most importantly, AgNPs/rGO nanocomposites exhibit excellent electrocatalytic activity formore » reduction of H{sub 2}O{sub 2}, leading to a high-performance non-enzymatic H{sub 2}O{sub 2} sensor with linear detection range and detection limit about 0.1 mM to 140 mM (r = 0.9896) and 3.0 μM, respectively.« less

E-beam and UV induced fabrication of CeO2, Eu2O3 and their mixed oxides with UO2

NASA Astrophysics Data System (ADS)

Pavelková, Tereza; Vaněček, Vojtěch; Jakubec, Ivo; Čuba, Václav

2016-07-01

CeO2, Eu2O3 and mixed oxides of CeO2-UO2, Eu2O3-UO2 were fabricated. The preparative method was based on the irradiation of aqueous solutions containing cerium/europium (and uranyl) nitrates and ammonium formate. In the course of irradiation, the solid phase (precursor) was precipitated. The composition of irradiated solutions significantly affected the properties of precursor formed in the course of the irradiation. However, subsequent heat treatment of (amorphous) precursors at temperatures ≤650 °C invariably resulted in the formation of powder oxides with well-developed nanocrystals with linear crystallite size 13-27 nm and specific surface area 10-46 m2 g-1. The applicability of both ionizing (e-beam) and non-ionizing (UV) radiation was studied.

Non-Linear Analysis of Mode II Fracture in the end Notched Flexure Beam

NASA Astrophysics Data System (ADS)

Rizov, V.

2016-03-01

Analysis is carried-out of fracture in the End Notched Flex- ure (ENF) beam configuration, taking into account the material nonlin- earity. For this purpose, the J-integral approach is applied. A non-linear model, based on the Classical beam theory is used. The mechanical be- haviour of the ENF configuration is described by the Ramberg-Osgood stress-strain curve. It is assumed that the material possesses the same properties in tension and compression. The influence is evaluated of the material constants in the Ramberg-Osgood stress-strain equation on the fracture behaviour. The effect of the crack length on the J-integral value is investigated, too. The analytical approach, developed in the present paper, is very useful for parametric analyses, since the simple formulae obtained capture the essentials of the non-linear fracture in the ENF con- figuration.

Arabinofuranose 1,2,5-orthobenzoate as a single precursor of linear α(1 → 5)-linked oligoarabinofuranosides.

PubMed

Panova, Maria V; Podvalnyy, Nikita M; Okun, Eugene L; Abronina, Polina I; Chizhov, Alexander O; Kononov, Leonid O

2018-02-01

Selectively protected mono-, di- and trisaccharide thioglycoside building blocks with unprotected primary hydroxy group at the non-reducing end, available in only one step from 3-O-benzoyl β-d-arabinofuranose 1,2,5-orthobenzoate, were used in the synthesis of linear α(1 → 5)-linked oligoarabinofuranosides up to octasaccharide. The obtained oligosaccharides contain 4-(2-chloroethoxy)phenyl (CEP) or 4-(2-azidoethoxy)phenyl (AEP) pre-spacer aglycons that allow preparation of neoglycoconjugates. Copyright © 2017 Elsevier Ltd. All rights reserved.

A nanocomposite-based electrochemical sensor for non-enzymatic detection of hydrogen peroxide

PubMed Central

Du, Xin; Chen, Yuan; Dong, Wenhao; Han, Bingkai; Liu, Min; Chen, Qiang; Zhou, Jun

2017-01-01

Hydrogen peroxide (H2O2) plays important signaling roles in normal physiology and disease. However, analyzing the actions of H2O2 is often impeded by the difficulty in detecting this molecule. Herein, we report a novel nanocomposite-based electrochemical sensor for non-enzymatic detection of H2O2. Graphene oxide (GO) was selected as the dopant for the synthesis of polyaniline (PANI), leading to the successful fabrication of a water-soluble and stable GO-PANI composite. GO-PANI was subsequently subject to cyclic voltammetry to generate reduced GO-PANI (rGO-PANI), enhancing the conductivity of the material. Platinum nanoparticles (PtNPs) were then electrodeposited on the surface of the rGO-PANI-modified glassy carbon electrode (GCE) to form an electrochemical H2O2 sensor. Compared to previously reported sensors, the rGO-PANI-PtNP/GCE exhibited an expanded linear range, higher sensitivity, and lower detection limit in the quantification of H2O2. In addition, the sensor displayed outstanding reproducibility and selectivity in real-sample examination. Our study suggests that the rGO-PANI-PtNP/GCE may have broad utility in H2O2 detection under physiological and pathological conditions. PMID:28035076

Non-equilibrium dynamics from RPMD and CMD.

PubMed

Welsch, Ralph; Song, Kai; Shi, Qiang; Althorpe, Stuart C; Miller, Thomas F

2016-11-28

We investigate the calculation of approximate non-equilibrium quantum time correlation functions (TCFs) using two popular path-integral-based molecular dynamics methods, ring-polymer molecular dynamics (RPMD) and centroid molecular dynamics (CMD). It is shown that for the cases of a sudden vertical excitation and an initial momentum impulse, both RPMD and CMD yield non-equilibrium TCFs for linear operators that are exact for high temperatures, in the t = 0 limit, and for harmonic potentials; the subset of these conditions that are preserved for non-equilibrium TCFs of non-linear operators is also discussed. Furthermore, it is shown that for these non-equilibrium initial conditions, both methods retain the connection to Matsubara dynamics that has previously been established for equilibrium initial conditions. Comparison of non-equilibrium TCFs from RPMD and CMD to Matsubara dynamics at short times reveals the orders in time to which the methods agree. Specifically, for the position-autocorrelation function associated with sudden vertical excitation, RPMD and CMD agree with Matsubara dynamics up to O(t 4 ) and O(t 1 ), respectively; for the position-autocorrelation function associated with an initial momentum impulse, RPMD and CMD agree with Matsubara dynamics up to O(t 5 ) and O(t 2 ), respectively. Numerical tests using model potentials for a wide range of non-equilibrium initial conditions show that RPMD and CMD yield non-equilibrium TCFs with an accuracy that is comparable to that for equilibrium TCFs. RPMD is also used to investigate excited-state proton transfer in a system-bath model, and it is compared to numerically exact calculations performed using a recently developed version of the Liouville space hierarchical equation of motion approach; again, similar accuracy is observed for non-equilibrium and equilibrium initial conditions.

Psoriasis or not? Review of 51 clinically confirmed cases reveals an expanded histopathologic spectrum of psoriasis.

PubMed

Chau, Thinh; Parsi, Kory K; Ogawa, Toru; Kiuru, Maija; Konia, Thomas; Li, Chin-Shang; Fung, Maxwell A

2017-12-01

Psoriasis is usually diagnosed clinically, so only non-classic or refractory cases tend to be biopsied. Diagnostic uncertainty persists when dermatopathologists encounter features regarded as non-classic for psoriasis. Define and document classic and non-classic histologic features in skin biopsies from patients with clinically confirmed psoriasis. Minimal clinical diagnostic criteria were informally validated and applied to a consecutive series of biopsies histologically consistent with psoriasis. Clinical confirmation required 2 of the following criteria: (1) classic morphology, (2) classic distribution, (3) nail pitting, and (4) family history, with #1 and/or #2 as 1 criterion in every case RESULTS: Fifty-one biopsies from 46 patients were examined. Classic features of psoriasis included hypogranulosis (96%), club-shaped rete ridges (96%), dermal papilla capillary ectasia (90%), Munro microabscess (78%), suprapapillary plate thinning (63%), spongiform pustules (53%), and regular acanthosis (14%). Non-classic features included irregular acanthosis (84%), junctional vacuolar alteration (76%), spongiosis (76%), dermal neutrophils (69%), necrotic keratinocytes (67%), hypergranulosis (65%), neutrophilic spongiosis (61%), dermal eosinophils (49%), compact orthokeratosis (37%), papillary dermal fibrosis (35%), lichenoid infiltrate (25%), plasma cells (16%), and eosinophilic spongiosis (8%). Psoriasis exhibits a broader histopathologic spectrum. The presence of some non-classic features does not necessarily exclude the possibility of psoriasis. © 2017 John Wiley & Sons A/S. Published by John Wiley & Sons Ltd.

Reaching state-of-the art requirements for MIM capacitors with a single-layer anodic Al2O3 dielectric and imprinted electrodes

NASA Astrophysics Data System (ADS)

Hourdakis, Emmanouel; Nassiopoulou, Androula G.

2017-07-01

Metal-Insulator-Metal (MIM) capacitors with a high capacitance density and low non-linearity coefficient using a single-layer dielectric of barrier-type anodic alumina (Al2O3) and an imprinted bottom Al electrode are presented. Imprinting of the bottom electrode aimed at increasing the capacitor effective surface area by creating a three-dimensional MIM capacitor architecture. The bottom Al electrode was only partly nanopatterned so as to ensure low series resistance of the MIM capacitor. With a 3 nm thick anodic Al2O3 dielectric, the capacitor with the imprinted electrode showed a 280% increase in capacitance density compared to the flat electrode capacitor, reaching a value of 20.5 fF/μm2. On the other hand, with a 30 nm thick anodic Al2O3 layer, the capacitance density was 7.9 fF/μm2 and the non-linearity coefficient was as low as 196 ppm/V2. These values are very close to reaching all requirements of the last International Technology Roadmap for Semiconductors for MIM capacitors [ITRS, http://www.itrs2.net/2013-itrs.html for ITRS Roadmap (2013)], and they are achieved by a single-layer dielectric instead of the complicated dielectric stacks of the literature. The obtained results constitute a real progress compared to previously reported results by our group for MIM capacitors using imprinted electrodes.

EUV-induced oxidation of carbon on TiO2.

PubMed

Faradzhev, Nadir S; Hill, Shannon B

2016-10-01

Previously we reported estimates of the maximum etch rates of C on TiO 2 by oxidizers including NO, O 3 and H 2 O 2 when irradiated by a spatially-non-uniform beam of extreme ultraviolet (EUV) radiation at 13.5 nm (Faradzhev et al., 2013). Here we extend that work by presenting temporally and spatially resolved measurements of the C etching by these oxidizers as a function of EUV intensity in the range (0.3 to 3) mW/mm 2 [(0.2 to 2) × 10 16 photons s -1 cm -2 ]. We find that the rates for NO scale linearly with intensity and are smaller than those for O 3 , which exhibit a weak, sub-linear intensity dependence in this range. We demonstrate that these behaviors are consistent with adsorption of the oxidizing precursor on the C surface followed by a photon-stimulated reaction resulting in volatile C-containing products. The kinetics of photon-induced C etching by hydrogen peroxide, however, appear to be more complex. The spatially resolved measurements reveal that C removal by H 2 O 2 begins at the edges of the C spot, where the light intensity is the lowest, and proceeds toward the center of the spot. This localization of the reaction may occur because hydroxyl radicals are produced efficiently on the catalytically active TiO 2 surface.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liu, Hongying, E-mail: liuhongying@hdu.edu.cn; Gu, Chunchuan; Li, Dujuan

Graphical abstract: A non-enzymatic H{sub 2}O{sub 2} sensor with high selectivity and sensitivity based on rose-shaped FeMoO{sub 4} synthesized by the convenient microwave-assisted hydrothermal method, was fabricated. - Highlights: • Rose-shaped FeMoO{sub 4} is synthesized within 10 min via microwave-assisted hydrothermal approach. • Non-enzymatic hydrogen peroxide biosensor based on FeMoO{sub 4} nanomaterials is fabricated. • The biosensor exhibits good performance. - Abstract: In this work, we demonstrated a simple, rapid and reliable microwave-assisted hydrothermal approach to synthesize the uniform rose-shaped FeMoO{sub 4} within 10 min. The morphologies of the synthesized materials were characterized by X-ray powder diffraction and scanning electronmore » microscopy. Moreover, a non-enzymatic amperometric sensor for the detection of hydrogen peroxide (H{sub 2}O{sub 2}) was fabricated on the basis of the FeMoO{sub 4} as electrocatalysis. The resulting FeMoO{sub 4} exhibited high sensitivity and good stability for the detection of H{sub 2}O{sub 2}, which may be attributed to the rose-shaped structure of the material and the catalytic property of FeMoO{sub 4}. Amperometric response showed that the modified electrode had a good response for H{sub 2}O{sub 2} with a linear range from 1 μM to 1.6 mM, a detection limit of 0.5 μM (S/N = 3), high selectivity and short response time. Additionally, good recoveries of analytes in real milk samples confirm the reliability of the prepared sensor in practical applications.« less

Correction for the 17O interference in δ(13C) measurements when analyzing CO2 with stable isotope mass spectrometry

USGS Publications Warehouse

Coplen, Tyler B.; Brand, Willi A.; Assonov, Sergey S.

2010-01-01

Measurements of δ(13C) determined on CO2 with an isotope-ratio mass spectrometer (IRMS) must be corrected for the amount of 17O in the CO2. For data consistency, this must be done using identical methods by different laboratories. This report aims at unifying data treatment for CO2 IRMS by proposing (i) a unified set of numerical values, and (ii) a unified correction algorithm, based on a simple, linear approximation formula. Because the oxygen of natural CO2 is derived mostly from the global water pool, it is recommended that a value of 0.528 be employed for the factor λ, which relates differences in 17O and 18O abundances. With the currently accepted N(13C)/N(12C) of 0.011 180(28) in VPDB (Vienna Peedee belemnite) reevaluation of data yields a value of 0.000 393(1) for the oxygen isotope ratio N(17O)/N(16O) of the evolved CO2. The ratio of these quantities, a ratio of isotope ratios, is essential for the 17O abundance correction: [N(17O)/N(16O)]/[N(13C)/N(12C)] = 0.035 16(8). The equation [δ(13C) ≈ 45δVPDB-CO2 + 2 17R/13R (45δVPDB-CO2 – λ46δVPDB-CO2)] closely approximates δ(13C) values with less than 0.010 ‰ deviation for normal oxygen-bearing materials and no more than 0.026 ‰ in extreme cases. Other materials containing oxygen of non-mass-dependent isotope composition require a more specific data treatment. A similar linear approximation is also suggested for δ(18O). The linear approximations are easy to implement in a data spreadsheet, and also help in generating a simplified uncertainty budget.

On Spectral Invariance of Single Scattering Albedo for Weakly Absorbing Wavelengths

NASA Technical Reports Server (NTRS)

Marshak, Alexander; Knyazikhin, Yuri; Chiu, J. Christine; Wiscombe, Warren J.

2011-01-01

This note shows that for water droplets at weakly absorbing wavelengths, the ratio omega(sub O lambda(r))/omega(sub O lambda(r(sub O)) of two single scattering albedo spectra, omega(sub O lambda(r) and omega(sub O lambda(r (sub O)), is a linear function of omega(sub O lambda(r). The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo omega(sub O lambda(r) via one known spectrum omega(sub O lambda(r(sub O)). The note provides a simple physical explanation of the discovered relationship. In addition to water droplets, similar linear relationships were found for the single scattering albedo of non-spherical ice crystals.

ELAC (3,12-di-O-acetyl-8-O-tigloilingol), a plant-derived lathyrane diterpene, induces subventricular zone neural progenitor cell proliferation through PKCβ activation.

PubMed

Murillo-Carretero, Maribel; Geribaldi-Doldán, Noelia; Flores-Giubi, Eugenia; García-Bernal, Francisco; Navarro-Quiroz, Elkin A; Carrasco, Manuel; Macías-Sánchez, Antonio J; Herrero-Foncubierta, Pilar; Delgado-Ariza, Antonio; Verástegui, Cristina; Domínguez-Riscart, Jesús; Daoubi, Mourad; Hernández-Galán, Rosario; Castro, Carmen

2017-07-01

Pharmacological strategies aimed to facilitate neuronal renewal in the adult brain, by promoting endogenous neurogenesis, constitute promising therapeutic options for pathological or traumatic brain lesions. We have previously shown that non-tumour-promoting PKC-activating compounds (12-deoxyphorbols) promote adult neural progenitor cell (NPC) proliferation in vitro and in vivo, enhancing the endogenous neurogenic response of the brain to a traumatic injury. Here, we show for the first time that a diterpene with a lathyrane skeleton can also activate PKC and promote NPC proliferation. We isolated four lathyranes from the latex of Euphorbia plants and tested their effect on postnatal NPC proliferation, using neurosphere cultures. The bioactive lathyrane ELAC (3,12-di-O-acetyl-8-O-tigloilingol) was also injected into the ventricles of adult mice to analyse its effect on adult NPC proliferation in vivo. The lathyrane ELAC activated PKC and significantly increased postnatal NPC proliferation in vitro, particularly in synergy with FGF2. In addition ELAC stimulated proliferation of NPC, specifically affecting undifferentiated transit amplifying cells. The proliferative effect of ELAC was reversed by either the classical/novel PKC inhibitor Gö6850 or the classical PKC inhibitor Gö6976, suggesting that NPC proliferation is promoted in response to activation of classical PKCs, particularly PKCß. ELAC slightly increased the proportion of NPC expressing Sox2. The effects of ELAC disappeared upon acetylation of its C7-hydroxyl group. We propose lathyranes like ELAC as new drug candidates to modulate adult neurogenesis through PKC activation. Functional and structural comparisons between ELAC and phorboids are included. © 2017 The British Pharmacological Society.

Quantum computation for solving linear systems

NASA Astrophysics Data System (ADS)

Cao, Yudong

Quantum computation is a subject born out of the combination between physics and computer science. It studies how the laws of quantum mechanics can be exploited to perform computations much more efficiently than current computers (termed classical computers as oppose to quantum computers). The thesis starts by introducing ideas from quantum physics and theoretical computer science and based on these ideas, introducing the basic concepts in quantum computing. These introductory discussions are intended for non-specialists to obtain the essential knowledge needed for understanding the new results presented in the subsequent chapters. After introducing the basics of quantum computing, we focus on the recently proposed quantum algorithm for linear systems. The new results include i) special instances of quantum circuits that can be implemented using current experimental resources; ii) detailed quantum algorithms that are suitable for a broader class of linear systems. We show that for some particular problems the quantum algorithm is able to achieve exponential speedup over their classical counterparts.

The light transmission and distribution in an optical fiber coated with TiO2 particles.

PubMed

Wang, Wen; Ku, Young

2003-03-01

The light delivery and distribution phenomena along the optical fiber coated with the P-25 TiO(2) particles by dipping was investigated. The surface properties (coverage, roughness and thickness) of the TiO(2) layer coated on the optical fiber were characterized by SEM micrographs. For TiO(2) layer prepared from solutions containing less than 20 wt.% of TiO(2) slurry, the thickness of layer was increased linearly with the TiO(2) slurry content in solutions. The UV light intensity transmitted along a TiO(2)-coated optical fiber decreased more rapidly than that transmitted along a non-coated fiber. Based on the experimental results, the light intensity distribution around a coated optical fiber was modeled to determine the optimum configuration for the design of optical fiber reactors under various operational conditions. Copyright 2002 Elsevier Science Ltd.

Alteration in non-classicality of light on passing through a linear polarization beam splitter

NASA Astrophysics Data System (ADS)

Shukla, Namrata; Prakash, Ranjana

2016-06-01

We observe the polarization squeezing in the mixture of a two mode squeezed vacuum and a simple coherent light through a linear polarization beam splitter. Squeezed vacuum not being squeezed in polarization, generates polarization squeezed light when superposed with coherent light. All the three Stokes parameters of the light produced on the output port of polarization beam splitter are found to be squeezed and squeezing factor also depends upon the parameters of coherent light.

The Evolution of NR TrA (Nova TrA 2008) from 2008 through 2017

NASA Astrophysics Data System (ADS)

Walter, Frederick M.; Burwitz, Vadim; Kafka, Stella

2018-06-01

The classical nova NR TrA was discovered as an O-type optically-thick classical nova. There is no evidence that it formed dust. Within four years the envelope became sufficiently thin to reveal an eclipsing accretion disk-dominated system with orbitally-modulated permitted lines of C IV, N V, and O VI. XMM observations reveal a non-eclipsing soft X-ray source and a deeply-eclipsing UV continuum. We will present the first ten years of optical spectral evolution of this system accompanied by ten years of BVRIJHK photometry, with an eye to deciphering the current nature of the system.

Annual Review of Research under the Joint Services Electronics Program,

DTIC Science & Technology

1981-12-01

nonlinear system under investigation to be transformed, without approximation, into an equivalent linear system to which classical design methodologies are...employed his work in the design of an experimental helicopter autopilot which is presently under- going simulation and is expected to fly in the near...decentralized, and non -quad- duced from that which would be required ratic systems is presented. Here, one for an optimal non -linlar controller. designs a

TG study of the Li0.4Fe2.4Zn0.2O4 ferrite synthesis

NASA Astrophysics Data System (ADS)

Lysenko, E. N.; Nikolaev, E. V.; Surzhikov, A. P.

2016-02-01

In this paper, the kinetic analysis of Li-Zn ferrite synthesis was studied using thermogravimetry (TG) method through the simultaneous application of non-linear regression to several measurements run at different heating rates (multivariate non-linear regression). Using TG-curves obtained for the four heating rates and Netzsch Thermokinetics software package, the kinetic models with minimal adjustable parameters were selected to quantitatively describe the reaction of Li-Zn ferrite synthesis. It was shown that the experimental TG-curves clearly suggest a two-step process for the ferrite synthesis and therefore a model-fitting kinetic analysis based on multivariate non-linear regressions was conducted. The complex reaction was described by a two-step reaction scheme consisting of sequential reaction steps. It is established that the best results were obtained using the Yander three-dimensional diffusion model at the first stage and Ginstling-Bronstein model at the second step. The kinetic parameters for lithium-zinc ferrite synthesis reaction were found and discussed.

Ultrathin NiCo2O4 nanowalls supported on a 3D nanoporous gold coated needle for non-enzymatic amperometric sensing of glucose.

PubMed

Li, Weiwei; Qi, Hui; Wang, Baogang; Wang, Qiyu; Wei, Shuting; Zhang, Xiaolin; Wang, Ying; Zhang, Lei; Cui, Xiaoqiang

2018-01-24

A disposable needle-type of hybrid electrode was prepared from a core of stainless steel needle whose surface was modified with a 3D nanoporous gold/NiCo 2 O 4 nanowall hybrid structure for electrochemical non-enzymatic glucose detection. This hybrid electrode, best operated at 0.45 V (vs. SCE) in solutions of pH 13 has a linear response in the 0.01 to 21 mM glucose concentration range, a response time of <1 s, and a 1 μM detection limit (at an S/N ratio of 3). The remarkable enhancement compared to the solid gold/NiCo 2 O 4 and stainless steel/NiCo 2 O 4 hybrid electrodes in electrochemical performance is assumed to originate from the good electrical conductivity and large surface area of the hybrid electrode, which enhance the transport of mass and charge during electrochemical reactions. This biosensor was also applied to real sample analysis with little interferences. The electrode is disposable and considered to be a promising tool for non-enzymatic sensing of glucose in a variety of practical situations. Graphical abstract Ultrathin NiCo 2 O 4 nanowalls supported on nanoporous gold that is coated on a stainless steel needle was fabricated for sensitive non-enzymatic amperometric sensing of glucose.

Oxidation characteristics of porous-nickel prepared by powder metallurgy and cast-nickel at 1273 K in air for total oxidation time of 100 h.

PubMed

Mohamed, Lamiaa Z; Ghanem, Wafaa A; El Kady, Omayma A; Lotfy, Mohamed M; Ahmed, Hafiz A; Elrefaie, Fawzi A

2017-11-01

The oxidation behavior of two types of inhomogeneous nickel was investigated in air at 1273 K for a total oxidation time of 100 h. The two types were porous sintered-nickel and microstructurally inhomogeneous cast-nickel. The porous-nickel samples were fabricated by compacting Ni powder followed by sintering in vacuum at 1473 K for 2 h. The oxidation kinetics of the samples was determined gravimetrically. The topography and the cross-section microstructure of each oxidized sample were observed using optical and scanning electron microscopy. X-ray diffractometry and X-ray energy dispersive analysis were used to determine the nature of the formed oxide phases. The kinetic results revealed that the porous-nickel samples had higher trend for irreproducibility. The average oxidation rate for porous- and cast-nickel samples was initially rapid, and then decreased gradually to become linear. Linear rate constants were 5.5 × 10 -8  g/cm 2  s and 3.4 × 10 -8  g/cm 2  s for the porous- and cast-nickel samples, respectively. Initially a single-porous non-adherent NiO layer was noticed on the porous- and cast-nickel samples. After a longer time of oxidation, a non-adherent duplex NiO scale was formed. The two layers of the duplex scales were different in color. NiO particles were observed in most of the pores of the porous-nickel samples. Finally, the linear oxidation kinetics and the formation of porous non-adherent duplex oxide scales on the inhomogeneous nickel substrates demonstrated that the addition of new layers of NiO occurred at the scale/metal interface due to the thermodynamically possible reaction between Ni and the molecular oxygen migrating inwardly.

Survey of non-linear hydrodynamic models of type-II Cepheids

NASA Astrophysics Data System (ADS)

Smolec, R.

2016-03-01

We present a grid of non-linear convective type-II Cepheid models. The dense model grids are computed for 0.6 M⊙ and a range of metallicities ([Fe/H] = -2.0, -1.5, -1.0), and for 0.8 M⊙ ([Fe/H] = -1.5). Two sets of convective parameters are considered. The models cover the full temperature extent of the classical instability strip, but are limited in luminosity; for the most luminous models, violent pulsation leads to the decoupling of the outermost model shell. Hence, our survey reaches only the shortest period RV Tau domain. In the Hertzsprung-Russell diagram, we detect two domains in which period-doubled pulsation is possible. The first extends through the BL Her domain and low-luminosity W Vir domain (pulsation periods ˜2-6.5 d). The second domain extends at higher luminosities (W Vir domain; periods >9.5 d). Some models within these domains display period-4 pulsation. We also detect very narrow domains (˜10 K wide) in which modulation of pulsation is possible. Another interesting phenomenon we detect is double-mode pulsation in the fundamental mode and in the fourth radial overtone. Fourth overtone is a surface mode, trapped in the outer model layers. Single-mode pulsation in the fourth overtone is also possible on the hot side of the classical instability strip. The origin of the above phenomena is discussed. In particular, the role of resonances in driving different pulsation dynamics as well as in shaping the morphology of the radius variation curves is analysed.

[Influence of SiO2 films on color reproduction of Ni-Cr alloy porcelain crowns].

PubMed

Wu, Dong; Feng, Yunzhi

2011-08-01

To study whether SiO2 films will influence the color of Ni-Cr metal ceramic restorations. For the film plating experimental group, Sol-gel method was employed to apply SiO2 films to the surface of the Ni-Cr copings, while no coating was applied for the non-film-plating control group. Veneering porcelains were then applied subsequently, and a total of 12 B2-colored maxillary incisor metal ceramic crowns were fabricated with 6 crowns in each group. A ShadeEye Ncc computer-aided colorimeter was employed to measure the shade of the samples, as well as 6 B2(Vitapan classical vita color tabs) shade standards. The color was expressed as C1E-1976-Lab coordinates. There was a statistically significant color difference between all metal ceramic crowns and the B2 shade standards (delta E>1.5). The L*, a*, b* values of all crowns were higher than those of the B2 shade standards, and the crowns were typically yellower or redder. While neither significant color difference nor difference in shade values was observed between the film plating experimental group and non-film-plating control group (delta E<1.5). SiO2 films applied to the Ni-Cr copings by means of Sol-gel technique do not impact the final color of the metal ceramic restorations.

Phase space explorations in time dependent density functional theory

NASA Astrophysics Data System (ADS)

Rajam, Aruna K.

Time dependent density functional theory (TDDFT) is one of the useful tools for the study of the dynamic behavior of correlated electronic systems under the influence of external potentials. The success of this formally exact theory practically relies on approximations for the exchange-correlation potential which is a complicated functional of the co-ordinate density, non-local in space and time. Adiabatic approximations (such as ALDA), which are local in time, are most commonly used in the increasing applications of the field. Going beyond ALDA, has been proved difficult leading to mathematical inconsistencies. We explore the regions where the theory faces challenges, and try to answer some of them via the insights from two electron model systems. In this thesis work we propose a phase-space extension of the TDDFT. We want to answer the challenges the theory is facing currently by exploring the one-body phase-space. We give a general introduction to this theory and its mathematical background in the first chapter. In second chapter, we carryout a detailed study of instantaneous phase-space densities and argue that the functionals of distributions can be a better alternative to the nonlocality issue of the exchange-correlation potentials. For this we study in detail the interacting and the non-interacting phase-space distributions for Hookes atom model. The applicability of ALDA-based TDDFT for the dynamics in strongfields can become severely problematic due to the failure of single-Slater determinant picture.. In the third chapter, we analyze how the phase-space distributions can shine some light into this problem. We do a comparative study of Kohn-Sham and interacting phase-space and momentum distributions for single ionization and double ionization systems. Using a simple model of two-electron systems, we have showed that the momentum distribution computed directly from the exact KS system contains spurious oscillations: a non-classical description of the essentially classical two-electron dynamics. In Time dependent density matrix functional theory (TDDMFT), the evolution scheme of the 1RDM (first order reduced density matrix) contains second-order reduced density matrix (2RDM), which has to be expressed in terms of 1RDMs. Any non-correlated approximations (Hartree-Fock) for 2RDM would fail to capture the natural occupations of the system. In our fourth chapter, we show that by applying the quasi-classical and semi-classical approximations one can capture the natural occupations of the excited systems. We study a time-dependent Moshinsky atom model for this. The fifth chapter contains a comparative work on the existing non-local exchange-correlation kernels that are based on current density response frame work and the co-moving frame work. We show that the two approaches though coinciding with each other in linear response regime, actually turn out to be different in non-linear regime.

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach.

PubMed

Rubinstein, Alexander I; Sabirianov, Renat F; Namavar, Fereydoon

2016-10-14

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ∼80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Effects of the dielectric properties of the ceramic-solvent interface on the binding of proteins to oxide ceramics: a non-local electrostatic approach

NASA Astrophysics Data System (ADS)

Rubinstein, Alexander I.; Sabirianov, Renat F.; Namavar, Fereydoon

2016-10-01

The rapid development of nanoscience and nanotechnology has raised many fundamental questions that significantly impede progress in these fields. In particular, understanding the physicochemical processes at the interface in aqueous solvents requires the development and application of efficient and accurate methods. In the present work we evaluate the electrostatic contribution to the energy of model protein-ceramic complex formation in an aqueous solvent. We apply a non-local (NL) electrostatic approach that accounts for the effects of the short-range structure of the solvent on the electrostatic interactions of the interfacial systems. In this approach the aqueous solvent is considered as a non-ionic liquid, with the rigid and strongly correlated dipoles of the water molecules. We have found that an ordered interfacial aqueous solvent layer at the protein- and ceramic-solvent interfaces reduces the charging energy of both the ceramic and the protein in the solvent, and significantly increases the electrostatic contribution to their association into a complex. This contribution in the presented NL approach was found to be significantly shifted with respect to the classical model at any dielectric constant value of the ceramics. This implies a significant increase of the adsorption energy in the protein-ceramic complex formation for any ceramic material. We show that for several biocompatible ceramics (for example HfO2, ZrO2, and Ta2O5) the above effect predicts electrostatically induced protein-ceramic complex formation. However, in the framework of the classical continuum electrostatic model (the aqueous solvent as a uniform dielectric medium with a high dielectric constant ˜80) the above ceramics cannot be considered as suitable for electrostatically induced complex formation. Our results also show that the protein-ceramic electrostatic interactions can be strong enough to compensate for the unfavorable desolvation effect in the process of protein-ceramic complex formation.

Convergence analysis of the alternating RGLS algorithm for the identification of the reduced complexity Volterra model.

PubMed

Laamiri, Imen; Khouaja, Anis; Messaoud, Hassani

2015-03-01

In this paper we provide a convergence analysis of the alternating RGLS (Recursive Generalized Least Square) algorithm used for the identification of the reduced complexity Volterra model describing stochastic non-linear systems. The reduced Volterra model used is the 3rd order SVD-PARAFC-Volterra model provided using the Singular Value Decomposition (SVD) and the Parallel Factor (PARAFAC) tensor decomposition of the quadratic and the cubic kernels respectively of the classical Volterra model. The Alternating RGLS (ARGLS) algorithm consists on the execution of the classical RGLS algorithm in alternating way. The ARGLS convergence was proved using the Ordinary Differential Equation (ODE) method. It is noted that the algorithm convergence canno׳t be ensured when the disturbance acting on the system to be identified has specific features. The ARGLS algorithm is tested in simulations on a numerical example by satisfying the determined convergence conditions. To raise the elegies of the proposed algorithm, we proceed to its comparison with the classical Alternating Recursive Least Squares (ARLS) presented in the literature. The comparison has been built on a non-linear satellite channel and a benchmark system CSTR (Continuous Stirred Tank Reactor). Moreover the efficiency of the proposed identification approach is proved on an experimental Communicating Two Tank system (CTTS). Copyright © 2014 ISA. Published by Elsevier Ltd. All rights reserved.

QMR: A Quasi-Minimal Residual method for non-Hermitian linear systems

NASA Technical Reports Server (NTRS)

Freund, Roland W.; Nachtigal, Noel M.

1990-01-01

The biconjugate gradient (BCG) method is the natural generalization of the classical conjugate gradient algorithm for Hermitian positive definite matrices to general non-Hermitian linear systems. Unfortunately, the original BCG algorithm is susceptible to possible breakdowns and numerical instabilities. A novel BCG like approach is presented called the quasi-minimal residual (QMR) method, which overcomes the problems of BCG. An implementation of QMR based on a look-ahead version of the nonsymmetric Lanczos algorithm is proposed. It is shown how BCG iterates can be recovered stably from the QMR process. Some further properties of the QMR approach are given and an error bound is presented. Finally, numerical experiments are reported.

Application of database methods to the prediction of B3LYP-optimized polyhedral water cluster geometries and electronic energies

NASA Astrophysics Data System (ADS)

Anick, David J.

2003-12-01

A method is described for a rapid prediction of B3LYP-optimized geometries for polyhedral water clusters (PWCs). Starting with a database of 121 B3LYP-optimized PWCs containing 2277 H-bonds, linear regressions yield formulas correlating O-O distances, O-O-O angles, and H-O-H orientation parameters, with local and global cluster descriptors. The formulas predict O-O distances with a rms error of 0.85 pm to 1.29 pm and predict O-O-O angles with a rms error of 0.6° to 2.2°. An algorithm is given which uses the O-O and O-O-O formulas to determine coordinates for the oxygen nuclei of a PWC. The H-O-H formulas then determine positions for two H's at each O. For 15 test clusters, the gap between the electronic energy of the predicted geometry and the true B3LYP optimum ranges from 0.11 to 0.54 kcal/mol or 4 to 18 cal/mol per H-bond. Linear regression also identifies 14 parameters that strongly correlate with PWC electronic energy. These descriptors include the number of H-bonds in which both oxygens carry a non-H-bonding H, the number of quadrilateral faces, the number of symmetric angles in 5- and in 6-sided faces, and the square of the cluster's estimated dipole moment.

Rotating Flow of Magnetite-Water Nanofluid over a Stretching Surface Inspired by Non-Linear Thermal Radiation.

PubMed

Mustafa, M; Mushtaq, A; Hayat, T; Alsaedi, A

2016-01-01

Present study explores the MHD three-dimensional rotating flow and heat transfer of ferrofluid induced by a radiative surface. The base fluid is considered as water with magnetite-Fe3O4 nanoparticles. Novel concept of non-linear radiative heat flux is considered which produces a non-linear energy equation in temperature field. Conventional transformations are employed to obtain the self-similar form of the governing differential system. The arising system involves an interesting temperature ratio parameter which is an indicator of small/large temperature differences in the flow. Numerical simulations with high precision are determined by well-known shooting approach. Both uniform stretching and rotation have significant impact on the solutions. The variation in velocity components with the nanoparticle volume fraction is non-monotonic. Local Nusselt number in Fe3O4-water ferrofluid is larger in comparison to the pure fluid even at low particle concentration.

Thermodynamic parameters of bonds in glassy materials from viscosity-temperature relationships.

PubMed

Ojovan, Michael I; Travis, Karl P; Hand, Russell J

2007-10-17

Doremus's model of viscosity assumes that viscous flow in amorphous materials is mediated by broken bonds (configurons). The resulting equation contains four coefficients, which are directly related to the entropies and enthalpies of formation and motion of the configurons. Thus by fitting this viscosity equation to experimental viscosity data these enthalpy and entropy terms can be obtained. The non-linear nature of the equation obtained means that the fitting process is non-trivial. A genetic algorithm based approach has been developed to fit the equation to experimental viscosity data for a number of glassy materials, including SiO 2 , GeO 2 , B 2 O 3 , anorthite, diopside, xNa 2 O-(1-x)SiO 2 , xPbO-(1-x)SiO 2 , soda-lime-silica glasses, salol, and α-phenyl-o-cresol. Excellent fits of the equation to the viscosity data were obtained over the entire temperature range. The fitting parameters were used to quantitatively determine the enthalpies and entropies of formation and motion of configurons in the analysed systems and the activation energies for flow at high and low temperatures as well as fragility ratios using the Doremus criterion for fragility. A direct anti-correlation between fragility ratio and configuron percolation threshold, which determines the glass transition temperature in the analysed materials, was found.

Avoiding Communication in Dense Linear Algebra

DTIC Science & Technology

2013-08-16

Definitions . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6 2.1.1 Asymptotic Notation . . . . . . . . . . . . . . . . . . . . . . . . . . . 6...and parallelizing Strassen’s matrix multiplication algorithm (Chapter 11). 6 Chapter 2 Preliminaries 2.1 Notation and Definitions In this section we...between computations and algo- rithms). The following definition is based on [56]: Definition 2.1. A classical algorithm in linear algebra is one that

Engineering non-linear resonator mode interactions in circuit QED by continuous driving: Introduction

NASA Astrophysics Data System (ADS)

Pfaff, Wolfgang; Reagor, Matthew; Heeres, Reinier; Ofek, Nissim; Chou, Kevin; Blumoff, Jacob; Leghtas, Zaki; Touzard, Steven; Sliwa, Katrina; Holland, Eric; Krastanov, Stefan; Frunzio, Luigi; Devoret, Michel; Jiang, Liang; Schoelkopf, Robert

2015-03-01

High-Q microwave resonators show great promise for storing and manipulating quantum states in circuit QED. Using resonator modes as such a resource in quantum information processing applications requires the ability to manipulate the state of a resonator efficiently. Further, one must engineer appropriate coupling channels without spoiling the coherence properties of the resonator. We present an architecture that combines millisecond lifetimes for photonic quantum states stored in a linear resonator with fast measurement provided by a low-Q readout resonator. We demonstrate experimentally how a continuous drive on a transmon can be utilized to generate highly non-classical photonic states inside the high-Q resonator via effective nonlinear resonator mode interactions. Our approach opens new avenues for using modes of long-lived linear resonators in the circuit QED platform for quantum information processing tasks.

Characterization of a ViI-like phage specific to Escherichia coli O157:H7

USDA-ARS?s Scientific Manuscript database

Phage vB_EcoM_CBA120 (CBA120) isolated against Escherichia coli O157:H7 from a cattle feedlot is morphologically very similar to the classic phage ViI of Salmonella enterica serovar Typhi. Until recently, little was known genetically or physiologically about the ViI-like phages, and non targeting E...

Nickel-copper oxide nanowires for highly sensitive sensing of glucose

NASA Astrophysics Data System (ADS)

Bai, Xiaofang; Chen, Wei; Song, Yanfang; Zhang, Jiazhou; Ge, Ruipeng; Wei, Wei; Jiao, Zheng; Sun, Yuhan

2017-10-01

Accurate determination of glucose is of considerable importance in diverse fields such as clinical diagnostics, biotechnology, and food industry. A low-cost and easy to scale-up approach has been developed for the preparation of nickel-copper oxide nanowires (Ni-CuO NWs) with hierarchical structures comprising porous NiO substrate and CuO nanowires. The successfully prepared Ni-CuO NWs were exploited as non-enzymatic electrochemical sensing probes for the reliable detection of glucose. Electrochemical measurements such as cyclic voltammetry (CV) and chronoamperometry (CA) illustrated that the Ni-CuO NWs exhibited excellent electrochemical performance toward glucose oxidation with a superior sensitivity of 5610.6 μA mM-1 cm-2, a low detection limit of 0.07 μM, a wide linear range from 0.2 to 3.0 mM, and a good selectivity. This was attributed to the synergetic effect of the hierarchical structures and active Ni(OH)2 surface species in Ni-CuO NWs. The rational design of the metal oxide composites provided an efficient strategy for the fabrication of electrochemical non-enzymatic sensors.

Time-Reversal Symmetry Breaking and Consequent Physical Responses Induced by All-In-All-Out Type Magnetic Order on the Pyrochlore Lattice

NASA Astrophysics Data System (ADS)

Arima, Taka-Hisa

2014-03-01

Pyrochlore-type 5d transition-metal oxide compounds Cd2Os2O7 and R2Ir2O7 (R =rare earth) undergo a metal-insulator transition accompanied by a magnetic transition. Recently, the magnetic structures of Cd2Os2O7 and Eu2Ir2O7 were investigated by means of resonant x-ray magnetic scattering. The x-ray data indicated the all-in/all-out type magnetic order. The all-in/all-out order breaks the time-reversal symmetry, while the spontaneous magnetization is essentially absent. The magnetic order can be viewed as ferroic magnetic octupolar order. The magnetic order is expected to provide several unique physical properties like quadratic magnetization. linear magneto-capacitance, linear magneto-resistance, linear magneto-mechanical coupling and so on. The symmetry breaking results in two non-equivalent domains, ``all-in/all-out'' and ``all-out/all-in.'' Interestingly, some theoretical works predict that a peculiar metallic state would appear on the domain wall. The observation and control of the domain distribution are essential for studying verious exotic physical responses. We have developed an x-ray technique for domain imaging and started studying the effects of external stimuli on the domain distribution. This work was performed in collaboration with S. Tardif, S. Takeshita, H. Ohsumi, D. Uematsu, H. Sagayama, J. J. Ishikawa, S. Nakatsuji, J. Yamaura, and Z. Hiroi.

Reductions in finite-dimensional integrable systems and special points of classical r-matrices

NASA Astrophysics Data System (ADS)

Skrypnyk, T.

2016-12-01

For a given 𝔤 ⊗ 𝔤-valued non-skew-symmetric non-dynamical classical r-matrices r(u, v) with spectral parameters, we construct the general form of 𝔤-valued Lax matrices of finite-dimensional integrable systems satisfying linear r-matrix algebra. We show that the reduction in the corresponding finite-dimensional integrable systems is connected with "the special points" of the classical r-matrices in which they become degenerated. We also propose a systematic way of the construction of additional integrals of the Lax-integrable systems associated with the symmetries of the corresponding r-matrices. We consider examples of the Lax matrices and integrable systems that are obtained in the framework of the general scheme. Among them there are such physically important systems as generalized Gaudin systems in an external magnetic field, ultimate integrable generalization of Toda-type chains (including "modified" or "deformed" Toda chains), generalized integrable Jaynes-Cummings-Dicke models, integrable boson models generalizing Bose-Hubbard dimer models, etc.

Derivation of force field parameters for SnO2-H2O surface systems from plane-wave density functional theory calculations.

PubMed

Bandura, A V; Sofo, J O; Kubicki, J D

2006-04-27

Plane-wave density functional theory (DFT-PW) calculations were performed on bulk SnO2 (cassiterite) and the (100), (110), (001), and (101) surfaces with and without H2O present. A classical interatomic force field has been developed to describe bulk SnO2 and SnO2-H2O surface interactions. Periodic density functional theory calculations using the program VASP (Kresse et al., 1996) and molecular cluster calculations using Gaussian 03 (Frisch et al., 2003) were used to derive the parametrization of the force field. The program GULP (Gale, 1997) was used to optimize parameters to reproduce experimental and ab initio results. The experimental crystal structure and elastic constants of SnO2 are reproduced reasonably well with the force field. Furthermore, surface atom relaxations and structures of adsorbed H2O molecules agree well between the ab initio and force field predictions. H2O addition above that required to form a monolayer results in consistent structures between the DFT-PW and classical force field results as well.

The fate of a gray soliton in a quenched Bose-Einstein condensate

NASA Astrophysics Data System (ADS)

Gamayun, Oleksandr; Bezvershenko, Yulia; Cheianov, Vadim

2015-03-01

We investigate the destiny of a gray soliton in a repulsive one-dimensional Bose-Einstein condensate undergoing a sudden quench of the non-linearity parameter. The outcome of the quench is found to depend dramatically on the ratio η of the final and initial values of the speed of sound. For integer η the soliton splits into exactly 2 η - 1 solitons. For non-integer η the soliton decays into multiple solitons and Bogoliubov modes. The case of integer η is analyzed in detail. The parameters of solitons in the out-state are found explicitly. Our approach exploits the inverse scattering method and can be easily used for the similar quenches in any classical integrable system.

Gromov-Witten invariants and localization

NASA Astrophysics Data System (ADS)

Morrison, David R.

2017-11-01

We give a pedagogical review of the computation of Gromov-Witten invariants via localization in 2D gauged linear sigma models. We explain the relationship between the two-sphere partition function of the theory and the Kähler potential on the conformal manifold. We show how the Kähler potential can be assembled from classical, perturbative, and non-perturbative contributions, and explain how the non-perturbative contributions are related to the Gromov-Witten invariants of the corresponding Calabi-Yau manifold. We then explain how localization enables efficient calculation of the two-sphere partition function and, ultimately, the Gromov-Witten invariants themselves. This is a contribution to the review issue ‘Localization techniques in quantum field theories’ (ed V Pestun and M Zabzine) which contains 17 chapters, available at [1].

Constraints on higher spin CFT2

NASA Astrophysics Data System (ADS)

Afkhami-Jeddi, Nima; Colville, Kale; Hartman, Thomas; Maloney, Alexander; Perlmutter, Eric

2018-05-01

We derive constraints on two-dimensional conformal field theories with higher spin symmetry due to unitarity, modular invariance, and causality. We focus on CFTs with W_N symmetry in the "irrational" regime, where c > N - 1 and the theories have an infinite number of higher-spin primaries. The most powerful constraints come from positivity of the Kac matrix, which (unlike the Virasoro case) is non-trivial even when c > N - 1. This places a lower bound on the dimension of any non-vacuum higher-spin primary state, which is linear in the central charge. At large c, this implies that the dual holographic theories of gravity in AdS3, if they exist, have no local, perturbative degrees of freedom in the semi-classical limit.

5-Acetamido-3,5-dideoxy-L-glycero-L-manno-non-2-ulosonic acid-containing O-polysaccharide from marine bacterium Pseudomonas glareae KMM 9500T.

PubMed

Kokoulin, Maxim S; Kalinovsky, Anatoly I; Romanenko, Lyudmila A; Mikhailov, Valery V

2018-05-22

The O-polysaccharide was isolated from the lipopolysaccharide of a marine bacterium Pseudomonas glareae KMM 9500 T and studied by chemical methods along with 1D and 2D 1 H and 13 C NMR spectroscopy including 1 H, 1 H-TOCSY, 1 H, 1 H-COSY, 1 H, 1 H-ROESY, 1 H, 13 C-HSQC and 1 H, 13 C-HMBC experiments. The O-polysaccharide was found to consist of linear tetrasaccharide repeating units constituted by D-glucuronic acid (D-GlcA), L-rhamnose (L-Rha), D-glucose (D-Glc) and 5-acetamido-7,9-O-[(S)-1-carboxyethylidene]-3,5-dideoxy-L-glycero-L-manno-non-2-ulosonic acid (Sug7,9(S-Pyr)), partially O-acetylated at position 8 (∼70%): →4)-α-D-GlcpA-(1→3)-β-L-Rhap-(1→4)-β-D-Glcp-(1→4)-β-Sugp8Ac(∼70%)7,9(S-Pyr)-(2→. Copyright © 2018 Elsevier Ltd. All rights reserved.

Isometries and binary images of linear block codes over ℤ4 + uℤ4 and ℤ8 + uℤ8

NASA Astrophysics Data System (ADS)

Sison, Virgilio; Remillion, Monica

2017-10-01

Let {{{F}}}2 be the binary field and ℤ2 r the residue class ring of integers modulo 2 r , where r is a positive integer. For the finite 16-element commutative local Frobenius non-chain ring ℤ4 + uℤ4, where u is nilpotent of index 2, two weight functions are considered, namely the Lee weight and the homogeneous weight. With the appropriate application of these weights, isometric maps from ℤ4 + uℤ4 to the binary spaces {{{F}}}24 and {{{F}}}28, respectively, are established via the composition of other weight-based isometries. The classical Hamming weight is used on the binary space. The resulting isometries are then applied to linear block codes over ℤ4+ uℤ4 whose images are binary codes of predicted length, which may or may not be linear. Certain lower and upper bounds on the minimum distances of the binary images are also derived in terms of the parameters of the ℤ4 + uℤ4 codes. Several new codes and their images are constructed as illustrative examples. An analogous procedure is performed successfully on the ring ℤ8 + uℤ8, where u 2 = 0, which is a commutative local Frobenius non-chain ring of order 64. It turns out that the method is possible in general for the class of rings ℤ2 r + uℤ2 r , where u 2 = 0, for any positive integer r, using the generalized Gray map from ℤ2 r to {{{F}}}2{2r-1}.

Parallel conjugate gradient algorithms for manipulator dynamic simulation

NASA Technical Reports Server (NTRS)

Fijany, Amir; Scheld, Robert E.

1989-01-01

Parallel conjugate gradient algorithms for the computation of multibody dynamics are developed for the specialized case of a robot manipulator. For an n-dimensional positive-definite linear system, the Classical Conjugate Gradient (CCG) algorithms are guaranteed to converge in n iterations, each with a computation cost of O(n); this leads to a total computational cost of O(n sq) on a serial processor. A conjugate gradient algorithms is presented that provide greater efficiency using a preconditioner, which reduces the number of iterations required, and by exploiting parallelism, which reduces the cost of each iteration. Two Preconditioned Conjugate Gradient (PCG) algorithms are proposed which respectively use a diagonal and a tridiagonal matrix, composed of the diagonal and tridiagonal elements of the mass matrix, as preconditioners. Parallel algorithms are developed to compute the preconditioners and their inversions in O(log sub 2 n) steps using n processors. A parallel algorithm is also presented which, on the same architecture, achieves the computational time of O(log sub 2 n) for each iteration. Simulation results for a seven degree-of-freedom manipulator are presented. Variants of the proposed algorithms are also developed which can be efficiently implemented on the Robot Mathematics Processor (RMP).

DFT study of gases adsorption on sharp tip nano-catalysts surface for green fertilizer synthesis

NASA Astrophysics Data System (ADS)

Yahya, Noorhana; Irfan, Muhammad; Shafie, Afza; Soleimani, Hassan; Alqasem, Bilal; Rehman, Zia Ur; Qureshi, Saima

2016-11-01

The energy minimization and spin modifications of sorbates with sorbents in magnetic induction method (MIM) play a vital role in yield of fertilizer. Hence, in this article the focus of study is the interaction of sorbates/reactants (H2, N2 and CO2) in term of average total adsorption energies, average isosteric heats of adsorption energies, magnetic moments, band gaps energies and spin modifications over identical cone tips nanocatalyst (sorbents) of Fe2O3, Fe3O4 (magnetic), CuO and Al2O3 (non-magnetic) for green nano-fertilizer synthesis. Study of adsorption energy, band structures and density of states of reactants with sorbents are purely classical and quantum mechanical based concepts that are vividly illustrated and supported by ADSORPTION LOCATOR and Cambridge Seriel Total Energy Package (CASTEP) modules following classical and first principle DFT simulation study respectively. Maximum values of total average energies, total average adsorption energies and average adsorption energies of H2, N2 and CO2 molecules are reported as -14.688 kcal/mol, -13.444 kcal/mol, -3.130 kcal/mol, - kcal/mol and -6.348 kcal/mol over Al2O3 cone tips respectively and minimum over magnetic cone tips. Whereas, the maximum and average minimum values of average isosteric heats of adsorption energies of H2, N2 and CO2 molecules are figured out to be 3.081 kcal/mol, 4.842 kcal/mol and 6.848 kcal/mol, 0.988 kcal/mol, 1.554 kcal/mol and 2.236 kcal/mol over aluminum oxide and Fe3O4 cone tips respectively. In addition to the adsorption of reactants over identical cone sorbents the maximum and minimum values of net spin, electrons and number of bands for magnetite and aluminum oxide cone structures are attributed to 82 and zero, 260 and 196, 206 and 118 for Fe3O4 and Al2O3 cones respectively. Maximum and least observed values of band gap energies are figured out to be 0.188 eV and 0.018 eV with Al2O3 and Fe3O4 cone structures respectively. Ultimately, with the adsorption of reactants an identical increment of 14 electrons each in up and down spins is resulted.

Application of classical thermodynamics to the conductivity in non-polar media

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gourdin-Bertin, S.; Chassagne, C.

Electrical conductivity in non-polar media is a subject which recently regained interest. If most of experiments and theoretical developments were done more than 50 years ago, new experiments and theories have been recently published. As the electrical conductivity describes, at low field, the equilibrium state of a system, it is natural to apply theories based on equilibrium thermodynamics. In this article, well-established classical thermodynamics and solvations models are applied to recently published data. This enables to get a new insight in intriguing phenomena, such as the linear dependence of the conductivity on the concentration of ionic surfactant and the evaluationmore » of conductivity for the mixture of two miscible fluids, such as alcohol and alcane, which have very different conductivities.« less

Representing and selecting vibrational angular momentum states for quasiclassical trajectory chemical dynamics simulations.

PubMed

Lourderaj, Upakarasamy; Martínez-Núñez, Emilio; Hase, William L

2007-10-18

Linear molecules with degenerate bending modes have states, which may be represented by the quantum numbers N and L. The former gives the total energy for these modes and the latter identifies their vibrational angular momentum jz. In this work, the classical mechanical analog of the N,L-quantum states is reviewed, and an algorithm is presented for selecting initial conditions for these states in quasiclassical trajectory chemical dynamics simulations. The algorithm is illustrated by choosing initial conditions for the N = 3 and L = 3 and 1 states of CO2. Applications of this algorithm are considered for initial conditions without and with zero-point energy (zpe) included in the vibrational angular momentum states and the C-O stretching modes. The O-atom motions in the x,y-plane are determined for these states from classical trajectories in Cartesian coordinates and are compared with the motion predicted by the normal-mode model. They are only in agreement for the N = L = 3 state without vibrational angular momentum zpe. For the remaining states, the Cartesian O-atom motions are considerably different from the elliptical motion predicted by the normal-mode model. This arises from bend-stretch coupling, including centrifugal distortion, in the Cartesian trajectories, which results in tubular instead of elliptical motion. Including zpe in the C-O stretch modes introduces considerable complexity into the O-atom motions for the vibrational angular momentum states. The short-time O-atom motions for these trajectories are highly irregular and do not appear to have any identifiable characteristics. However, the O-atom motions for trajectories integrated for substantially longer period of times acquire unique properties. With C-O stretch zpe included, the long-time O-atom motion becomes tubular for trajectories integrated to approximately 14 ps for the L = 3 states and to approximately 44 ps for the L = 1 states.

Experimental and numerical analysis of pre-compressed masonry walls in two-way-bending with second order effects

NASA Astrophysics Data System (ADS)

Milani, Gabriele; Olivito, Renato S.; Tralli, Antonio

2014-10-01

The buckling behavior of slender unreinforced masonry (URM) walls subjected to axial compression and out-of-plane lateral loads is investigated through a combined experimental and numerical homogenizedapproach. After a preliminary analysis performed on a unit cell meshed by means of elastic FEs and non-linear interfaces, macroscopic moment-curvature diagrams so obtained are implemented at a structural level, discretizing masonry by means of rigid triangular elements and non-linear interfaces. The non-linear incremental response of the structure is accounted for a specific quadratic programming routine. In parallel, a wide experimental campaign is conducted on walls in two way bending, with the double aim of both validating the numerical model and investigating the behavior of walls that may not be reduced to simple cantilevers or simply supported beams. Panels investigated are dry-joint in scale square walls simply supported at the base and on a vertical edge, exhibiting the classical Rondelet's mechanism. The results obtained are compared with those provided by the numerical model.

Segregating gas from melt: an experimental study of the Ostwald ripening of vapor bubbles in magmas

USGS Publications Warehouse

Lautze, Nicole C.; Sisson, Thomas W.; Mangan, Margaret T.; Grove, Timothy L.

2011-01-01

Diffusive coarsening (Ostwald ripening) of H2O and H2O-CO2 bubbles in rhyolite and basaltic andesite melts was studied with elevated temperature–pressure experiments to investigate the rates and time spans over which vapor bubbles may enlarge and attain sufficient buoyancy to segregate in magmatic systems. Bubble growth and segregation are also considered in terms of classical steady-state and transient (non-steady-state) ripening theory. Experimental results are consistent with diffusive coarsening as the dominant mechanism of bubble growth. Ripening is faster in experiments saturated with pure H2O than in those with a CO2-rich mixed vapor probably due to faster diffusion of H2O than CO2 through the melt. None of the experimental series followed the time1/3 increase in mean bubble radius and time-1 decrease in bubble number density predicted by classical steady-state ripening theory. Instead, products are interpreted as resulting from transient regime ripening. Application of transient regime theory suggests that bubbly magmas may require from days to 100 years to reach steady-state ripening conditions. Experimental results, as well as theory for steady-state ripening of bubbles that are immobile or undergoing buoyant ascent, indicate that diffusive coarsening efficiently eliminates micron-sized bubbles and would produce mm-sized bubbles in 102–104 years in crustal magma bodies. Once bubbles attain mm-sizes, their calculated ascent rates are sufficient that they could transit multiple kilometers over hundreds to thousands of years through mafic and silicic melt, respectively. These results show that diffusive coarsening can facilitate transfer of volatiles through, and from, magmatic systems by creating bubbles sufficiently large for rapid ascent.

Response statistics of rotating shaft with non-linear elastic restoring forces by path integration

NASA Astrophysics Data System (ADS)

Gaidai, Oleg; Naess, Arvid; Dimentberg, Michael

2017-07-01

Extreme statistics of random vibrations is studied for a Jeffcott rotor under uniaxial white noise excitation. Restoring force is modelled as elastic non-linear; comparison is done with linearized restoring force to see the force non-linearity effect on the response statistics. While for the linear model analytical solutions and stability conditions are available, it is not generally the case for non-linear system except for some special cases. The statistics of non-linear case is studied by applying path integration (PI) method, which is based on the Markov property of the coupled dynamic system. The Jeffcott rotor response statistics can be obtained by solving the Fokker-Planck (FP) equation of the 4D dynamic system. An efficient implementation of PI algorithm is applied, namely fast Fourier transform (FFT) is used to simulate dynamic system additive noise. The latter allows significantly reduce computational time, compared to the classical PI. Excitation is modelled as Gaussian white noise, however any kind distributed white noise can be implemented with the same PI technique. Also multidirectional Markov noise can be modelled with PI in the same way as unidirectional. PI is accelerated by using Monte Carlo (MC) estimated joint probability density function (PDF) as initial input. Symmetry of dynamic system was utilized to afford higher mesh resolution. Both internal (rotating) and external damping are included in mechanical model of the rotor. The main advantage of using PI rather than MC is that PI offers high accuracy in the probability distribution tail. The latter is of critical importance for e.g. extreme value statistics, system reliability, and first passage probability.

Quantum deformations of conformal algebras with mass-like deformation parameters

DOE Office of Scientific and Technical Information (OSTI.GOV)

Frydryszak, Andrzej; Lukierski, Jerzy; Mozrzymas, Marek

1998-12-15

We recall the mathematical apparatus necessary for the quantum deformation of Lie algebras, namely the notions of coboundary Lie algebras, classical r-matrices, classical Yang-Baxter equations (CYBE), Froebenius algebras and parabolic subalgebras. Then we construct the quantum deformation of D=1, D=2 and D=3 conformal algebras, showing that this quantization introduce fundamental mass parameters. Finally we consider with more details the quantization of D=4 conformal algebra. We build three classes of sl(4,C) classical r-matrices, satisfying CYBE and depending respectively on 8, 10 and 12 generators of parabolic subalgebras. We show that only the 8-dimensional r-matrices allow to impose the D=4 conformal o(4,2){approx_equal}su(2,2)more » reality conditions. Weyl reflections and Dynkin diagram automorphisms for o(4,2) define the class of admissible bases for given classical r-matrices.« less

Diophantine Equations as a Context for Technology-Enhanced Training in Conjecturing and Proving

ERIC Educational Resources Information Center

Abramovich, Sergei; Sugden, Stephen J.

2008-01-01

Solving indeterminate algebraic equations in integers is a classic topic in the mathematics curricula across grades. At the undergraduate level, the study of solutions of non-linear equations of this kind can be motivated by the use of technology. This article shows how the unity of geometric contextualization and spreadsheet-based amplification…

Preparation of Stable Photopatternable Polymeric Materials for Non- linear Optics

DTIC Science & Technology

1993-05-01

Scheme 3 OC 2)2-, .~(CH 2)2O N"I ~ NI H IH NCO dibutyltin-0 6a + OCN dilaurateD, DMF 0 0a r - 0 0 -N)K 0(CH22,,(H)OAN I Id H IHo=s= o NCO0n 6b + OC...Angerer, V. Desobry, K. Dietliker, R . Husler ; Proc. 16th Inter. Cont. in Ort nic Coatings Science and Technology, (July 9-13, 1990) Athens, Greece, 423. 7 ...AD-A265 359 O AGMB N.’ 0704-0Orpq 1. AGEN My1,993 3. REPORT TYPE AND OATES COVERED May12 T99 Technical Re port # IQ. 4. TITLE AND SUBTITLE 5. FUNDING

Phase space information in a non-linear quantum system containing a Kerr-like medium through Su(1, 1)-algebraic treatment

NASA Astrophysics Data System (ADS)

Mohamed, Abdel-Baset A.

2018-05-01

Analytical description for a Su(2)-quantum system interacting with a damped Su(1, 1)-cavity, which is filled with a non-linear Kerr medium, is presented. The dynamics of non-classicality of Su(1, 1)-state is investigated via the negative part of the Wigner function. We show that the negative part depends on the unitary interaction and the Kerr-like medium and it can be disappeared by increasing the dissipation rate and the detuning parameter. The phase space information of the Husimi function and its Wehrl density is very sensitive not only to the coupling to the environment and the unitary interaction but also to the detuning as well as to the Kerr-like medium. The phase space information may be completely erased by increasing the coupling to the environment. The coherence loss of the Su(2)-state is investigated via the Husimi Wehrl entropy. If the effects of the detuning parameter or/and of the Kerr-like medium are combined with the damping effect, the damping effect of the coupling to the environment may be weaken, and the Wehrl entropy is delayed to reach its steady-state value. At the steady-state value, the phase space information and the coherence are quickly lost.

Electrically driven polarized single-photon emission from an InGaN quantum dot in a GaN nanowire.

PubMed

Deshpande, Saniya; Heo, Junseok; Das, Ayan; Bhattacharya, Pallab

2013-01-01

In a classical light source, such as a laser, the photon number follows a Poissonian distribution. For quantum information processing and metrology applications, a non-classical emitter of single photons is required. A single quantum dot is an ideal source of single photons and such single-photon sources in the visible spectral range have been demonstrated with III-nitride and II-VI-based single quantum dots. It has been suggested that short-wavelength blue single-photon emitters would be useful for free-space quantum cryptography, with the availability of high-speed single-photon detectors in this spectral region. Here we demonstrate blue single-photon emission with electrical injection from an In0.25Ga0.75N quantum dot in a single nanowire. The emitted single photons are linearly polarized along the c axis of the nanowire with a degree of linear polarization of ~70%.

Ultra-sensitive non-aggregation colorimetric sensor for detection of iron based on the signal amplification effect of Fe3+ catalyzing H2O2 oxidize gold nanorods.

PubMed

Liu, Jia-Ming; Wang, Xin-Xing; Jiao, Li; Cui, Ma-Lin; Lin, Li-Ping; Zhang, Li-Hong; Jiang, Shu-Lian

2013-11-15

Fe(3+) can catalyze H2O2 to oxidize along on the longitudinal axis of gold nanorods (AuNRs), which caused the aspect ratio of AuNRs to decrease, longitudinal plasmon absorption band (LPAB) of AuNRs to blueshift (Δλ) and the color of the solution to change obviously. Thus, a rapid response and highly sensitive non-aggregation colorimetric sensor for the determination of Fe(3+) has been developed based on the signal amplification effect of catalyzing H2O2 to oxidize AuNRs. This simple and selective sensor with a wide linear range of 0.20-30.00 μM has been utilized to detect Fe(3+) in blood samples, and the results consisted with those obtained by inductively coupled plasma-mass spectroscopy (ICP-MS). Simultaneously, the mechanism of colorimetric sensor for the detection of Fe(3+) was also discussed. Copyright © 2013 Elsevier B.V. All rights reserved.

Integrin αMβ2 is differently expressed by subsets of human osteoclast precursors and mediates adhesion of classical monocytes to bone

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sprangers, Sara, E-mail: s.l.sprangers@acta.nl; Schoenmaker, Ton, E-mail: t.schoenmaker@acta.nl; Department of Periodontology, Academic Centre for Dentistry Amsterdam

Bone-degrading osteoclasts are formed through fusion of their monocytic precursors. In the population of human peripheral blood monocytes, three distinct subsets have been identified: classical, intermediate and non-classical monocytes. We have previously shown that when the monocyte subsets are cultured on bone, significantly more osteoclasts are formed from classical monocytes than from intermediate or non-classical monocytes. Considering that this difference does not exist when monocyte subsets are cultured on plastic, we hypothesized that classical monocytes adhere better to the bone surface compared to intermediate and non-classical monocytes. To investigate this, the different monocyte subsets were isolated from human peripheral bloodmore » and cultured on slices of human bone in the presence of the cytokine M-CSF. We found that classical monocytes adhere better to bone due to a higher expression of the integrin αMβ2 and that their ability to attach to bone is significantly decreased when the integrin is blocked. This suggests that integrin αMβ2 mediates attachment of osteoclast precursors to bone and thereby enables the formation of osteoclasts.« less

The Multi-Player Performance-Enhancing Drug Game

PubMed Central

Haugen, Kjetil K.; Nepusz, Tamás; Petróczi, Andrea

2013-01-01

This paper extends classical work on economics of doping into a multi-player game setting. Apart from being among the first papers formally formulating and analysing a multi-player doping situation, we find interesting results related to different types of Nash-equilibria (NE). Based mainly on analytic results, we claim at least two different NE structures linked to the choice of prize functions. Linear prize functions provide NEs characterised by either everyone or nobody taking drugs, while non-linear prize functions lead to qualitatively different NEs with significantly more complex predictive characteristics. PMID:23691018

Spatially resolved frequency domain phosphorescence lifetime-based oxygen sensing for photodynamic therapy

NASA Astrophysics Data System (ADS)

Lai, Benjamin; Gurari, Mark; Wee, Wallace; Lilge, Lothar

2008-06-01

Photodynamic Therapy (PDT) is a minimally invasive treatment that uses a photosensitive drug into convert triplet state oxygen (3O2) to singlet oxygen (1O2) to destroy malignant tissue. A fiber-optic system based on frequency domain detection of phosphorescence quenching by 3O2 is described which optically measures the distribution of 3O2 in the treatment volume during PDT to permit adjustments of treatment parameters to improve outcome. A specially designed fiber optic probe containing phosphorescent sensors embedded along its length permit spatially resolved measurements. Each sensor is composed of a phosphorescent metalloporphyrin compound that emits a characteristic spectrum. Four candidate sensors with high absorption at the excitation wavelength of 405nm and emission in the 650nm to 700nm region are considered. The dependence of phosphorescence lifetime (τ) on 3O2 concentration is described by the linearized Stern-Volmer relationship as being inversely proportional. Determination of τ, and hence 3O2 concentration, is accomplished in the frequency domain by means of phase-modulation detection of the phosphorescence signal due to an amplitude modulated excitation. The τ's of each sensor are recovered by performing global non-linear least squares fit on the measured phase and modulation index over a range of frequencies and wavelengths. With the τ of each sensor known, the oxygen concentration at each sensor's location can be determined with the Stern-Volmer relationship.

Evaluating Mass Analyzers as Candidates for Small, Portable, Rugged Single Point Mass Spectrometers for Analysis of Permanent Gases

NASA Technical Reports Server (NTRS)

Arkin, C. Richard; Ottens, Andrew K.; Diaz, Jorge A.; Griffin, Timothy P.; Follestein, Duke; Adams, Fredrick; Steinrock, T. (Technical Monitor)

2001-01-01

For Space Shuttle launch safety, there is a need to monitor the concentration Of H2, He, O2, and Ar around the launch vehicle. Currently a large mass spectrometry system performs this task, using long transport lines to draw in samples. There is great interest in replacing this stationary system with several miniature, portable, rugged mass spectrometers which act as point sensors which can be placed at the sampling point. Five commercial and two non-commercial analyzers are evaluated. The five commercial systems include the Leybold Inficon XPR-2 linear quadrupole, the Stanford Research (SRS-100) linear quadrupole, the Ferran linear quadrupole array, the ThermoQuest Polaris-Q quadrupole ion trap, and the IonWerks Time-of-Flight (TOF). The non-commercial systems include a compact double focusing sector (CDFMS) developed at the University of Minnesota, and a quadrupole ion trap (UF-IT) developed at the University of Florida.

Compositional dependence of elastic moduli for transition-metal oxide spinels

NASA Astrophysics Data System (ADS)

Reichmann, H. J.; Jacobsen, S. D.; Boffa Ballaran, T.

2012-12-01

Spinel phases (AB2O4) are common non-silicate oxides in the Earth's crust and upper mantle. A characteristic of this mineral group is the ability to host a wide range of transition metals. Here we summarize the influence of transition metals (Fe, Zn, and Mn) on the pressure dependence of elastic moduli of related spinels (magnetite, gahnite, and franklinite) using GHz-ultrasonic interferometry. Measurements were carried out up to 10 GPa in diamond-anvil cells using hydrostatic pressure media. Transition metals with unfilled 3d orbitals strongly influence the elastic properties of spinels. Franklinite (Zn,Mn)Fe2O4 and magnetite Fe3O4 with transition metals on both A and B cation sites exhibit pressure-induced mode softening of C44, whereas C44 of gahnite(ZnAl2O4) and spinel (MgAl2O4) exhibit positive pressure derivatives of the shear moduli. Spinels with two transition elements tend to undergo phase changes at a lower pressure than those with none or only one transition metal. Along the Mn-Zn solid solution, the variation of moduli with composition is non-linear, and a mid-range franklinite composition studied here shows a minimum in C44 compared with either end-member: MnFe2O 4 or ZnFe2O4. In general, the linear variation of sound velocity with density (Birch's Law) is followed by spinels, however spinels containing only one or no transition metals follow a distinct slope from those containing transition metals on both A and B sites. The Cauchy relation, 0.5(C12 - C44) = P is fulfilled by spinels with only one or no transition metals, suggesting that that Coulomb interactions dominate. Spinels with two transition metals fail to meet the Cauchy relation, indicating strong directional dependence and covalent character of bonding. The bonding character of transition metals is crucial to understanding the elastic behavior of natural and synthetic spinel solid solutions containing transition metals.

Optimal processor assignment for pipeline computations

NASA Technical Reports Server (NTRS)

Nicol, David M.; Simha, Rahul; Choudhury, Alok N.; Narahari, Bhagirath

1991-01-01

The availability of large scale multitasked parallel architectures introduces the following processor assignment problem for pipelined computations. Given a set of tasks and their precedence constraints, along with their experimentally determined individual responses times for different processor sizes, find an assignment of processor to tasks. Two objectives are of interest: minimal response given a throughput requirement, and maximal throughput given a response time requirement. These assignment problems differ considerably from the classical mapping problem in which several tasks share a processor; instead, it is assumed that a large number of processors are to be assigned to a relatively small number of tasks. Efficient assignment algorithms were developed for different classes of task structures. For a p processor system and a series parallel precedence graph with n constituent tasks, an O(np2) algorithm is provided that finds the optimal assignment for the response time optimization problem; it was found that the assignment optimizing the constrained throughput in O(np2log p) time. Special cases of linear, independent, and tree graphs are also considered.

Transferable atomistic model to describe the energetics of zirconia

NASA Astrophysics Data System (ADS)

Wilson, Mark; Schönberger, Uwe; Finnis, Michael W.

1996-10-01

We have investigated the energies of a number of phases of ZrO2 using models of an increasing degree of sophistication: the simple ionic model, the polarizable ion model, the compressible ion model, and finally a model including quadrupole polarizability of the oxygen ions. The three structures which are observed with increasing temperatures are monoclinic, tetragonal, and cubic (fluorite). Besides these we have studied some hypothetical structures which certain potentials erroneously predict or which occur in other oxides with this stoichiometry, e.g., the α-PbO2 structure and rutile. We have also performed ab initio density functional calculations with the full-potential linear combination of muffin-tin orbitals method to investigate the cubic-tetragonal distortion. A detailed comparison is made between the results using classical potentials, the experimental data, and our own and other ab initio results. The factors which stabilize the various structure are analyzed. We find the only genuinely transferable model is the one including compressible ions and anion polarizability to the quadrupole level.

Quantum mechanics in noninertial reference frames: Violations of the nonrelativistic equivalence principle

DOE Office of Scientific and Technical Information (OSTI.GOV)

Klink, W.H.; Wickramasekara, S., E-mail: wickrama@grinnell.edu; Department of Physics, Grinnell College, Grinnell, IA 50112

2014-01-15

In previous work we have developed a formulation of quantum mechanics in non-inertial reference frames. This formulation is grounded in a class of unitary cocycle representations of what we have called the Galilean line group, the generalization of the Galilei group that includes transformations amongst non-inertial reference frames. These representations show that in quantum mechanics, just as is the case in classical mechanics, the transformations to accelerating reference frames give rise to fictitious forces. A special feature of these previously constructed representations is that they all respect the non-relativistic equivalence principle, wherein the fictitious forces associated with linear acceleration canmore » equivalently be described by gravitational forces. In this paper we exhibit a large class of cocycle representations of the Galilean line group that violate the equivalence principle. Nevertheless the classical mechanics analogue of these cocycle representations all respect the equivalence principle. -- Highlights: •A formulation of Galilean quantum mechanics in non-inertial reference frames is given. •The key concept is the Galilean line group, an infinite dimensional group. •A large class of general cocycle representations of the Galilean line group is constructed. •These representations show violations of the equivalence principle at the quantum level. •At the classical limit, no violations of the equivalence principle are detected.« less

Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1996-03-01

In the lattice formulation of the Heavy Quark Effective Theory (LHQET), the "classical velocity" v becomes renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. The renormalization is finite and depends on the form of the decretization of the reduced heavy quark Dirac equation. For the Forward Time — Centered Space discretization, the renormalization is computed both perturbatively, to one loop, and non-perturbatively using two ensembles of lattices, one at β = 5.7 and the other at β = 6.1 The estimates agree, and indicate that for small classical velocities, ν→ is reduced by about 25-30%.

A direct borohydride fuel cell with a polymer fiber membrane and non-noble metal catalysts

PubMed Central

Yang, Xiaodong; Liu, Yongning; Li, Sai; Wei, Xiaozhu; Wang, Li; Chen, Yuanzhen

2012-01-01

Polymer electrolyte membranes (PEM) and Pt-based catalysts are two crucial components which determine the properties and price of fuel cells. Even though, PEM faces problem of fuel crossover in liquid fuel cells such as direct methanol fuel cell (DMFC) and direct borohydride fuel cell (DBFC), which lowers power output greatly. Here, we report a DBFC in which a polymer fiber membrane (PFM) was used, and metal oxides, such as LaNiO3 and MnO2, were used as cathode catalysts, meanwhile CoO was used as anode catalyst. Peak power density of 663 mW·cm−2 has been achieved at 65°C, which increases by a factor of 1.7–3.7 compared with classic DBFCs. This fuel cell structure can also be extended to other liquid fuel cells, such as DMFC. PMID:22880160

A fast direct method for block triangular Toeplitz-like with tri-diagonal block systems from time-fractional partial differential equations

NASA Astrophysics Data System (ADS)

Ke, Rihuan; Ng, Michael K.; Sun, Hai-Wei

2015-12-01

In this paper, we study the block lower triangular Toeplitz-like with tri-diagonal blocks system which arises from the time-fractional partial differential equation. Existing fast numerical solver (e.g., fast approximate inversion method) cannot handle such linear system as the main diagonal blocks are different. The main contribution of this paper is to propose a fast direct method for solving this linear system, and to illustrate that the proposed method is much faster than the classical block forward substitution method for solving this linear system. Our idea is based on the divide-and-conquer strategy and together with the fast Fourier transforms for calculating Toeplitz matrix-vector multiplication. The complexity needs O (MNlog2 ⁡ M) arithmetic operations, where M is the number of blocks (the number of time steps) in the system and N is the size (number of spatial grid points) of each block. Numerical examples from the finite difference discretization of time-fractional partial differential equations are also given to demonstrate the efficiency of the proposed method.

Direct Simulation Monte Carlo Application of the Three Dimensional Forced Harmonic Oscillator Model

DTIC Science & Technology

2017-12-07

quasi -classical scattering theory [3,4] or trajectory [5] calculations, semiclassical, as well as close-coupled [6,7] or full [8] quantum mechanical...the quasi -classical trajectory (QCT) calculations approach for ab initio modeling of collision processes. The DMS method builds on an earlier work...nu ar y 30 , 2 01 8 | h ttp :// ar c. ai aa .o rg | D O I: 1 0. 25 14 /1 .T 52 28 to directly use quasi -classical or quantum mechanic

Enhancing metal-insulator-insulator-metal tunnel diodes via defect enhanced direct tunneling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Alimardani, Nasir; Conley, John F., E-mail: jconley@eecs.oregonstate.edu

Metal-insulator-insulator-metal tunnel diodes with dissimilar work function electrodes and nanolaminate Al{sub 2}O{sub 3}-Ta{sub 2}O{sub 5} bilayer tunnel barriers deposited by atomic layer deposition are investigated. This combination of high and low electron affinity insulators, each with different dominant conduction mechanisms (tunneling and Frenkel-Poole emission), results in improved low voltage asymmetry and non-linearity of current versus voltage behavior. These improvements are due to defect enhanced direct tunneling in which electrons transport across the Ta{sub 2}O{sub 5} via defect based conduction before tunneling directly through the Al{sub 2}O{sub 3}, effectively narrowing the tunnel barrier. Conduction through the device is dominated by tunneling,more » and operation is relatively insensitive to temperature.« less

Non-classical nuclei and growth kinetics of Cr precipitates in FeCr alloys during ageing

DOE Office of Scientific and Technical Information (OSTI.GOV)

Li, Yulan; Hu, Shenyang Y.; Zhang, Lei

2014-01-10

In this manuscript, we quantitatively calculated the thermodynamic properties of critical nuclei of Cr precipitates in FeCr alloys. The concentration profiles of the critical nuclei and nucleation energy barriers were predicted by the constrained shrinking dimer dynamics (CSDD) method. It is found that Cr concentration distribution in the critical nuclei strongly depend on the overall Cr concentration as well as temperature. The critical nuclei are non-classical because the concentration in the nuclei is smaller than the thermodynamic equilibrium value. These results are in agreement with atomic probe observation. The growth kinetics of both classical and non-classical nuclei was investigated bymore » the phase field approach. The simulations of critical nucleus evolution showed a number of interesting phenomena: 1) a critical classical nucleus first shrinks toward its non-classical nucleus and then grows; 2) a non-classical nucleus has much slower growth kinetics at its earlier growth stage compared to the diffusion-controlled growth kinetics. 3) a critical classical nucleus grows faster at the earlier growth stage than the non-classical nucleus. All of these results demonstrate that it is critical to introduce the correct critical nuclei in order to correctly capture the kinetics of precipitation.« less

Classically and quantum stable emergent universe from conservation laws

DOE Office of Scientific and Technical Information (OSTI.GOV)

Campo, Sergio del; Herrera, Ramón; Guendelman, Eduardo I.

It has been recently pointed out by Mithani-Vilenkin [1-4] that certain emergent universe scenarios which are classically stable are nevertheless unstable semiclassically to collapse. Here, we show that there is a class of emergent universes derived from scale invariant two measures theories with spontaneous symmetry breaking (s.s.b) of the scale invariance, which can have both classical stability and do not suffer the instability pointed out by Mithani-Vilenkin towards collapse. We find that this stability is due to the presence of a symmetry in the 'emergent phase', which together with the non linearities of the theory, does not allow that themore » FLRW scale factor to be smaller that a certain minimum value a {sub 0} in a certain protected region.« less

Linear enamel hypoplasia at Xcambó, Yucatán, during the Maya Classic period: An evaluation of coastal marshland impact on ancient human populations.

PubMed

Méndez Collí, C; Sierra Sosa, T N; Tiesler, V; Cucina, A

2009-01-01

Non-specific stress markers such as linear enamel hypoplasia (LEH) have been associated in the literature with a large number of possible conditions disrupting the individual's homeostasis, though metabolic strain originating synergistically by disease and malnutrition has been held to be the main cause behind enamel disruption. The analysis of LEH in the Maya Classic period site of Xcambó, located along the northern coast of the Yucatán peninsula, reveals high exposure to stressful conditions during infancy regardless of age and sex. Yet, the inhabitants of the site were of a medium to high social and economic status, with access to balanced and protein-rich nutritional resources, which should have functioned as a cultural buffer to the impact of stress. In the light of this apparent contradiction, this paper discusses the impact of environmental conditions on the record of metabolic stress. Our conclusions pose a cautionary caveat for inferring nutrition and status in ancient pre-antibiotic populations solely from the occurrence of linear enamel hypoplasia.

Differentiation of the Stereochemistry and Anomeric Configuration for 1-3 Linked Disaccharides Via Tandem Mass Spectrometry and 18O-labeling

NASA Astrophysics Data System (ADS)

Konda, Chiharu; Bendiak, Brad; Xia, Yu

2012-02-01

Collision-induced dissociation (CID) of deprotonated hexose-containing disaccharides ( m/z 341) with 1-2, 1-4, and 1-6 linkages yields product ions at m/z 221, which have been identified as glycosyl-glycolaldehyde anions. From disaccharides with these linkages, CID of m/z 221 ions produces distinct fragmentation patterns that enable the stereochemistries and anomeric configurations of the non-reducing sugar units to be determined. However, only trace quantities of m/z 221 ions can be generated for 1-3 linkages in Paul or linear ion traps, preventing further CID analysis. Here we demonstrate that high intensities of m/z 221 ions can be built up in the linear ion trap (Q3) from beam-type CID of a series of 1-3 linked disaccharides conducted on a triple quadrupole/linear ion trap mass spectrometer. 18O-labeling at the carbonyl position of the reducing sugar allowed mass-discrimination of the "sidedness" of dissociation events to either side of the glycosidic linkage. Under relatively low energy beam-type CID and ion trap CID, an m/z 223 product ion containing 18O predominated. It was a structural isomer that fragmented quite differently than the glycosyl-glycolaldehydes and did not provide structural information about the non-reducing sugar. Under higher collision energy beam-type CID conditions, the formation of m/z 221 ions, which have the glycosyl-glycolaldehyde structures, were favored. Characteristic fragmentation patterns were observed for each m/z 221 ion from higher energy beam-type CID of 1-3 linked disaccharides and the stereochemistry of the non-reducing sugar, together with the anomeric configuration, were successfully identified both with and without 18O-labeling of the reducing sugar carbonyl group.

On the classification of the spectrally stable standing waves of the Hartree problem

NASA Astrophysics Data System (ADS)

Georgiev, Vladimir; Stefanov, Atanas

2018-05-01

We consider the fractional Hartree model, with general power non-linearity and arbitrary spatial dimension. We construct variationally the "normalized" solutions for the corresponding Choquard-Pekar model-in particular a number of key properties, like smoothness and bell-shapedness are established. As a consequence of the construction, we show that these solitons are spectrally stable as solutions to the time-dependent Hartree model. In addition, we analyze the spectral stability of the Moroz-Van Schaftingen solitons of the classical Hartree problem, in any dimensions and power non-linearity. A full classification is obtained, the main conclusion of which is that only and exactly the "normalized" solutions (which exist only in a portion of the range) are spectrally stable.

A magnetic/fluorometric bimodal sensor based on a carbon dots-MnO2 platform for glutathione detection

NASA Astrophysics Data System (ADS)

Xu, Yang; Chen, Xi; Chai, Ran; Xing, Chengfen; Li, Huanrong; Yin, Xue-Bo

2016-07-01

A novel magnetic/fluorometric bimodal sensor was built from carbon dots (CDs) and MnO2. The resulting sensor was sensitive to glutathione (GSH), leading to apparent enhancement of magnetic resonance (MR) and fluorescence signals along with visual changes. The bimodal detection strategy is based on the decomposition of the CDs-MnO2 through a redox reaction between GSH and MnO2. This process causes the transformation from non-MR-active MnO2 to MR-active Mn2+, and is accompanied by fluorescence restoration of CDs. Compared with a range of other CDs, the polyethylenimine (PEI) passivated CDs (denoted as pCDs) were suitable for detection due to their positive surface potential. Cross-validation between MR and fluorescence provided detailed information regarding the MnO2 reduction process, and revealed the three distinct stages of the redox process. Thus, the design of a CD-based sensor for the magnetic/fluorometric bimodal detection of GSH was emphasized for the first time. This platform showed a detection limit of 0.6 μM with a linear range of 1-200 μM in the fluorescence mode, while the MR mode exhibited a linear range of 5-200 μM and a GSH detection limit of 2.8 μM with a visible change being observed rapidly at 1 μM in the MR images. Furthermore, the introduction of the MR mode allowed the biothiols to be easily identified. The integration of CD fluorescence with an MR response was demonstrated to be promising for providing detailed information and discriminating power, and therefore extend the application of CDs in sensing and imaging.A novel magnetic/fluorometric bimodal sensor was built from carbon dots (CDs) and MnO2. The resulting sensor was sensitive to glutathione (GSH), leading to apparent enhancement of magnetic resonance (MR) and fluorescence signals along with visual changes. The bimodal detection strategy is based on the decomposition of the CDs-MnO2 through a redox reaction between GSH and MnO2. This process causes the transformation from non-MR-active MnO2 to MR-active Mn2+, and is accompanied by fluorescence restoration of CDs. Compared with a range of other CDs, the polyethylenimine (PEI) passivated CDs (denoted as pCDs) were suitable for detection due to their positive surface potential. Cross-validation between MR and fluorescence provided detailed information regarding the MnO2 reduction process, and revealed the three distinct stages of the redox process. Thus, the design of a CD-based sensor for the magnetic/fluorometric bimodal detection of GSH was emphasized for the first time. This platform showed a detection limit of 0.6 μM with a linear range of 1-200 μM in the fluorescence mode, while the MR mode exhibited a linear range of 5-200 μM and a GSH detection limit of 2.8 μM with a visible change being observed rapidly at 1 μM in the MR images. Furthermore, the introduction of the MR mode allowed the biothiols to be easily identified. The integration of CD fluorescence with an MR response was demonstrated to be promising for providing detailed information and discriminating power, and therefore extend the application of CDs in sensing and imaging. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr03129c

On gate stack scalability of double-gate negative-capacitance FET with ferroelectric HfO2 for energy efficient sub-0.2 V operation

NASA Astrophysics Data System (ADS)

Jang, Kyungmin; Saraya, Takuya; Kobayashi, Masaharu; Hiramoto, Toshiro

2018-02-01

We have investigated the gate stack scalability and energy efficiency of double-gate negative-capacitance FET (DGNCFET) with a CMOS-compatible ferroelectric HfO2 (FE:HfO2). Analytic model-based simulation is conducted to investigate the impacts of ferroelectric characteristic of FE:HfO2 and gate stack thickness on the I on/I off ratio of DGNCFET. DGNCFET has wider design window for the gate stack where higher I on/I off ratio can be achieved than DG classical MOSFET. Under a process-induced constraint with sub-10 nm gate length (L g), FE:HfO2-based DGNCFET still has a design point for high I on/I off ratio. With an optimized gate stack thickness for sub-10 nm L g, FE:HfO2-based DGNCFET has 2.5× higher energy efficiency than DG classical MOSFET even at ultralow operation voltage of sub-0.2 V.

Linear trichromium complexes with the anion of 2,6-di(phenylimino)piperidine.

PubMed

Clérac, R; Cotton, F A; Daniels, L M; Dunbar, K R; Murillo, C A; Zhou, H C

2000-07-24

The anion of 2,6-di(phenylimino)piperidine (DPhIP) has been found to support linear chains of three metal atoms. Three new compounds, [Cr3(DPhIP)4Cl]Cl.(1).5CH2Cl2.0.5H2O (1.1.5CH2Cl2.0.5H2O), [Cr3(DPhIP)4(CH3CN)]- (PF6)2.H2O.4CH3CN (2.H2O.4CH3CN), and [Cr3(DPhIP)4(F)(CH3CN)](BF4)2.5CH3CN (3.5CH3CN), have been synthesized and characterized by X-ray crystallography. Compound 1 has a linear chain of three chromium atoms arranged in an unsymmetrical fashion, with two of them forming a quadruply bonded unit (Cr-Cr distance 1.932(2) A) and the third being a non-metal-metal-bound 5-coordinate unit (Cr...Cr distance 2.659(2) A). The fifth coordination site is occupied by a chloride ion, and another chloride ion is located in the interstices of the crystal. The trimetal unit in compound 2 is structurally similar to that in compound 1 except that the axial ligand in 2 is a CH3CN molecule. Compound 3 is an oxidation product prepared by reaction of 1 with AgBF4. Here, a square pyramidal CrIII unit, FCrN4, and a Cr-Cr quadruply bonded (Cr-Cr distance 1.968(2) A) unit, with an axially coordinated acetonitrile molecule, form the trichromium chain. The CrIII...CrII separation of 2.594(2) A in 3 is too long to be considered a bonding interaction.

Physical aspects of heat generation/absorption in the second grade fluid flow due to Riga plate: Application of Cattaneo-Christov approach

NASA Astrophysics Data System (ADS)

Anjum, Aisha; Mir, N. A.; Farooq, M.; Javed, M.; Ahmad, S.; Malik, M. Y.; Alshomrani, A. S.

2018-06-01

The present article concentrates on thermal stratification in the flow of second grade fluid past a Riga plate with linear stretching towards a stagnation region. Heat transfer phenomenon is disclosed with heat generation/absorption. Riga plate is known as electromagnetic actuator which comprises of permanent magnets and alternating electrodes placed on a plane surface. Cattaneo-Christov heat flux model is implemented to analyze the features of heat transfer. This new heat flux model is the generalization of classical Fourier's law with the contribution of thermal relaxation time. For the first time heat generation/absorption effect is computed with non-Fourier's law of heat conduction (i.e., Cattaneo-Christov heat flux model). Transformations are used to obtain the governing non-linear ordinary differential equations. Approximate convergent solutions are developed for the non-dimensionalized governing problems. Physical features of velocity and temperature distributions are graphically analyzed corresponding to various parameters in 2D and 3D. It is noted that velocity field enhances with an increment of modified Hartman number while it reduces with increasing variable thickness parameter. Increment in modified heat generation parameter results in reduction of temperature field.

Phylogenetic Diversity of Vibrio cholerae Associated with Endemic Cholera in Mexico from 1991 to 2008

PubMed Central

Choi, Seon Young; Rashed, Shah M.; Hasan, Nur A.; Alam, Munirul; Islam, Tarequl; Sadique, Abdus; Johura, Fatema-Tuz; Eppinger, Mark; Huq, Anwar; Cravioto, Alejandro

2016-01-01

ABSTRACT An outbreak of cholera occurred in 1991 in Mexico, where it had not been reported for more than a century and is now endemic. Vibrio cholerae O1 prototype El Tor and classical strains coexist with altered El Tor strains (1991 to 1997). Nontoxigenic (CTX−) V. cholerae El Tor dominated toxigenic (CTX+) strains (2001 to 2003), but V. cholerae CTX+ variant El Tor was isolated during 2004 to 2008, outcompeting CTX− V. cholerae. Genomes of six Mexican V. cholerae O1 strains isolated during 1991 to 2008 were sequenced and compared with both contemporary and archived strains of V. cholerae. Three were CTX+ El Tor, two were CTX− El Tor, and the remaining strain was a CTX+ classical isolate. Whole-genome sequence analysis showed the six isolates belonged to five distinct phylogenetic clades. One CTX− isolate is ancestral to the 6th and 7th pandemic CTX+ V. cholerae isolates. The other CTX− isolate joined with CTX− non-O1/O139 isolates from Haiti and seroconverted O1 isolates from Brazil and Amazonia. One CTX+ isolate was phylogenetically placed with the sixth pandemic classical clade and the V. cholerae O395 classical reference strain. Two CTX+ El Tor isolates possessing intact Vibrio seventh pandemic island II (VSP-II) are related to hybrid El Tor isolates from Mozambique and Bangladesh. The third CTX+ El Tor isolate contained West African-South American (WASA) recombination in VSP-II and showed relatedness to isolates from Peru and Brazil. Except for one isolate, all Mexican isolates lack SXT/R391 integrative conjugative elements (ICEs) and sensitivity to selected antibiotics, with one isolate resistant to streptomycin. No isolates were related to contemporary isolates from Asia, Africa, or Haiti, indicating phylogenetic diversity. PMID:26980836

Microscopic Optical Characterization of Free Standing III-Nitride Substrates, ZnO Bulk Crystals, and III-V Structures for Non-Linear Optics. Part 2

DTIC Science & Technology

2010-05-18

strong radiation hardness of ZnO. Positron annihilation studies have revealed the presence of Zn vacancies under high energy electron irradiation, as...SUPPLEMENTARY NOTES 14. ABSTRACT CL study of ammonothermal GaN crystals. Preliminary results on ammonothermal AlGaN crystals show a clear...prevalence of deep level luminescence Study of the luminescence spectral characteristics. Optimization of the excitonic emission vs deep level emission

Relationships between tuna catch and variable frequency oceanographic conditions

NASA Astrophysics Data System (ADS)

Ormaza-González, Franklin Isaac; Mora-Cervetto, Alejandra; María Bermúdez-Martínez, Raquel

2016-08-01

Skipjack (Katsuwunus pelamis), yellow fin (Thunnus albacares) and albacore (Thunnus alulunga) tunas landed in the Eastern Pacific Ocean (EPO) countries and Ecuador were correlated to the Indexes Oceanic El Niño (ONI) and Multivariate Enso Index (MEI). The temporal series 1983-2012, and 1977-1999 (warm Pacific Decadal Oscillation, PDO), and 2000-2012 (cold PDO) were analyzed. Linear correlation showed that at least 11 % of the total landings were associated with the MEI, with a slightly negative gradient from cold to warm conditions. When non-linear regression (n = 6), the R2 was higher up to 0.304 (MEI, r = 0.551). The correlation shows high spread from -0.5 to +0.5 for both MEI/ONI; the highest landings occurred at 0.34-0.45; both indexes suggested that at extreme values < -1.0 and > 1.1 total landings tend to decrease. Landings were associated up to 21.9 % (MEI) in 2000-2012, 1983-1999 rendered lower R2 (< 0.09); i.e., during cold PDO periods there was a higher association between landings and oceanographic conditions. For the non-linear regression (n = 6) a R2 of 0.374 (MEI) and 0.408 (ONI) were registered, for the 2000-2012, a higher R2 was observed in 1983-1999, 0.443 and 0.711 for MEI and ONI respectively, suggesting that is better to analyze split series (1983-1999, 2000-2012) than as a whole (1983-2012), due to noise produced by the transition from hot to cold PDOs. The highest landings were in the range -0.2 to 0.5 for MEI/ONI. The linear regression of skipjack landings in Ecuador gave an R2 of 0.140 (MEI) and 0.066 (ONI) and the non-linear were 0.440 and 0.183 respectively. Total landings in the EPO associated to oceanographic events of high and low frequencies could be used somehow as predictors of the high El Niño o La Niña. There is a clear evidence that tuna fish biomass are at higher levels when the PDO is on cold phase (2000-2030) and vice versa on warm phase (1980-1999). The analysis of the skipjack catch per unit effort (CPUE) on floating aggregating devices (FADs) suggests higher CPUE on FADs (around 20 mt set-1) when oceanographic indexes ONI/MEI are below -0.5. Findings of this work suggest that fishing and management of commercial fish must be analyzed under the light of oceanographic conditions.

Ankle brachial index is equally predictive of exercise-induced limb ischemia in diabetic and non-diabetic patients with walking limitation.

PubMed

Henni, Samir; Ammi, Myriam; Gourdier, Anne-Sophie; Besnier, Louis; Signolet, Isabelle; Colas-Ribas, Christophe; Picquet, Jean; Abraham, Pierre

2018-03-29

In diabetic patients, arterial stiffness may impair compressibility of vessels and result in higher ankle to brachial index (ABI) than in non-diabetic subjects. We studied 1972 non-diabetic and 601 diabetic patients, with suspected peripheral artery disease, Exercise transcutaneous oxygen pressure (Ex-tcpO2), expressed in DROP index (limb tcpO2 change minus chest tcpO2 change), is insensitive to arterial stiffness and can estimate exercise-induced regional blood flow impairment (RBFI). A minimal DROP <-15 mm Hg indicates the presence of RBFI (positive test). ABI was simplified to a category variable (ABIc) by rounding ABI to the closest first decimal. In the ABIc range 0.4 to 1.1 linear regression for mean DROP values were: y = 34 x - 53; (R 2  = 0.211) and y = 33 x - 52; (R 2  = 0.186) in diabetic and Non-diabetic patients, respectively. Both Db and non-D patients showed a high proportion of positive Ex-tcpO2 tests for ABIc in the normal range (ABIc: 1.0 and over) from 27.1 to up to 58%. More than half of patients with borderline ABI (ABIc = 0.9) had RBFI during exercise. it was 65.6% in diabetic and 58.5% non-diabetic patients. Resting ABI was not a better predictor of exercise-induced RBFI in non-Db than in Diabetic patients. Our results highlights the interest of still measuring resting-ABI in diabetic patients to argue for the vascular origin of exertional limb pain, but also of performing exercise tests in patients with walking impairment. Copyright © 2018 Elsevier Inc. All rights reserved.

Velopharyngeal port status during classical singing.

PubMed

Tanner, Kristine; Roy, Nelson; Merrill, Ray M; Power, David

2005-12-01

This investigation was undertaken to examine the status of the velopharyngeal (VP) port during classical singing. Using aeromechanical instrumentation, nasal airflow (mL/s), oral pressure (cm H2O), and VP orifice area estimates (cm2) were studied in 10 classically trained sopranos during singing and speaking. Each participant sang and spoke 3 nonsense words-/hampa/, /himpi/, and /humpu/-at 3 loudness levels (loud vs. comfortable vs. soft) and 3 pitches (high vs. comfortable vs. low), using a within-subject experimental design including all possible combinations. In general, nasal airflow, oral pressure, and VP area estimates were significantly greater for singing as compared to speech, and nasal airflow was observed during non-nasal sounds in all participants. Anticipatory nasal airflow was observed in 9 of 10 participants for singing and speaking and was significantly greater during the first vowel in /hampa/ versus /himpi/ and /humpu/. The effect of vowel height on nasal airflow was also significantly influenced by loudness and pitch. The results from this investigation indicate that at least some trained singers experience regular VP opening during classical singing. Vowel height seems to influence this effect. Future research should consider the effects of voice type, gender, experience level, performance ability, and singing style on VP valving in singers.

Antibodies induced by vaccination with purified chick embryo cell culture vaccine (PCECV) cross-neutralize non-classical bat lyssavirus strains.

PubMed

Malerczyk, Claudius; Selhorst, Thomas; Tordo, Noël; Moore, Susan; Müller, Thomas

2009-08-27

Tissue-culture vaccines like purified chick embryo cell vaccine (PCECV) have been shown to provide protection against classical rabies virus (RABV) via pre-exposure or post-exposure prophylaxis. A cross-neutralization study was conducted using a panel of 100 human sera, to determine, to what extent after vaccination with PCECV protection exists against non-classical bat lyssavirus strains like European bat lyssavirus (EBLV) type 1 and 2 and Australian bat lyssavirus (ABLV). Virus neutralizing antibody (VNA) concentrations against the rabies virus variants CVS-11, ABLV, EBLV-1 and EBLV-2 were determined by using a modified rapid fluorescent focus inhibition test. For ABLV and EBLV-2, the comparison to CVS-11 revealed almost identical results (100% adequate VNA concentrations >or=0.5 IU/mL; correlation coefficient r(2)=0.69 and 0.77, respectively), while for EBLV-1 more scattering was observed (97% adequate VNA concentrations; r(2)=0.50). In conclusion, vaccination with PCECV produces adequate VNA concentrations against classical RABV as well as non-classical lyssavirus strains ABLV, EBLV-1, and EBLV-2.

Mercerized mesoporous date pit activated carbon—A novel adsorbent to sequester potentially toxic divalent heavy metals from water

PubMed Central

Aldawsari, Abdullah; Hameed, B. H.; Alqadami, Ayoub Abdullah; Siddiqui, Masoom Raza; Alothman, Zeid Abdullah; Ahmed, A. Yacine Badjah Hadj

2017-01-01

A substantive approach converting waste date pits to mercerized mesoporous date pit activated carbon (DPAC) and utilizing it in the removal of Cd(II), Cu(II), Pb(II), and Zn(II) was reported. In general, rapid heavy metals adsorption kinetics for Co range: 25–100 mg/L was observed, accomplishing 77–97% adsorption within 15 min, finally, attaining equilibrium in 360 min. Linear and non-linear isotherm studies revealed Langmuir model applicability for Cd(II) and Pb(II) adsorption, while Freundlich model was fitted to Zn(II) and Cu(II) adsorption. Maximum monolayer adsorption capacities (qm) for Cd(II), Pb(II), Cu(II), and Zn(II) obtained by non-linear isotherm model at 298 K were 212.1, 133.5, 194.4, and 111 mg/g, respectively. Kinetics modeling parameters showed the applicability of pseudo-second-order model. The activation energy (Ea) magnitude revealed physical nature of adsorption. Maximum elution of Cu(II) (81.6%), Zn(II) (70.1%), Pb(II) (96%), and Cd(II) (78.2%) were observed with 0.1 M HCl. Thermogravimetric analysis of DPAC showed a total weight loss (in two-stages) of 28.3%. Infra-red spectral analysis showed the presence of carboxyl and hydroxyl groups over DPAC surface. The peaks at 820, 825, 845 and 885 cm-1 attributed to Zn–O, Pb–O, Cd–O, and Cu–O appeared on heavy metals saturated DPAC, confirmed their binding on DPAC during the adsorption. PMID:28910368

Mercerized mesoporous date pit activated carbon-A novel adsorbent to sequester potentially toxic divalent heavy metals from water.

PubMed

Aldawsari, Abdullah; Khan, Moonis Ali; Hameed, B H; Alqadami, Ayoub Abdullah; Siddiqui, Masoom Raza; Alothman, Zeid Abdullah; Ahmed, A Yacine Badjah Hadj

2017-01-01

A substantive approach converting waste date pits to mercerized mesoporous date pit activated carbon (DPAC) and utilizing it in the removal of Cd(II), Cu(II), Pb(II), and Zn(II) was reported. In general, rapid heavy metals adsorption kinetics for Co range: 25-100 mg/L was observed, accomplishing 77-97% adsorption within 15 min, finally, attaining equilibrium in 360 min. Linear and non-linear isotherm studies revealed Langmuir model applicability for Cd(II) and Pb(II) adsorption, while Freundlich model was fitted to Zn(II) and Cu(II) adsorption. Maximum monolayer adsorption capacities (qm) for Cd(II), Pb(II), Cu(II), and Zn(II) obtained by non-linear isotherm model at 298 K were 212.1, 133.5, 194.4, and 111 mg/g, respectively. Kinetics modeling parameters showed the applicability of pseudo-second-order model. The activation energy (Ea) magnitude revealed physical nature of adsorption. Maximum elution of Cu(II) (81.6%), Zn(II) (70.1%), Pb(II) (96%), and Cd(II) (78.2%) were observed with 0.1 M HCl. Thermogravimetric analysis of DPAC showed a total weight loss (in two-stages) of 28.3%. Infra-red spectral analysis showed the presence of carboxyl and hydroxyl groups over DPAC surface. The peaks at 820, 825, 845 and 885 cm-1 attributed to Zn-O, Pb-O, Cd-O, and Cu-O appeared on heavy metals saturated DPAC, confirmed their binding on DPAC during the adsorption.

Electrodeposition of flower-like platinum on electrophoretically grown nitrogen-doped graphene as a highly sensitive electrochemical non-enzymatic biosensor for hydrogen peroxide detection

NASA Astrophysics Data System (ADS)

Tajabadi, M. T.; Sookhakian, M.; Zalnezhad, E.; Yoon, G. H.; Hamouda, A. M. S.; Azarang, Majid; Basirun, W. J.; Alias, Y.

2016-11-01

An efficient non-enzymatic biosensor electrode consisting of nitrogen-doped graphene (N-graphene) and platinum nanoflower (Pt NF) with different N-graphene loadings were fabricated on indium tin oxide (ITO) glass using a simple layer-by-layer electrophoretic and electrochemical sequential deposition approach. N-graphene was synthesized by annealing graphene oxide with urea at 900 °C. The structure and morphology of the as-fabricated non-enzymatic biosensor electrodes were determined using X-ray diffraction, field emission electron microscopy, transmission electron microscopy, Raman and X-ray photoelectron spectra. The as-fabricated Pt NF-N-graphene-modified ITO electrodes with different N-graphene loadings were utilized as a non-enzymatic biosensor electrode for the detection of hydrogen peroxide (H2O2). The behaviors of the hybrid electrodes towards H2O2 reduction were assessed using chronoamperometry, cyclic voltammetry and electrochemical impedance spectroscopy analysis. The Pt NF-N-graphene-modified ITO electrode with a 0.05 mg ml-1 N-graphene loading exhibited the lowest detection limit, fastest amperometric sensing, a wide linear response range, excellent stability and reproducibility for the non-enzymatic H2O2 detection, due to the synergistic effect between the electrocatalytic activity of the Pt NF and the high conductivity and large surface area of N-graphene.

The fluxes of H2O2 and O2 can be used to evaluate seed germination and vigor of Caragana korshinskii.

PubMed

Li, Jiaguo; Wang, Yu; Pritchard, Hugh W; Wang, Xiaofeng

2014-06-01

Seed deterioration is detrimental to plant germplasm conservation, and predicting seed germination and vigor with reliability and sensitivity means is urgently needed for practical problems. We investigated the link between hydrogen peroxide (H2O2) flux, oxygen influx and seed vigor of Caragana korshinskii by the non-invasive micro-test technique (NMT). Some related physiological and biochemical changes in seeds were also determined to further explain the changes in the molecular fluxes. The results showed that there was a good linear relationship between germination and H2O2 flux, and that O2 influx was more suitable for assessing seed vigor. H2O2 flux changed relatively little initially, mainly affected by antioxidants (APX, CAT and GSH) and H2O2 content; afterward, the efflux increased more and more rapidly due to high membrane permeability. With the damage of mitochondrial respiration and membrane integrity, O2 influx was gradually reduced. We propose that monitoring H2O2 and O2 fluxes by NMT may be a reliable and sensitive method to evaluate seed germination and vigor.

Effects of reactant rotational excitation on H + O2--> OH + O reaction rate constant: quantum wave packet, quasi-classical trajectory and phase space theory calculations.

PubMed

Lin, Shi Ying; Guo, Hua; Lendvay, György; Xie, Daiqian

2009-06-21

We examine the impact of initial rotational excitation on the reactivity of the H + O(2)--> OH + O reaction. Accurate Chebyshev wave packet calculations have been carried out for the upsilon(i) = 0, j(i) = 9 initial state of O(2) and the J = 50 partial wave. In addition, we present Gaussian-weighted quasi-classical trajectory and phase space theory calculations of the integral cross section and thermal rate constant for the title reaction. These theoretical results suggest that the initial rotational excitation significantly enhances reactivity with an amount comparable to the effect of initial vibrational state excitation. The inclusion of internally excited reactants is shown to improve the agreement with experimental rate constant.

Alignment of large image series using cubic B-splines tessellation: application to transmission electron microscopy data.

PubMed

Dauguet, Julien; Bock, Davi; Reid, R Clay; Warfield, Simon K

2007-01-01

3D reconstruction from serial 2D microscopy images depends on non-linear alignment of serial sections. For some structures, such as the neuronal circuitry of the brain, very large images at very high resolution are necessary to permit reconstruction. These very large images prevent the direct use of classical registration methods. We propose in this work a method to deal with the non-linear alignment of arbitrarily large 2D images using the finite support properties of cubic B-splines. After initial affine alignment, each large image is split into a grid of smaller overlapping sub-images, which are individually registered using cubic B-splines transformations. Inside the overlapping regions between neighboring sub-images, the coefficients of the knots controlling the B-splines deformations are blended, to create a virtual large grid of knots for the whole image. The sub-images are resampled individually, using the new coefficients, and assembled together into a final large aligned image. We evaluated the method on a series of large transmission electron microscopy images and our results indicate significant improvements compared to both manual and affine alignment.

String theory origin of constrained multiplets

NASA Astrophysics Data System (ADS)

Kallosh, Renata; Vercnocke, Bert; Wrase, Timm

2016-09-01

We study the non-linearly realized spontaneously broken supersymmetry of the (anti-)D3-brane action in type IIB string theory. The worldvolume fields are one vector A μ , three complex scalars ϕ i and four 4d fermions λ 0, λ i. These transform, in addition to the more familiar {N}=4 linear supersymmetry, also under 16 spontaneously broken, non-linearly realized supersymmetries. We argue that the worldvolume fields can be packaged into the following constrained 4d non-linear {N}=1 multiplets: four chiral multiplets S, Y i that satisfy S 2 = SY i =0 and contain the worldvolume fermions λ 0 and λ i ; and four chiral multiplets W α , H i that satisfy S{W}_{α }=S{overline{D}}_{overset{\\cdotp }{α }}{overline{H}}^{overline{imath}}=0 and contain the vector A μ and the scalars ϕ i . We also discuss how placing an anti-D3-brane on top of intersecting O7-planes can lead to an orthogonal multiplet Φ that satisfies S(Φ -overline{Φ})=0 , which is particularly interesting for inflationary cosmology.

MWCNT-ruthenium oxide composite paste electrode as non-enzymatic glucose sensor.

PubMed

Tehrani, Ramin M A; Ab Ghani, Sulaiman

2012-01-01

A non-enzymatic glucose sensor of multi-walled carbon nanotube-ruthenium oxide/composite paste electrode (MWCNT-RuO(2)/CPE) was developed. The electrode was characterized by using XRD, SEM, TEM and EIS. Meanwhile, cyclic voltammetry and amperometry were used to check on the performances of the MWCNT-RuO(2)/CPE towards glucose. The proposed electrode has displayed a synergistic effect of RuO(2) and MWCNT on the electrocatalytic oxidation of glucose in 3M NaOH. This was possible via the formation of transitions of two redox pairs, viz. Ru(VI)/Ru(IV) and Ru(VII)/Ru(VI). A linear range of 0.5-50mM glucose and a limit of detection of 33 μM glucose (S/N=3) were observed. There was no significant interference observable from the traditional interferences, viz. ascorbic acid and uric acid. Indeed, results so obtained have indicated that the developed MWCNT-RuO(2)/CPE would pave the way for a better future to glucose sensor development as its fabrication was without the use of any enzyme. Copyright © 2012 Elsevier B.V. All rights reserved.

Optical and spectroscopic investigation on Calcium Borotellurite glass system

NASA Astrophysics Data System (ADS)

Paz, E. C.; Lodi, T. A.; Gomes, B. R. A.; Melo, G. H. A.; Pedrochi, F.; Steimacher, A.

2016-05-01

In this work, the glass formation in Calcium Borotellurite (CBTx) system and their optical properties were studied. Six glass samples were prepared by melt-quenching technique and the samples obtained are transparent, lightly yellowish, without any visible crystallites. The results showed that TeO2 addition increases the density, the electronic polarizability and, consequently, the refractive index. The increase of electronic polarizability and optical basicity suggest that TeO2 addition increases the non-bridging oxygen (NBO) concentration. The increase of TeO2 shifts the band edge to longer wavelength owing to increase in non-bridging oxygen ions, resulting in a linear decrease of optical energy gap. The addition of TeO2 increases the temperature coefficient of the optical path length (dS/dT) in room temperature, which are comparable to phosphate and lower than Low Silica Calcium Alumino Silicate (LSCAS) glasses. The values of dS/dT present an increase as a function of temperature for all the samples measured. The results suggest that CBTx is a good candidate for rare-earth doping and several optical applications.

Propagation of arbitrary initial wave packets in a quantum parametric oscillator: Instability zones for higher order moments

NASA Astrophysics Data System (ADS)

Biswas, Subhadip; Chattopadhyay, Rohitashwa; Bhattacharjee, Jayanta K.

2018-05-01

We consider the dynamics of a particle in a parametric oscillator with a view to exploring any quantum feature of the initial wave packet that shows divergent (in time) behaviour for parameter values where the classical motion dynamics of the mean position is bounded. We use Ehrenfest's theorem to explore the dynamics of nth order moment which reduces exactly to a linear non autonomous differential equation of order n + 1. It is found that while the width and skewness of the packet is unbounded exactly in the zones where the classical motion is unbounded, the kurtosis of an initially non-gaussian wave packet can become infinitely large in certain additional zones. This implies that the shape of the wave packet can change drastically with time in these zones.

A laser based frequency modulated NL-OSL phenomenon

NASA Astrophysics Data System (ADS)

Mishra, D. R.; Bishnoi, A. S.; Soni, Anuj; Rawat, N. S.; Bhatt, B. C.; Kulkarni, M. S.; Babu, D. A. R.

2015-01-01

The detailed theoretical and experimental approach to novel technique of pulse frequency modulated stimulation (PFMS) method has been described for NL-OSL phenomenon. This method involved pulsed frequency modulation with respect to time for fixed pulse width of 532 nm continuous wave (CW)-laser light. The linearly modulated (LM)-, non-linearly (NL)-stimulation profiles have been generated using fast electromagnetic optical shutter. The PFMS parameters have been determined for present experimental setup. The PFMS based LM-, NL-OSL studies have been carried out on dosimetry grade single crystal α-Al2O3:C. The photo ionization cross section of α-Al2O3:C has been found to be ∼9.97 × 10-19 cm2 for 532 nm laser light using PFMS LM-OSL studies under assumption of first order of kinetic. This method of PFMS is found to be a potential alternative to generate different stimulation profiles using CW-light sources.

Linear viscoelasticity and thermorheological simplicity of n-hexadecane fluids under oscillatory shear via non-equilibrium molecular dynamics simulations.

PubMed

Tseng, Huan-Chang; Wu, Jiann-Shing; Chang, Rong-Yeu

2010-04-28

A small amplitude oscillatory shear flows with the classic characteristic of a phase shift when using non-equilibrium molecular dynamics simulations for n-hexadecane fluids. In a suitable range of strain amplitude, the fluid possesses significant linear viscoelastic behavior. Non-linear viscoelastic behavior of strain thinning, which means the dynamic modulus monotonously decreased with increasing strain amplitudes, was found at extreme strain amplitudes. Under isobaric conditions, different temperatures strongly affected the range of linear viscoelasticity and the slope of strain thinning. The fluid's phase states, containing solid-, liquid-, and gel-like states, can be distinguished through a criterion of the viscoelastic spectrum. As a result, a particular condition for the viscoelastic behavior of n-hexadecane molecules approaching that of the Rouse chain was obtained. Besides, more importantly, evidence of thermorheologically simple materials was presented in which the relaxation modulus obeys the time-temperature superposition principle. Therefore, using shift factors from the time-temperature superposition principle, the estimated Arrhenius flow activation energy was in good agreement with related experimental values. Furthermore, one relaxation modulus master curve well exhibited both transition and terminal zones. Especially regarding non-equilibrium thermodynamic states, variations in the density, with respect to frequencies, were revealed.

Phosphate base laser glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Izumitani, T.; Tsuru, M.

1980-12-16

A phosphate base laser glass comprising 55-70% P2O5, 1-15% Al2O3, 0-25% Li2O, 0-25% Na2O, 0-8% K2O, the total proportion of Li2O, Na2O, and K2O being 10-25%, 0-15% BaO, 0-15% ZnO, 0-15% CaO , 0-15%, sro, 0-15% MgO, the total proportion of BaO, ZnO, CaO, SrO, and MgO being 5-15%, 0-5% Y2O3, 0-5% La2O3, 0-5% GeO2, 0-5% CeO2, 0-3% Nb2O5, 0-3% MnO2, 0-2% Ta2O5, 0-1% Sb2O3, and 0.01-5% Nd2O3, all % being mole %. The phosphate base laser glass of this invention has a high induced emission cross section, a low non-linear refractive index coefficient, and excellent acid resistance and divitrificationmore » resistance. By replacing partially or wholely one or more of LiO2, Na2O, K2O, BaO, ZnO, CaO, SrO, MgO or Al2O3 by LiF, NaF, KF , BaF2ZnF2, CaF2, SrF2, MgF2 or AlF3, respectively, the above properties of the laser glass are further improved.« less

Structural, spectral, NLO and MEP analysis of the [MgO2Ti2(OPri)6], [MgO2Ti2(OPri)2(acac)4] and [MgO2Ti2(OPri)2(bzac)4] by DFT method

NASA Astrophysics Data System (ADS)

Sayin, Koray; Karakaş, Duran

2015-06-01

Quantum chemical calculations are performed on [MgO2Ti2(OPri)6] and [MgO2Ti2(OPri)2(L)4] complexes. L is acetylacetonate (acac) and benzoylacetonate (bzac) anion. The crystal structures of these complexes have not been obtained as experimentally but optimized structures of these complexes are obtained as theoretically in this study. Universal force field (UFF) and DFT/B3LYP method are used to obtain optimized structures. Theoretical spectral analysis (IR, 1H and 13C NMR) is compared with their experimental values. A good agreement is found between experimental and theoretical spectral analysis. These results mean that the optimized structures of mentioned complexes are appropriate. Additionally, the active sites of mentioned complexes are determined by molecular electrostatic potential (MEP) diagrams and non-linear optical (NLO) properties are investigated.

Time Hierarchies and Model Reduction in Canonical Non-linear Models

PubMed Central

Löwe, Hannes; Kremling, Andreas; Marin-Sanguino, Alberto

2016-01-01

The time-scale hierarchies of a very general class of models in differential equations is analyzed. Classical methods for model reduction and time-scale analysis have been adapted to this formalism and a complementary method is proposed. A unified theoretical treatment shows how the structure of the system can be much better understood by inspection of two sets of singular values: one related to the stoichiometric structure of the system and another to its kinetics. The methods are exemplified first through a toy model, then a large synthetic network and finally with numeric simulations of three classical benchmark models of real biological systems. PMID:27708665

Computational approach to Thornley's problem by bivariate operational calculus

NASA Astrophysics Data System (ADS)

Bazhlekova, E.; Dimovski, I.

2012-10-01

Thornley's problem is an initial-boundary value problem with a nonlocal boundary condition for linear onedimensional reaction-diffusion equation, used as a mathematical model of spiral phyllotaxis in botany. Applying a bivariate operational calculus we find explicit representation of the solution, containing two convolution products of special solutions and the arbitrary initial and boundary functions. We use a non-classical convolution with respect to the space variable, extending in this way the classical Duhamel principle. The special solutions involved are represented in the form of fast convergent series. Numerical examples are considered to show the application of the present technique and to analyze the character of the solution.

SYMTRAN - A Time-dependent Symmetric Tandem Mirror Transport Code

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hua, D; Fowler, T

2004-06-15

A time-dependent version of the steady-state radial transport model in symmetric tandem mirrors in Ref. [1] has been coded up and first tests performed. Our code, named SYMTRAN, is an adaptation of the earlier SPHERE code for spheromaks, now modified for tandem mirror physics. Motivated by Post's new concept of kinetic stabilization of symmetric mirrors, it is an extension of the earlier TAMRAC rate-equation code omitting radial transport [2], which successfully accounted for experimental results in TMX. The SYMTRAN code differs from the earlier tandem mirror radial transport code TMT in that our code is focused on axisymmetric tandem mirrorsmore » and classical diffusion, whereas TMT emphasized non-ambipolar transport in TMX and MFTF-B due to yin-yang plugs and non-symmetric transitions between the plugs and axisymmetric center cell. Both codes exhibit interesting but different non-linear behavior.« less

Predicting musically induced emotions from physiological inputs: linear and neural network models.

PubMed

Russo, Frank A; Vempala, Naresh N; Sandstrom, Gillian M

2013-01-01

Listening to music often leads to physiological responses. Do these physiological responses contain sufficient information to infer emotion induced in the listener? The current study explores this question by attempting to predict judgments of "felt" emotion from physiological responses alone using linear and neural network models. We measured five channels of peripheral physiology from 20 participants-heart rate (HR), respiration, galvanic skin response, and activity in corrugator supercilii and zygomaticus major facial muscles. Using valence and arousal (VA) dimensions, participants rated their felt emotion after listening to each of 12 classical music excerpts. After extracting features from the five channels, we examined their correlation with VA ratings, and then performed multiple linear regression to see if a linear relationship between the physiological responses could account for the ratings. Although linear models predicted a significant amount of variance in arousal ratings, they were unable to do so with valence ratings. We then used a neural network to provide a non-linear account of the ratings. The network was trained on the mean ratings of eight of the 12 excerpts and tested on the remainder. Performance of the neural network confirms that physiological responses alone can be used to predict musically induced emotion. The non-linear model derived from the neural network was more accurate than linear models derived from multiple linear regression, particularly along the valence dimension. A secondary analysis allowed us to quantify the relative contributions of inputs to the non-linear model. The study represents a novel approach to understanding the complex relationship between physiological responses and musically induced emotion.

Attractors of three-dimensional fast-rotating Navier-Stokes equations

NASA Astrophysics Data System (ADS)

Trahe, Markus

The three-dimensional (3-D) rotating Navier-Stokes equations describe the dynamics of rotating, incompressible, viscous fluids. In this work, they are considered with smooth, time-independent forces and the original statements implied by the classical "Taylor-Proudman Theorem" of geophysics are rigorously proved. It is shown that fully developed turbulence of 3-D fast-rotating fluids is essentially characterized by turbulence of two-dimensional (2-D) fluids in terms of numbers of degrees of freedom. In this context, the 3-D nonlinear "resonant limit equations", which arise in a non-linear averaging process as the rotation frequency O → infinity, are studied and optimal (2-D-type) upper bounds for fractal box and Hausdorff dimensions of the global attractor as well as upper bounds for box dimensions of exponential attractors are determined. Then, the convergence of exponential attractors for the full 3-D rotating Navier-Stokes equations to exponential attractors for the resonant limit equations as O → infinity in the sense of full Hausdorff-metric distances is established. This provides upper and lower semi-continuity of exponential attractors with respect to the rotation frequency and implies that the number of degrees of freedom (attractor dimension) of 3-D fast-rotating fluids is close to that of 2-D fluids. Finally, the algebraic-geometric structure of the Poincare curves, which control the resonances and small divisor estimates for partial differential equations, is further investigated; the 3-D nonlinear limit resonant operators are characterized by three-wave interactions governed by these curves. A new canonical transformation between those curves is constructed; with far-reaching consequences on the density of the latter.

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO(2) nanoparticles.

PubMed

Toropova, Alla P; Toropov, Andrey A

2013-11-01

The increasing use of nanomaterials incorporated into consumer products leads to the need for developing approaches to establish "quantitative structure-activity relationships" (QSARs) for various nanomaterials. However, the molecular structure as rule is not available for nanomaterials at least in its classic meaning. An possible alternative of classic QSAR (based on the molecular structure) is the using of data on physicochemical features of TiO(2) nanoparticles. The damage to cellular membranes (units L(-1)) by means of various TiO(2) nanoparticles is examined as the endpoint. Copyright © 2013 Elsevier Ltd. All rights reserved.

Signal and noise extraction from analog memory elements for neuromorphic computing.

PubMed

Gong, N; Idé, T; Kim, S; Boybat, I; Sebastian, A; Narayanan, V; Ando, T

2018-05-29

Dense crossbar arrays of non-volatile memory (NVM) can potentially enable massively parallel and highly energy-efficient neuromorphic computing systems. The key requirements for the NVM elements are continuous (analog-like) conductance tuning capability and switching symmetry with acceptable noise levels. However, most NVM devices show non-linear and asymmetric switching behaviors. Such non-linear behaviors render separation of signal and noise extremely difficult with conventional characterization techniques. In this study, we establish a practical methodology based on Gaussian process regression to address this issue. The methodology is agnostic to switching mechanisms and applicable to various NVM devices. We show tradeoff between switching symmetry and signal-to-noise ratio for HfO 2 -based resistive random access memory. Then, we characterize 1000 phase-change memory devices based on Ge 2 Sb 2 Te 5 and separate total variability into device-to-device variability and inherent randomness from individual devices. These results highlight the usefulness of our methodology to realize ideal NVM devices for neuromorphic computing.

Velopharyngeal Port Status during Classical Singing

ERIC Educational Resources Information Center

Tanner, Kristine; Roy, Nelson; Merrill, Ray M.; Power, David

2005-01-01

Purpose: This investigation was undertaken to examine the status of the velopharyngeal (VP) port during classical singing. Method: Using aeromechanical instrumentation, nasal airflow (mL/s), oral pressure (cm H[subscript 2]O), and VP orifice area estimates (cm[squared]) were studied in 10 classically trained sopranos during singing and speaking.…

Mg1-xZnxFe2O4 nanoparticles: Interplay between cation distribution and magnetic properties

NASA Astrophysics Data System (ADS)

Raghuvanshi, S.; Mazaleyrat, F.; Kane, S. N.

2018-04-01

Correlation between cationic distribution, magnetic properties of Mg1-xZnxFe2O4 (0.0 ≤ x ≤ 1.0) ferrite is demonstrated, hardly shown in literature. X-ray diffraction (XRD) confirms the formation of cubic spinel nano ferrites with grain diameter between 40.8 to 55.4 nm. Energy dispersive spectroscopy (EDS) confirms close agreement of Mg/Fe, Zn/Fe molar ratio, presence of all elements (Mg, Zn, Fe, O), formation of estimated ferrite composition. Zn addition (for Mg) shows: i) linear increase of lattice parameter aexp, accounted for replacement of an ion with higher ionic radius (Zn > Mg); ii) presence of higher population of Fe3+ ions on B site, and unusual occurrence of Zn, Mg on A and B site leads to non-equilibrium cation distribution where we observe inverse to mixed structure, and is in contrast to reported literature where inverse to normal transition is reported; iii) effect on A-A, A-B, B-B exchange interactions, affecting coercivity Hc, Ms. A new empirical relation is also obtained showing linear relation between saturation magnetization Ms - inversion parameter δ, oxygen parameter u4 ¯ 3 m. Non-zero Y-K angle (αYK) values implies Y-K type magnetic ordering in the studied samples.

(CaO)nIrO2 (n = 1, 2, 4) family: Chemical scissors effects of CaO on structural characteristics correlated to physical properties. Ab initio study

NASA Astrophysics Data System (ADS)

Matar, Samir F.; Etourneau, Jean

2017-11-01

Based on crystal chemistry analysis within Ca-Ir-O ternary, the generic (CaO)nIrO2 formula leading to CaIrO3 for n = 1, Ca2IrO4 for n = 2 and Ca4IrO6 for n = 4 actual chemical compounds show significant structural changes regarding the spatial arrangement of IrO6 octahedra whereby increasing amounts of CaO act as 'chemical scissor' decreasing the dimensionality of stacking octahedra from 3D (IrO2) to 0D (Ca4IrO6). This is accompanied by changes in the electronic structure investigated within density functional theory. Such changes are particularly exhibited by linear increase of Ir density of states at the Fermi level revealing increasing localization of d states with crystal field effects. Eventually only for Ca4IrO6 a magnetic instability occurs in non magnetic configuration. Spin polarized calculations lead to development of small magnitude but finite magnetization on Ir with M 0.50 μB totally polarized along minority spin channel ↓.

Large linear magnetoresistance in topological crystalline insulator Pb{sub 0.6}Sn{sub 0.4}Te

DOE Office of Scientific and Technical Information (OSTI.GOV)

Roychowdhury, Subhajit; Ghara, Somnath; Guin, Satya N.

2016-01-15

Classical magnetoresistance generally follows the quadratic dependence of the magnetic field at lower field and finally saturates when field is larger. Here, we report the large positive non-saturating linear magnetoresistance in topological crystalline insulator, Pb{sub 0.6}Sn{sub 0.4}Te, at different temperatures between 3 K and 300 K in magnetic field up to 9 T. Magnetoresistance value as high as ∼200% was achieved at 3 K at magnetic field of 9 T. Linear magnetoresistance observed in Pb{sub 0.6}Sn{sub 0.4}Te is mainly governed by the spatial fluctuation carrier mobility due to distortions in the current paths in inhomogeneous conductor. - Graphical abstract: Largemore » non-saturating linear magnetoresistance has been evidenced in topological crystalline insulator, Pb{sub 0.6}Sn{sub 0.4}Te, at different temperatures between 3 K and 300 K in magnetic field up to 9 T. - Highlights: • Large non-saturating linear magnetoresistance was achieved in the topological crystalline insulator, Pb{sub 0.6}Sn{sub 0.4}Te. • Highest magnetoresistance value as high as ~200% was achieved at 3 K at magnetic field of 9 T. • Linear magnetoresistance in Pb{sub 0.6}Sn{sub 0.4}Te is mainly governed by the spatial fluctuation of the carrier mobility.« less

Crystal structure of 5''-(4-chloro-benzyl-idene)-4'-(4-chloro-phen-yl)-1'-methyltri-spiro[acenapthylene-1,2'-pyrrolidine-3',1''-cyclo-hexane-3'',2'''-[1,3]dioxane]-2(1H),6''-dione.

PubMed

Chandralekha, Kuppan; Gavaskar, Deivasigamani; Sureshbabu, Adukamparai Rajukrishnan; Lakshmi, Srinivasakannan

2015-11-01

In the title compound, C36H29Cl2NO4, two spiro links connect the methyl-substituted pyrrolidine ring to the ace-naphthyl-ene and cyclo-hexa-none rings. The cyclo-hexa-none ring is further connected to the dioxalane ring by a third spiro junction. The five-membered ring of the ace-naphthylen-1-one ring system adopts a flattened envelope conformation, with the ketonic C atom as the flap, whereas the dioxalane and pyrrolidine rings each have a twist conformation. The cyclo-hexenone ring assumes a boat conformation. An intra-molecular C-H⋯O hydrogen-bond inter-action is present. In the crystal, mol-ecules are linked by non-classical C-H⋯O hydrogen bonds, forming chains extending parallel to the a axis.

A New Metrics for Countries' Fitness and Products' Complexity

NASA Astrophysics Data System (ADS)

Tacchella, Andrea; Cristelli, Matthieu; Caldarelli, Guido; Gabrielli, Andrea; Pietronero, Luciano

2012-10-01

Classical economic theories prescribe specialization of countries industrial production. Inspection of the country databases of exported products shows that this is not the case: successful countries are extremely diversified, in analogy with biosystems evolving in a competitive dynamical environment. The challenge is assessing quantitatively the non-monetary competitive advantage of diversification which represents the hidden potential for development and growth. Here we develop a new statistical approach based on coupled non-linear maps, whose fixed point defines a new metrics for the country Fitness and product Complexity. We show that a non-linear iteration is necessary to bound the complexity of products by the fitness of the less competitive countries exporting them. We show that, given the paradigm of economic complexity, the correct and simplest approach to measure the competitiveness of countries is the one presented in this work. Furthermore our metrics appears to be economically well-grounded.

Accurate frequency domain measurement of the best linear time-invariant approximation of linear time-periodic systems including the quantification of the time-periodic distortions

NASA Astrophysics Data System (ADS)

Louarroudi, E.; Pintelon, R.; Lataire, J.

2014-10-01

Time-periodic (TP) phenomena occurring, for instance, in wind turbines, helicopters, anisotropic shaft-bearing systems, and cardiovascular/respiratory systems, are often not addressed when classical frequency response function (FRF) measurements are performed. As the traditional FRF concept is based on the linear time-invariant (LTI) system theory, it is only approximately valid for systems with varying dynamics. Accordingly, the quantification of any deviation from this ideal LTI framework is more than welcome. The “measure of deviation” allows us to define the notion of the best LTI (BLTI) approximation, which yields the best - in mean square sense - LTI description of a linear time-periodic LTP system. By taking into consideration the TP effects, it is shown in this paper that the variability of the BLTI measurement can be reduced significantly compared with that of classical FRF estimators. From a single experiment, the proposed identification methods can handle (non-)linear time-periodic [(N)LTP] systems in open-loop with a quantification of (i) the noise and/or the NL distortions, (ii) the TP distortions and (iii) the transient (leakage) errors. Besides, a geometrical interpretation of the BLTI approximation is provided, leading to a framework called vector FRF analysis. The theory presented is supported by numerical simulations as well as real measurements mimicking the well-known mechanical Mathieu oscillator.

Au nanoparticles-ZnO composite nanotubes using natural silk fibroin fiber as template for electrochemical non-enzymatic sensing of hydrogen peroxide.

PubMed

Chen, Liangliang; Xu, Xiaolong; Cui, Feng; Qiu, Qianying; Chen, Xiaojun; Xu, Jinzhong

2018-05-23

A novel electrochemical sensor based on the composite of gold nanoparticles/zinc oxide nanotube (AuNPs/ZnO-NTs) was constructed and its application as hydrogen peroxide (H 2 O 2 ) non-enzymatic sensor was investigated. ZnO-NTs were prepared by a biomineralization strategy in which silk fibroin fiber (SFF) was used as template, and thus the ZnO-NTs inherited the advantages of SFF such as mechanical stability, flexible biomimetic morphology and biocompatibility. The AuNPs/ZnO-NTs was further prepared by the electrostatic absorption of AuNPs onto the surface of ZnO-NTs, and found to be capable to catalyze the reduction of H 2 O 2 . The working potential was 0.05 V, which was far higher than those in literatures, indicating the strong anti-interference ability in the real application. The catalytic current was linearly proportional in the concentration range of 1 μM-3.0 mM with a sensitivity of 1336.7 μA mM -1  cm -2 . The detection limit was estimated to be 0.1 μM (S/N = 3). Such a high sensitivity was attributed to the electrocatalytic property of ZnO and high electron transfer ability of AuNPs/ZnO-NTs structure. Moreover, the final detection results of H 2 O 2 in real samples showed the acceptable accuracy compared with the traditional potassium permanganate titration, exhibiting the prospect to be used as an applicable sensor in actual detections. Copyright © 2018 Elsevier Inc. All rights reserved.

Linear-to-λ-Shape P-O-P Bond Transmutation in Polyphosphates with Infinite (PO3)∞ Chain.

PubMed

Wang, Ying; Li, Lin; Han, Shujuan; Lei, Bing-Hua; Abudoureheman, Maierhaba; Yang, Zhihua; Pan, Shilie

2017-09-05

A new metal polyphosphate, α-CsBa 2 (PO 3 ) 5 , exhibiting the first example of a linear P-O-P bond angle in a one-dimensional (PO 3 ) ∞ chain has been reported. Interestingly, α → β phase transition occurs in CsBa 2 (PO 3 ) 5 along with the P-O-P bonds varying from linear to λ-shape, suggesting that α-CsBa 2 (PO 3 ) 5 with unfavorable linear P-O-P bonds is more stable at ambient temperature.

Non-Enzymatic Glucose Sensor Composed of Carbon-Coated Nano-Zinc Oxide

PubMed Central

Chung, Ren-Jei; Wang, An-Ni; Liao, Qing-Liang; Chuang, Kai-Yu

2017-01-01

Nowadays glucose detection is of great importance in the fields of biological, environmental, and clinical analyzes. In this research, we report a zinc oxide (ZnO) nanorod powder surface-coated with carbon material for non-enzymatic glucose sensor applications through a hydrothermal process and chemical vapor deposition method. A series of tests, including crystallinity analysis, microstructure observation, and electrochemical property investigations were carried out. For the cyclic voltammetric (CV) glucose detection, the low detection limit of 1 mM with a linear range from 0.1 mM to 10 mM was attained. The sensitivity was 2.97 μA/cm2mM, which is the most optimized ever reported. With such good analytical performance from a simple process, it is believed that the nanocomposites composed of ZnO nanorod powder surface-coated with carbon material are promising for the development of cost-effective non-enzymatic electrochemical glucose biosensors with high sensitivity. PMID:28336869

Optical properties of nanocrystalline potassium lithium niobate in the glass system (100-x) TeO2-x(1.5K2O-Li2O-2.5Nb2O5).

PubMed

Ahamad, M Niyaz; Varma, K B R

2009-08-01

Optically clear glasses of various compositions in the system (100-x) TeO2-x(1.5K2O-Li2O-2.5Nb2O5) (2 < or = x < or = 12, in molar ratio) were prepared by the melt-quenching technique. The glassy nature of the as-quenched samples was established via differential scanning calorimetry (DSC). The amorphous and the crystalline nature of the as-quenched and heat-treated samples were confirmed by the X-ray powder diffraction and transmission electron microscopic (TEM) studies. Transparent glasses comprising potassium lithium niobate (K3Li2Nb5O15) microcrystallites on the surface and nanocrystallites within the glass were obtained by controlled heat-treatment of the as-quenched glasses just above the glass transition temperature (T(g)). The optical transmission spectra of these glasses and glass-crystal composites of various compositions were recorded in the 200-2500 nm wavelength range. Various optical parameters such as optical band gap, Urbach energy, refractive index were determined. Second order optical non-linearity was established in the heat-treated samples by employing the Maker-Fringe method.

On foundations of discrete element analysis of contact in diarthrodial joints.

PubMed

Volokh, K Y; Chao, E Y S; Armand, M

2007-06-01

Information about the stress distribution on contact surfaces of adjacent bones is indispensable for analysis of arthritis, bone fracture and remodeling. Numerical solution of the contact problem based on the classical approaches of solid mechanics is sophisticated and time-consuming. However, the solution can be essentially simplified on the following physical grounds. The bone contact surfaces are covered with a layer of articular cartilage, which is a soft tissue as compared to the hard bone. The latter allows ignoring the bone compliance in analysis of the contact problem, i.e. rigid bones are considered to interact through a compliant cartilage. Moreover, cartilage shear stresses and strains can be ignored because of the negligible friction between contacting cartilage layers. Thus, the cartilage can be approximated by a set of unilateral compressive springs normal to the bone surface. The forces in the springs can be computed from the equilibrium equations iteratively accounting for the changing contact area. This is the essence of the discrete element analysis (DEA). Despite the success in applications of DEA to various bone contact problems, its classical formulation required experimental validation because the springs approximating the cartilage were assumed linear while the real articular cartilage exhibited non-linear mechanical response in reported tests. Recent experimental results of Ateshian and his co-workers allow for revisiting the classical DEA formulation and establishing the limits of its applicability. In the present work, it is shown that the linear spring model is remarkably valid within a wide range of large deformations of the cartilage. It is also shown how to extend the classical DEA to the case of strong nonlinearity if necessary.

DBI potential, DBI inflation action and general Lagrangian relative to phantom, K-essence and quintessence

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Qing; Huang, Yong-Chang, E-mail: ychuang@bjut.edu.cn

We derive a Dirac-Born-Infeld (DBI) potential and DBI inflation action by rescaling the metric. The determinant of the induced metric naturally includes the kinetic energy and the potential energy. In particular, the potential energy and kinetic energy can convert into each other in any order, which is in agreement with the limit of classical physics. This is quite different from the usual DBI action. We show that the Taylor expansion of the DBI action can be reduced into the form in the non-linear classical physics. These investigations are the support for the statement that the results of string theory aremore » consistent with quantum mechanics and classical physics. We deduce the Phantom, K-essence, Quintessence and Generalized Klein-Gordon Equation from the DBI model.« less

Vibrio cholerae Classical Biotype Is Converted to the Viable Non-Culturable State when Cultured with the El Tor Biotype

PubMed Central

Pradhan, Subhra; Mallick, Sanjaya K.; Chowdhury, Rukhsana

2013-01-01

A unique event in bacterial epidemiology was the emergence of the El Tor biotype of Vibrio cholerae O1 and the subsequent rapid displacement of the existing classical biotype as the predominant cause of epidemic cholera. We demonstrate that when the El Tor and classical biotypes were cocultured in standard laboratory medium a precipitous decline in colony forming units (CFU) of the classical biotype occurred in a contact dependent manner. Several lines of evidence including DNA release, microscopy and flow cytometric analysis indicated that the drastic reduction in CFU of the classical biotype in cocultures was not accompanied by lysis, although when the classical biotype was grown individually in monocultures, lysis of the cells occurred concomitant with decrease in CFU starting from late stationary phase. Furthermore, uptake of a membrane potential sensitive dye and protection of genomic DNA from extracellular DNase strongly suggested that the classical biotype cells in cocultures retained viability in spite of loss of culturability. These results suggest that coculturing the classical biotype with the El Tor biotype protects the former from lysis allowing the cells to remain viable in spite of the loss of culturability. The stationary phase sigma factor RpoS may have a role in the loss of culturability of the classical biotype in cocultures. Although competitive exclusion of closely related strains has been reported for several bacterial species, conversion of the target bacterial population to the viable non-culturable state has not been demonstrated previously and may have important implications in the evolution of bacterial strains. PMID:23326443

Effects of Al2O3, B2O3, Li2O, Na2O, and SiO2 on Nepheline Crystallization in Hanford High Level Waste Glasses

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kroll, Jared O.; Vienna, John D.; Schweiger, Michael J.

2016-09-15

Nepheline (nominally NaAlSiO4) formation during slow cooling of high-alumina (25.4 - 34.5 mass% Al2O3) Hanford high level waste glasses may significantly reduce product durability. To investigate the effects of composition on nepheline crystallization, 29 compositions were formulated by adjusting Al2O3, B2O3, Li2O, Na2O, and SiO2 around a baseline glass that precipitated 12 mass% nepheline. Thirteen of these compositions were generated by adjusting one-component-at-a-time, while two or three components were adjusted to produce the other 16 (with all remaining components staying in the same relative proportions). Quantitative X-ray diffraction was used to determine nepheline concentration in each sample. Twenty two glassesmore » precipitated nepheline, two of which also precipitated eucryptite (nominally LiAlSiO4), and one glass formed only eucryptite upon slow cooling. Increasing Na2O and Li2O had the strongest effect in promoting nepheline formation. Increasing B2O3 inhibited nepheline formation. SiO2 and Al2O3 showed non-linear behavior related to nepheline formation. The composition effects on nepheline formation in these glasses are reported.« less

Calculated rate constants for the reaction ClO + O yields Cl + O2 between 220 and 1000 deg K. [molecular trajectories and stratospheric ozone

NASA Technical Reports Server (NTRS)

Jaffee, R. L.

1978-01-01

Classical trajectory calculations are presented for the reaction ClO + O yields Cl + O2, a reaction which is an important step in the chlorine-catalyzed destruction of ozone which is thought to occur in the 220 and 1000 K. The calculated rate constant is 4.36 x 10 to the minus 11th power exp (-191/T)cu cm molecule (-1)s(-1) and its value at 300 K is 2.3 plus or minus 10 to the 11th power cu cm molecule (-1)s(-1), about a factor of 2 lower than recent experimental data. The empirical potential energy surface used in the calculations was constructed to fit experimental data for ClO, O2 and ClOO molecules. Other important features of this potential surface, such as the barrier to reaction, were varied systematically and calculations were performed for a range of conditions to determine the best theoretical rate constants. Results demonstrate the utility of classical trajectory methods for determining activation energies and other kinetic data for important atmospheric reactions.

Fracture toughness of esthetic dental coating systems by nanoindentation and FIB sectional analysis.

PubMed

Pecnik, Christina Martina; Courty, Diana; Muff, Daniel; Spolenak, Ralph

2015-07-01

Improving the esthetics of Ti-based dental implants is the last challenge remaining in the optimization process. The optical issues were recently solved by the application of highly and selectively reflective coatings on Ti implants. This work focuses on the mechanical durability of these esthetic ceramic based coating systems (with and without adhesion layers). The coating systems (Ti-ZrO2, Ti-Al-ZrO2, Ti-Ti-Al-ZrO2, Ti-Ag-ZrO2, Ti-Ti-Ag-ZrO2, Ti-Bragg and Ti-TiO2-Bragg) were subjected to nanoindentation experiments and examined using scanning electron microscopy and focused ion beam cross sectional analysis. Three coating systems contained adhesion layers (10nm of Ti or 60nm of TiO2 layers). The fracture toughness of selected samples was assessed applying two different models from literature, a classical for bulk materials and an energy-based model, which was further developed and adjusted. The ZrO2 based coating systems (total film thickness<200nm) followed a circumferential cracking behavior in contrast to Bragg coated samples (total film thickness around 1.5μm), which showed radial cracking emanating from the indent corners. For Ti-ZrO2 samples, a fracture toughness between 2.70 and 3.70MPam(1/2) was calculated using an energy-based model. The classical model was applied to Bragg coated samples and their fracture toughness ranged between 0.70 and 0.80MPam(1/2). Furthermore, coating systems containing an additional layer (Ti-Ti-Al-ZrO2, Ti-Ti-Ag-ZrO2 and Ti-TiO2-Bragg) showed an improved adhesion between the substrate and the coating. The addition of a Ti or TiO2 layer improved the adhesion between substrate and coating. The validity of the models for the assessment of the fracture toughness depended on the layer structure and fracture profile of the samples investigated here (classical model for thick coatings and energy-based model for thin coatings). Copyright © 2015 Elsevier Ltd. All rights reserved.

The kinematics of the Scorpius-Centaurus OB association from Gaia DR1

NASA Astrophysics Data System (ADS)

Wright, Nicholas J.; Mamajek, Eric E.

2018-05-01

We present a kinematic study of the Scorpius-Centaurus (Sco-Cen) OB association (Sco OB2) using Gaia DR1 parallaxes and proper motions. Our goal is to test the classical theory that OB associations are the expanded remnants of dense and compact star clusters disrupted by processes such as residual gas expulsion. Gaia astrometry is available for 258 out of 433 members of the association, with revised Hipparcos astrometry used for the remainder. We use these data to confirm that the three subgroups of Sco-Cen are gravitationally unbound and have non-isotropic velocity dispersions, suggesting that they have not had time to dynamically relax. We also explore the internal kinematics of the subgroups to search for evidence of expansion. We test Blaauw's classical linear model of expansion, search for velocity trends along the Galactic axes, compare the expanding and non-expanding convergence points, perform traceback analysis assuming both linear trajectories and using an epicycle approximation, and assess the evidence for expansion in proper motions corrected for virtual expansion/contraction. None of these methods provide coherent evidence for expansion of the subgroups, with no evidence to suggest that the subgroups had a more compact configuration in the past. We find evidence for kinematic substructure within the subgroups that supports the view that they were not formed by the disruption of individual star clusters. We conclude that Sco-Cen was likely to have been born highly substructured, with multiple small-scale star formation events contributing to the overall OB association, and not as single, monolithic burst of clustered star formation.

Multiscale Modeling of Fracture in an SiO2 Nanorod

NASA Astrophysics Data System (ADS)

Mallik, Aditi

2005-11-01

The fracture of a 108 particle SiO2 nanorod under uniaxial strain is described using an NDDO quantum mechanics. The stress -- strain curve to failure is calculated as a function of strain rate to show a domain that is independent of strain rate. A pair potential for use in classical MD is constructed such that the elastic portion of the quantum curve is reproduced. However, it is shown that the classical analysis does not describe accurately the large strain behavior and failure. Finally, a composite rod is constructed with a small subsystem described by quantum mechanics and the remainder described by classical MD ^1. The stress -- strain curves for the classical, quantum, and composite rods are compared and contrasted. 1. ``Multiscale Modeling of Materials -- Concepts and Illustration'', A. Mallik, K. Runge, J. Dufty, and H-P Cheng, cond-mat 0507558.

Creating Very True Quantum Algorithms for Quantum Energy Based Computing

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed; Diep, Do Ngoc

2018-04-01

An interpretation of quantum mechanics is discussed. It is assumed that quantum is energy. An algorithm by means of the energy interpretation is discussed. An algorithm, based on the energy interpretation, for fast determining a homogeneous linear function f( x) := s. x = s 1 x 1 + s 2 x 2 + ⋯ + s N x N is proposed. Here x = ( x 1, … , x N ), x j ∈ R and the coefficients s = ( s 1, … , s N ), s j ∈ N. Given the interpolation values (f(1), f(2),...,f(N))=ěc {y}, the unknown coefficients s = (s1(ěc {y}),\\dots , sN(ěc {y})) of the linear function shall be determined, simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Our method is based on the generalized Bernstein-Vazirani algorithm to qudit systems. Next, by using M parallel quantum systems, M homogeneous linear functions are determined, simultaneously. The speed of obtaining the set of M homogeneous linear functions is shown to outperform the classical case by a factor of N × M.

Creating Very True Quantum Algorithms for Quantum Energy Based Computing

NASA Astrophysics Data System (ADS)

Nagata, Koji; Nakamura, Tadao; Geurdes, Han; Batle, Josep; Abdalla, Soliman; Farouk, Ahmed; Diep, Do Ngoc

2017-12-01

An interpretation of quantum mechanics is discussed. It is assumed that quantum is energy. An algorithm by means of the energy interpretation is discussed. An algorithm, based on the energy interpretation, for fast determining a homogeneous linear function f(x) := s.x = s 1 x 1 + s 2 x 2 + ⋯ + s N x N is proposed. Here x = (x 1, … , x N ), x j ∈ R and the coefficients s = (s 1, … , s N ), s j ∈ N. Given the interpolation values (f(1), f(2),...,f(N))=ěc {y}, the unknown coefficients s = (s1(ěc {y}),\\dots , sN(ěc {y})) of the linear function shall be determined, simultaneously. The speed of determining the values is shown to outperform the classical case by a factor of N. Our method is based on the generalized Bernstein-Vazirani algorithm to qudit systems. Next, by using M parallel quantum systems, M homogeneous linear functions are determined, simultaneously. The speed of obtaining the set of M homogeneous linear functions is shown to outperform the classical case by a factor of N × M.

Direct electron transfer of glucose oxidase and dual hydrogen peroxide and glucose detection based on water-dispersible carbon nanotubes derivative.

PubMed

Chen, Hsiao-Chien; Tu, Yi-Ming; Hou, Chung-Che; Lin, Yu-Chen; Chen, Ching-Hsiang; Yang, Kuang-Hsuan

2015-03-31

A water-dispersible multi-walled carbon nanotubes (MWCNTs) derivative, MWCNTs-1-one-dihydroxypyridine (MWCNTs-Py) was synthesis via Friedel-Crafts chemical acylation. Raman spectra demonstrated the conjugated level of MWCNTs-Py was retained after this chemical modification. MWCNTs-Py showed dual hydrogen peroxide (H2O2) and glucose detections without mutual interference by adjusting pH value. It was sensitive to H2O2 in acidic solution and displayed the high performances of sensitivity, linear range, response time and stability; meanwhile it did not respond to H2O2 in neutral solution. In addition, this positively charged MWCNTs-Py could adsorb glucose oxidase (GOD) by electrostatic attraction. MWCNTs-Py-GOD/GC electrode showed the direct electron transfer (DET) of GOD with a pair of well-defined redox peaks, attesting the bioactivity of GOD was retained due to the non-destroyed immobilization. The high surface coverage of active GOD (3.5×10(-9) mol cm(-2)) resulted in exhibiting a good electrocatalytic activity toward glucose. This glucose sensor showed high sensitivity (68.1 μA mM(-1) cm(-2)) in a linear range from 3 μM to 7 mM in neutral buffer solution. The proposed sensor could distinguish H2O2 and glucose, thus owning high selectivity and reliability. Copyright © 2015. Published by Elsevier B.V.

The solvent effects on dimethyl phthalate investigated by FTIR characterization, solvent parameter correlation and DFT computation

NASA Astrophysics Data System (ADS)

Chen, Yi; Zhang, Hui; Zhou, Wenzhao; Deng, Chao; Liao, Jian

2018-06-01

This study set out with the aim of investigating the solvent effects on dimethyl phthalate (DMP) using FTIR characterization, solvent parameter correlation and DFT calculation. DMP exposed to 17 organic solvents manifested varying shift in the carbonyl stretching vibration frequency (νCdbnd O). Non-alkanols induced Band I and alkanols produced Band I and Band II. Through correlating the νCdbnd O with the empirical solvent scales including acceptor parameter (AN), Schleyer's linear free energy parameter (G), and linear free salvation energy relationships (LSER), Band I was mainly ascribed to non-specific effects from either non-alkanols or alkanol polymers ((alkanol)n). νCdbnd O of the latter indicated minor red shift and less variability compared to the former. An assumption was made and validated about the sequestering of hydroxyl group by the bulky hydrophobic chain in (alkanol)n, creating what we refer to as "screening effects". Ab initio calculation, on the other hand, provided insights for possible hydrogen binding between DMP and (ethanol)n or between ethanol monomers. The two components of Band I observed in inert solvents were assigned to the two Cdbnd O groups adopting differentiated conformations. This in turn prompted our consideration that hydrogen binding was highly selective in favor of lowly associated (alkanol)n and the particular Cdbnd O group having relatively less steric hindrance and stronger electron-donating capacity. Band II was therefore believed to derive from hydrogen-bond interactions mainly in manner of 1:1 and 1:2 DMP-(alkanol)n complexes.

Experimental and numerical analysis of pre-compressed masonry walls in two-way-bending with second order effects

DOE Office of Scientific and Technical Information (OSTI.GOV)

Milani, Gabriele, E-mail: milani@stru.polimi.it; Olivito, Renato S.; Tralli, Antonio

2014-10-06

The buckling behavior of slender unreinforced masonry (URM) walls subjected to axial compression and out-of-plane lateral loads is investigated through a combined experimental and numerical homogenizedapproach. After a preliminary analysis performed on a unit cell meshed by means of elastic FEs and non-linear interfaces, macroscopic moment-curvature diagrams so obtained are implemented at a structural level, discretizing masonry by means of rigid triangular elements and non-linear interfaces. The non-linear incremental response of the structure is accounted for a specific quadratic programming routine. In parallel, a wide experimental campaign is conducted on walls in two way bending, with the double aim ofmore » both validating the numerical model and investigating the behavior of walls that may not be reduced to simple cantilevers or simply supported beams. Panels investigated are dry-joint in scale square walls simply supported at the base and on a vertical edge, exhibiting the classical Rondelet’s mechanism. The results obtained are compared with those provided by the numerical model.« less

Catenary-induced geometric nonlinearity effects on cable linear vibrations

NASA Astrophysics Data System (ADS)

Mansour, Achref; Mekki, Othman Ben; Montassar, Sami; Rega, Giuseppe

2018-01-01

This paper investigates the free undamped vibrations of cables of arbitrary sag and inclination according to the catenary theory. The proposed approach accounts for the catenary effect on the static profile around which the cable motion is defined. Considering first order geometric nonlinearities, exact expression of the curvature is obtained along with the ensuing correction of the well known Irvine parameter. Taking into account the new characterization, different regions of shallow and non-shallow profiles are identified for various inclinations. In view of such classification, the analysis carried out on cable linear modal properties shows the emergence of new dynamic features such as additional hybrid modes and internal resonances. Analytical and numerical results reduce to those obtained by classic formulations in the cases of both horizontal and inclined shallow/non-shallow cables.

Nonlinear multivariate and time series analysis by neural network methods

NASA Astrophysics Data System (ADS)

Hsieh, William W.

2004-03-01

Methods in multivariate statistical analysis are essential for working with large amounts of geophysical data, data from observational arrays, from satellites, or from numerical model output. In classical multivariate statistical analysis, there is a hierarchy of methods, starting with linear regression at the base, followed by principal component analysis (PCA) and finally canonical correlation analysis (CCA). A multivariate time series method, the singular spectrum analysis (SSA), has been a fruitful extension of the PCA technique. The common drawback of these classical methods is that only linear structures can be correctly extracted from the data. Since the late 1980s, neural network methods have become popular for performing nonlinear regression and classification. More recently, neural network methods have been extended to perform nonlinear PCA (NLPCA), nonlinear CCA (NLCCA), and nonlinear SSA (NLSSA). This paper presents a unified view of the NLPCA, NLCCA, and NLSSA techniques and their applications to various data sets of the atmosphere and the ocean (especially for the El Niño-Southern Oscillation and the stratospheric quasi-biennial oscillation). These data sets reveal that the linear methods are often too simplistic to describe real-world systems, with a tendency to scatter a single oscillatory phenomenon into numerous unphysical modes or higher harmonics, which can be largely alleviated in the new nonlinear paradigm.

The non-statistical dynamics of the 18O + 32O2 isotope exchange reaction at two energies

NASA Astrophysics Data System (ADS)

Van Wyngarden, Annalise L.; Mar, Kathleen A.; Quach, Jim; Nguyen, Anh P. Q.; Wiegel, Aaron A.; Lin, Shi-Ying; Lendvay, Gyorgy; Guo, Hua; Lin, Jim J.; Lee, Yuan T.; Boering, Kristie A.

2014-08-01

The dynamics of the 18O(3P) + 32O2 isotope exchange reaction were studied using crossed atomic and molecular beams at collision energies (Ecoll) of 5.7 and 7.3 kcal/mol, and experimental results were compared with quantum statistical (QS) and quasi-classical trajectory (QCT) calculations on the O3(X1A') potential energy surface (PES) of Babikov et al. [D. Babikov, B. K. Kendrick, R. B. Walker, R. T. Pack, P. Fleurat-Lesard, and R. Schinke, J. Chem. Phys. 118, 6298 (2003)]. In both QS and QCT calculations, agreement with experiment was markedly improved by performing calculations with the experimental distribution of collision energies instead of fixed at the average collision energy. At both collision energies, the scattering displayed a forward bias, with a smaller bias at the lower Ecoll. Comparisons with the QS calculations suggest that 34O2 is produced with a non-statistical rovibrational distribution that is hotter than predicted, and the discrepancy is larger at the lower Ecoll. If this underprediction of rovibrational excitation by the QS method is not due to PES errors and/or to non-adiabatic effects not included in the calculations, then this collision energy dependence is opposite to what might be expected based on collision complex lifetime arguments and opposite to that measured for the forward bias. While the QCT calculations captured the experimental product vibrational energy distribution better than the QS method, the QCT results underpredicted rotationally excited products, overpredicted forward-bias and predicted a trend in the strength of forward-bias with collision energy opposite to that measured, indicating that it does not completely capture the dynamic behavior measured in the experiment. Thus, these results further underscore the need for improvement in theoretical treatments of dynamics on the O3(X1A') PES and perhaps of the PES itself in order to better understand and predict non-statistical effects in this reaction and in the formation of ozone (in which the intermediate O3* complex is collisionally stabilized by a third body). The scattering data presented here at two different collision energies provide important benchmarks to guide these improvements.

Antiferroelectricity in lanthanum doped zirconia without metallic capping layers and post-deposition/-metallization anneals

NASA Astrophysics Data System (ADS)

Wang, Zheng; Gaskell, Anthony Arthur; Dopita, Milan; Kriegner, Dominik; Tasneem, Nujhat; Mack, Jerry; Mukherjee, Niloy; Karim, Zia; Khan, Asif Islam

2018-05-01

We report the effects of lanthanum doping/alloying on antiferroelectric (AFE) properties of ZrO2. Starting with pure ZrO2, an increase in La doping leads to the narrowing of the AFE double hysteresis loops and an increase in the critical voltage/electric field for AFE → ferroelectric transition. At higher La contents, the polarization-voltage characteristics of doped/alloyed ZrO2 resemble that of a non-linear dielectric without any discernible AFE-type hysteresis. X-ray diffraction based analysis indicates that the increased La content while preserving the non-polar, parent AFE, tetragonal P42/nmc phase leads to a decrease in tetragonality and the (nano-)crystallite size and an increase in the unit cell volume. Furthermore, antiferroelectric behavior is obtained in the as-deposited thin films without requiring any capping metallic layers and post-deposition/-metallization anneals due to which our specific atomic layer deposition system configuration crystallizes and stabilizes the AFE tetragonal phase during growth.

[Influence of hypoxia and hyperoxia on the 2,3-diphosphoglycerate concentration in rat red blood cells].

PubMed

Gross, J; Beischukurowa, A; Lun, A; Pohle, R; Voitkevich, V; Scherba, M M

1978-01-01

The influence of hypoxia (pO2 = 85 mmHg) lasting 5 h, a strong single bleeding of the animals, and the effect of hyperoxia (pO2 = 745 and 1520 mmHg) lasting 24 and 5 h, respectively, on the 2.3-DPG concentration of red cells from rat has been studied. A distinct increase in 2.3-DPG concentration at hypoxia and bleedig, but no reliable alteration in hyperoxia were found. When bled and anemic animals are exposed to hyperoxia (24 h, pO2 = 745 mmHg, normal air pressure) there is also observed a rise of 2.3-DPG concentration, which is much less than in normoxia. A non-linear relationship was established between the change of 2.3-DPG concentration and the percentage of deoxyhemoglobin in the centralvenous blood.

On Spectral Invariance of Single Scattering Albedo for Water Droplets and Ice Crystals at Weakly Absorbing Wavelengths

NASA Technical Reports Server (NTRS)

Marshak, Alexander; Knyazikhin, Yuri; Chiu, J. Christine; Wiscombe, Warren J.

2012-01-01

The single scattering albedo omega(sub O lambda) in atmospheric radiative transfer is the ratio of the scattering coefficient to the extinction coefficient. For cloud water droplets both the scattering and absorption coefficients, thus the single scattering albedo, are functions of wavelength lambda and droplet size r. This note shows that for water droplets at weakly absorbing wavelengths, the ratio omega(sub O lambda)(r)/omega(sub O lambda)(r (sub O)) of two single scattering albedo spectra is a linear function of omega(sub O lambda)(r). The slope and intercept of the linear function are wavelength independent and sum to unity. This relationship allows for a representation of any single scattering albedo spectrum omega(sub O lambda)(r) via one known spectrum omega(sub O lambda)(r (sub O)). We provide a simple physical explanation of the discovered relationship. Similar linear relationships were found for the single scattering albedo spectra of non-spherical ice crystals.

Validity of the classical monte carlo method to model the magnetic properties of a large transition-metal cluster: Mn19.

PubMed

Lima, Nicola; Caneschi, Andrea; Gatteschi, Dante; Kritikos, Mikael; Westin, L Gunnar

2006-03-20

The susceptibility of the large transition-metal cluster [Mn19O12(MOE)14(MOEH)10].MOEH (MOE = OC2H2O-CH3) has been fitted through classical Monte Carlo simulation, and an estimation of the exchange coupling constants has been done. With these results, it has been possible to perform a full-matrix diagonalization of the cluster core, which was used to provide information on the nature of the low-lying levels.

Review of iron-free Fenton-like systems for activating H2O2 in advanced oxidation processes.

PubMed

Bokare, Alok D; Choi, Wonyong

2014-06-30

Iron-catalyzed hydrogen peroxide decomposition for in situ generation of hydroxyl radicals (HO(•)) has been extensively developed as advanced oxidation processes (AOPs) for environmental applications. A variety of catalytic iron species constituting metal salts (in Fe(2+) or Fe(3+) form), metal oxides (e.g., Fe2O3, Fe3O4), and zero-valent metal (Fe(0)) have been exploited for chemical (classical Fenton), photochemical (photo-Fenton) and electrochemical (electro-Fenton) degradation pathways. However, the requirement of strict acidic conditions to prevent iron precipitation still remains the bottleneck for iron-based AOPs. In this article, we present a thorough review of alternative non-iron Fenton catalysts and their reactivity towards hydrogen peroxide activation. Elements with multiple redox states (like chromium, cerium, copper, cobalt, manganese and ruthenium) all directly decompose H2O2 into HO(•) through conventional Fenton-like pathways. The in situ formation of H2O2 and decomposition into HO(•) can be also achieved using electron transfer mechanism in zero-valent aluminum/O2 system. Although these Fenton systems (except aluminum) work efficiently even at neutral pH, the H2O2 activation mechanism is very specific to the nature of the catalyst and critically depends on its composition. This review describes in detail the complex mechanisms and emphasizes on practical limitations influencing their environmental applications. Copyright © 2014 Elsevier B.V. All rights reserved.

A non-enzymatic amperometric hydrogen peroxide sensor based on iron nanoparticles decorated reduced graphene oxide nanocomposite.

PubMed

Amanulla, Baishnisha; Palanisamy, Selvakumar; Chen, Shen-Ming; Velusamy, Vijayalakshmi; Chiu, Te-Wei; Chen, Tse-Wei; Ramaraj, Sayee Kannan

2017-02-01

A simple and facile green process was used for the synthesis of iron nanoparticles (FeNPs) decorated reduced graphene oxide (rGO) nanocomposite by using Ipomoea pes-tigridis leaf extract as a reducing and stabilizing agent. The as-prepared rGO/FeNPs nanocomposite was characterized by transmission electron microscopy, X-ray spectroscopy and Fourier transform infrared spectroscopy. The nanocomposite was further modified on the glassy carbon electrode and used for non-enzymatic sensing of hydrogen peroxide (H 2 O 2 ). Cyclic voltammetry results reveal that rGO/FeNPs nanocomposite has excellent electro-reduction behavior to H 2 O 2 when compared to the response of FeNPs and rGO modified electrodes. Furthermore, the nanocomposite modified electrode shows 9 and 6 folds enhanced reduction current response to H 2 O 2 than that of rGO and FeNPs modified electrodes. Amperometric method was further used to quantify the H 2 O 2 using rGO/FeNPs nanocomposite, and the response was linear over the concentration ranging from 0.1μM to 2.15mM. The detection limit and sensitivity of the sensor were estimated as 0.056μM and 0.2085μAμM -1 cm -2 , respectively. The fabricated sensor also utilized for detection of H 2 O 2 in the presence of potentially active interfering species, and found high selectivity towards H 2 O 2 . Copyright © 2016 Elsevier Inc. All rights reserved.

Correlation between oxygen adsorption energy and electronic structure of transition metal macrocyclic complexes.

PubMed

Liu, Kexi; Lei, Yinkai; Wang, Guofeng

2013-11-28

Oxygen adsorption energy is directly relevant to the catalytic activity of electrocatalysts for oxygen reduction reaction (ORR). In this study, we established the correlation between the O2 adsorption energy and the electronic structure of transition metal macrocyclic complexes which exhibit activity for ORR. To this end, we have predicted the molecular and electronic structures of a series of transition metal macrocyclic complexes with planar N4 chelation, as well as the molecular and electronic structures for the O2 adsorption on these macrocyclic molecules, using the density functional theory calculation method. We found that the calculated adsorption energy of O2 on the transition metal macrocyclic complexes was linearly related to the average position (relative to the lowest unoccupied molecular orbital of the macrocyclic complexes) of the non-bonding d orbitals (d(z(2)), d(xy), d(xz), and d(yz)) which belong to the central transition metal atom. Importantly, our results suggest that varying the energy level of the non-bonding d orbitals through changing the central transition metal atom and/or peripheral ligand groups could be an effective way to tuning their O2 adsorption energy for enhancing the ORR activity of transition metal macrocyclic complex catalysts.

Classical phase space and Hadamard states in the BRST formalism for gauge field theories on curved spacetime

NASA Astrophysics Data System (ADS)

Wrochna, Michał; Zahn, Jochen

We investigate linearized gauge theories on globally hyperbolic spacetimes in the BRST formalism. A consistent definition of the classical phase space and of its Cauchy surface analogue is proposed. We prove that it is isomorphic to the phase space in the ‘subsidiary condition’ approach of Hack and Schenkel in the case of Maxwell, Yang-Mills, and Rarita-Schwinger fields. Defining Hadamard states in the BRST formalism in a standard way, their existence in the Maxwell and Yang-Mills case is concluded from known results in the subsidiary condition (or Gupta-Bleuler) formalism. Within our framework, we also formulate criteria for non-degeneracy of the phase space in terms of BRST cohomology and discuss special cases. These include an example in the Yang-Mills case, where degeneracy is not related to a non-trivial topology of the Cauchy surface.

Control of mechanical response of freestanding PbZr0.52Ti0.48O3 films through texture

NASA Astrophysics Data System (ADS)

Das, Debashish; Sanchez, Luz; Martin, Joel; Power, Brian; Isaacson, Steven; Polcawich, Ronald G.; Chasiotis, Ioannis

2016-09-01

The texture of piezoelectric lead zirconate titanate (PZT) thin films plays a key role in their mechanical response and linearity in the stress vs. strain behavior. The open circuit mechanical properties of PZT films with controlled texture varying from 100% (001) to 100% (111) were quantified with the aid of direct strain measurements from freestanding thin film specimens. The texture was tuned using a highly {111}-textured Pt substrate and excess-Pb in the PbTiO3 seed layer. The mechanical and ferroelastic properties of 500 nm thick PZT (52/48) films were found to be strongly dependent on grain orientation: the lowest elastic modulus of 90 ± 2 GPa corresponded to pure (001) texture, and its value increased linearly with the percentage of (111) texture reaching 122 ± 3 GPa for pure (111) texture. These elastic modulus values were between those computed for transversely isotropic textured PZT films by using the soft and hard bulk PZT compliance coefficients. Pure (001) texture exhibited maximum non-linearity and ferroelastic domain switching, contrary to pure (111) texture that exhibited more linearity and the least amount of switching. A micromechanics model was employed to calculate the strain due to domain switching. The model fitted well the non-linearities in the experimental stress-strain curves of (001) and (111) textured PZT films, predicting 17% and 10% of switched 90° domains that initially were favorably aligned with the applied stress in (001) and (111) textured PZT films, respectively.

Non-classical behaviour of higher valence dopants in chromium (III) oxide by a Cr vacancy compensation mechanism

NASA Astrophysics Data System (ADS)

Carey, John J.; Nolan, Michael

2017-10-01

Modification of metal oxides with dopants that have a stable oxidation in their parent oxides which is higher than the host system is expected to introduce extra electrons into the material to improve carrier mobility. This is essential for applications in catalysis, SOFCs and solar energy materials. Density functional theory calculations are used to investigate the change in electronic and geometric structure of chromium (III) oxide by higher valence dopants, namely; Ce, Ti, V and Zr. For single metal doping, we find that the dopants with variable oxidation states, Ce, Ti and V, adopt a valence state of  +3, while Zr dopant has a  +4 oxidation state and reduces a neighbouring Cr cation. Chromium vacancy formation is greatly enhanced for all dopants, and favoured over oxygen vacancy formation. The Cr vacancies generate holes which oxidise Ce, Ti and V from  +3 to  +4, while also oxidising lattice oxygen sites. For Zr doping, the generated holes oxidise the reduced Cr2+ cation back to Cr3+ and also two lattice oxygen atoms. Three metal atoms in the bulk lattice facilitate spontaneous Cr vacancy from charge compensation. A non-classical compensation mechanism is observed for Ce, Ti and V; all three metals are oxidised from  +3 to  +4, which explains experimental observations that these metals have a  +4 oxidation state in Cr2O3. Charge compensation of the three Zr metals proceeds by a classical higher valence doping mechanism; the three dopants reduce three Cr cations, which are subsequently charge compensated by a Cr vacancy oxidising three Cr2+ to Cr3+. The compensated structures are the correct ground state electronic structure for these doped systems, and used as a platform to investigate cation/anion vacancy formation. Unlike the single metal doped bulks, preference is now given for oxygen vacancy formation over Cr vacancy formation, indicating that the dopants increase the reducibility of Cr2O3 with Ce doping showing the strongest enhancement. The importance of the correct ground state in determining the formation of defects is emphasised.

An analysis of a large dataset on immigrant integration in Spain. The Statistical Mechanics perspective on Social Action

NASA Astrophysics Data System (ADS)

Barra, Adriano; Contucci, Pierluigi; Sandell, Rickard; Vernia, Cecilia

2014-02-01

How does immigrant integration in a country change with immigration density? Guided by a statistical mechanics perspective we propose a novel approach to this problem. The analysis focuses on classical integration quantifiers such as the percentage of jobs (temporary and permanent) given to immigrants, mixed marriages, and newborns with parents of mixed origin. We find that the average values of different quantifiers may exhibit either linear or non-linear growth on immigrant density and we suggest that social action, a concept identified by Max Weber, causes the observed non-linearity. Using the statistical mechanics notion of interaction to quantitatively emulate social action, a unified mathematical model for integration is proposed and it is shown to explain both growth behaviors observed. The linear theory instead, ignoring the possibility of interaction effects would underestimate the quantifiers up to 30% when immigrant densities are low, and overestimate them as much when densities are high. The capacity to quantitatively isolate different types of integration mechanisms makes our framework a suitable tool in the quest for more efficient integration policies.

Effect of pH on the electrical properties and conducting mechanism of SnO2 nanoparticles

NASA Astrophysics Data System (ADS)

Periathai, R. Sudha; Abarna, S.; Hirankumar, G.; Jeyakumaran, N.; Prithivikumaran, N.

2017-03-01

Semiconductor nanoparticles have attracted more interests because of their size-dependent optical and electrical properties.SnO2 is an oxygen-deficient n-type semiconductor with a wide band gap of 3.6 eV (300 K). It has many remarkable applications as sensors, catalysts, transparent conducting electrodes, anode material for rechargeable Li- ion batteries and optoelectronic devices. In the present work, the role of pH in determining the electrical and dielectric properties of SnO2 nanoparticles has been studied as a function of temperature ranging from Room temperature (RT) to 114 °C in the frequency range of 7 MHz to 50 mHz using impedance spectroscopic technique. The non linear behavior observed in the thermal dependence of the conductance of SnO2 nanoparticles is explained by means of the surface property of SnO2 nanoparticles where proton hopping mechanism is dealt with. Jonscher's power law has been fitted for the conductance spectra and the frequency exponent ("s" value) gives an insight about the ac conducting mechanism. The temperature dependence of electrical relaxation phenomenon in the material has been observed. The complex electric modulus analysis indicates the possibility of hopping conduction mechanism in the system with non-exponential type of conductivity relaxation.

The influences of shape and structure of MnO2 nanomaterials over the non-enzymatic sensing ability of hydrogen peroxide

NASA Astrophysics Data System (ADS)

Babu, K. Justice; Zahoor, Awan; Nahm, Kee Suk; Ramachandran, R.; Rajan, M. A. Jothi; Gnana kumar, G.

2014-02-01

The different morphologies of MnO2 nanomaterials such as rod, belt, and flower were synthesized through a facile hydrothermal method, and their phases were also effectively controlled without employing any organic surfactants. The growth mechanisms of prepared nanostructures has been rationalized through the observed morphologic and structural characterizations. The prepared MnO2 nanostructures improved the electron transfer kinetics and minimized the overpotential and exhibited good electrocatalytic activities in detecting the hydrogen peroxide. Among the studied nanostructures, r-MnO2 exhibited an excellent sensing behavior toward hydrogen peroxide, and a linear current response was observed for the hydrogen peroxide, ranging from 1 micromolar to 1.5 mM with a high-sensitivity and low-level detection limit of 62.9 μAmM-1 cm-2 and 0.1 μM, respectively. Moreover, r-MnO2-modified electrode exhibited high selectivity toward hydrogen peroxide and interference-free phenomenon for the other electroactive species.

Lenard-Balescu calculations and classical molecular dynamics simulations of electrical and thermal conductivities of hydrogen plasmas

DOE PAGES

Whitley, Heather D.; Scullard, Christian R.; Benedict, Lorin X.; ...

2014-12-04

Here, we present a discussion of kinetic theory treatments of linear electrical and thermal transport in hydrogen plasmas, for a regime of interest to inertial confinement fusion applications. In order to assess the accuracy of one of the more involved of these approaches, classical Lenard-Balescu theory, we perform classical molecular dynamics simulations of hydrogen plasmas using 2-body quantum statistical potentials and compute both electrical and thermal conductivity from out particle trajectories using the Kubo approach. Our classical Lenard-Balescu results employing the identical statistical potentials agree well with the simulations.

Nonlinear Control of a Reusable Rocket Engine for Life Extension

NASA Technical Reports Server (NTRS)

Lorenzo, Carl F.; Holmes, Michael S.; Ray, Asok

1998-01-01

This paper presents the conceptual development of a life-extending control system where the objective is to achieve high performance and structural durability of the plant. A life-extending controller is designed for a reusable rocket engine via damage mitigation in both the fuel (H2) and oxidizer (O2) turbines while achieving high performance for transient responses of the combustion chamber pressure and the O2/H2 mixture ratio. The design procedure makes use of a combination of linear and nonlinear controller synthesis techniques and also allows adaptation of the life-extending controller module to augment a conventional performance controller of the rocket engine. The nonlinear aspect of the design is achieved using non-linear parameter optimization of a prescribed control structure. Fatigue damage in fuel and oxidizer turbine blades is primarily caused by stress cycling during start-up, shutdown, and transient operations of a rocket engine. Fatigue damage in the turbine blades is one of the most serious causes for engine failure.

Reduced-order model based feedback control of the modified Hasegawa-Wakatani model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goumiri, I. R.; Rowley, C. W.; Ma, Z.

2013-04-15

In this work, the development of model-based feedback control that stabilizes an unstable equilibrium is obtained for the Modified Hasegawa-Wakatani (MHW) equations, a classic model in plasma turbulence. First, a balanced truncation (a model reduction technique that has proven successful in flow control design problems) is applied to obtain a low dimensional model of the linearized MHW equation. Then, a model-based feedback controller is designed for the reduced order model using linear quadratic regulators. Finally, a linear quadratic Gaussian controller which is more resistant to disturbances is deduced. The controller is applied on the non-reduced, nonlinear MHW equations to stabilizemore » the equilibrium and suppress the transition to drift-wave induced turbulence.« less

Reduced-Order Model Based Feedback Control For Modified Hasegawa-Wakatani Model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Goumiri, I. R.; Rowley, C. W.; Ma, Z.

2013-01-28

In this work, the development of model-based feedback control that stabilizes an unstable equilibrium is obtained for the Modi ed Hasegawa-Wakatani (MHW) equations, a classic model in plasma turbulence. First, a balanced truncation (a model reduction technique that has proven successful in ow control design problems) is applied to obtain a low dimensional model of the linearized MHW equation. Then a modelbased feedback controller is designed for the reduced order model using linear quadratic regulators (LQR). Finally, a linear quadratic gaussian (LQG) controller, which is more resistant to disturbances is deduced. The controller is applied on the non-reduced, nonlinear MHWmore » equations to stabilize the equilibrium and suppress the transition to drift-wave induced turbulence.« less

On mathematical modelling of aeroelastic problems with finite element method

NASA Astrophysics Data System (ADS)

Sváček, Petr

2018-06-01

This paper is interested in solution of two-dimensional aeroelastic problems. Two mathematical models are compared for a benchmark problem. First, the classical approach of linearized aerodynamical forces is described to determine the aeroelastic instability and the aeroelastic response in terms of frequency and damping coefficient. This approach is compared to the coupled fluid-structure model solved with the aid of finite element method used for approximation of the incompressible Navier-Stokes equations. The finite element approximations are coupled to the non-linear motion equations of a flexibly supported airfoil. Both methods are first compared for the case of small displacement, where the linearized approach can be well adopted. The influence of nonlinearities for the case of post-critical regime is discussed.

Superfast algorithms of multidimensional discrete k-wave transforms and Volterra filtering based on superfast radon transform

NASA Astrophysics Data System (ADS)

Labunets, Valeri G.; Labunets-Rundblad, Ekaterina V.; Astola, Jaakko T.

2001-12-01

Fast algorithms for a wide class of non-separable n-dimensional (nD) discrete unitary K-transforms (DKT) are introduced. They need less 1D DKTs than in the case of the classical radix-2 FFT-type approach. The method utilizes a decomposition of the nD K-transform into the product of a new nD discrete Radon transform and of a set of parallel/independ 1D K-transforms. If the nD K-transform has a separable kernel (e.g., the case of the discrete Fourier transform) our approach leads to decrease of multiplicative complexity by the factor of n comparing to the classical row/column separable approach. It is well known that an n-th order Volterra filter of one dimensional signal can be evaluated by an appropriate nD linear convolution. This work describes new superfast algorithm for Volterra filtering. New approach is based on the superfast discrete Radon and Nussbaumer polynomial transforms.

Projective limits of state spaces III. Toy-models

NASA Astrophysics Data System (ADS)

Lanéry, Suzanne; Thiemann, Thomas

2018-01-01

In this series of papers, we investigate the projective framework initiated by Kijowski (1977) and Okołów (2009, 2014, 2013) [1,2], which describes the states of a quantum theory as projective families of density matrices. A short reading guide to the series can be found in Lanéry (2016). A strategy to implement the dynamics in this formalism was presented in our first paper Lanéry and Thiemann (2017) (see also Lanéry, 2016, section 4), which we now test in two simple toy-models. The first one is a very basic linear model, meant as an illustration of the general procedure, and we will only discuss it at the classical level. In the second one, we reformulate the Schrödinger equation, treated as a classical field theory, within this projective framework, and proceed to its (non-relativistic) second quantization. We are then able to reproduce the physical content of the usual Fock quantization.

Mathematical Modeling of Intestinal Iron Absorption Using Genetic Programming

PubMed Central

Colins, Andrea; Gerdtzen, Ziomara P.; Nuñez, Marco T.; Salgado, J. Cristian

2017-01-01

Iron is a trace metal, key for the development of living organisms. Its absorption process is complex and highly regulated at the transcriptional, translational and systemic levels. Recently, the internalization of the DMT1 transporter has been proposed as an additional regulatory mechanism at the intestinal level, associated to the mucosal block phenomenon. The short-term effect of iron exposure in apical uptake and initial absorption rates was studied in Caco-2 cells at different apical iron concentrations, using both an experimental approach and a mathematical modeling framework. This is the first report of short-term studies for this system. A non-linear behavior in the apical uptake dynamics was observed, which does not follow the classic saturation dynamics of traditional biochemical models. We propose a method for developing mathematical models for complex systems, based on a genetic programming algorithm. The algorithm is aimed at obtaining models with a high predictive capacity, and considers an additional parameter fitting stage and an additional Jackknife stage for estimating the generalization error. We developed a model for the iron uptake system with a higher predictive capacity than classic biochemical models. This was observed both with the apical uptake dataset used for generating the model and with an independent initial rates dataset used to test the predictive capacity of the model. The model obtained is a function of time and the initial apical iron concentration, with a linear component that captures the global tendency of the system, and a non-linear component that can be associated to the movement of DMT1 transporters. The model presented in this paper allows the detailed analysis, interpretation of experimental data, and identification of key relevant components for this complex biological process. This general method holds great potential for application to the elucidation of biological mechanisms and their key components in other complex systems. PMID:28072870

The Biharmonic Oscillator and Asymmetric Linear Potentials: From Classical Trajectories to Momentum-Space Probability Densities in the Extreme Quantum Limit

ERIC Educational Resources Information Center

Ruckle, L. J.; Belloni, M.; Robinett, R. W.

2012-01-01

The biharmonic oscillator and the asymmetric linear well are two confining power-law-type potentials for which complete bound-state solutions are possible in both classical and quantum mechanics. We examine these problems in detail, beginning with studies of their trajectories in position and momentum space, evaluation of the classical probability…

On Exact Solutions of Rarefaction-Rarefaction Interactions in Compressible Isentropic Flow

NASA Astrophysics Data System (ADS)

Jenssen, Helge Kristian

2017-12-01

Consider the interaction of two centered rarefaction waves in one-dimensional, compressible gas flow with pressure function p(ρ )=a^2ρ ^γ with γ >1. The classic hodograph approach of Riemann provides linear 2nd order equations for the time and space variables t, x as functions of the Riemann invariants r, s within the interaction region. It is well known that t( r, s) can be given explicitly in terms of the hypergeometric function. We present a direct calculation (based on works by Darboux and Martin) of this formula, and show how the same approach provides an explicit formula for x( r, s) in terms of Appell functions (two-variable hypergeometric functions). Motivated by the issue of vacuum and total variation estimates for 1-d Euler flows, we then use the explicit t-solution to monitor the density field and its spatial variation in interactions of two centered rarefaction waves. It is found that the variation is always non-monotone, and that there is an overall increase in density variation if and only if γ >3. We show that infinite duration of the interaction is characterized by approach toward vacuum in the interaction region, and that this occurs if and only if the Riemann problem defined by the extreme initial states generates a vacuum. Finally, it is verified that the minimal density in such interactions decays at rate O(1)/ t.

The serotonin 5-HT2C receptor and the non-addictive nature of classic hallucinogens.

PubMed

Canal, Clinton E; Murnane, Kevin S

2017-01-01

Classic hallucinogens share pharmacology as serotonin 5-HT 2A , 5-HT 2B , and 5-HT 2C receptor agonists. Unique among most other Schedule 1 drugs, they are generally non-addictive and can be effective tools in the treatment of addiction. Mechanisms underlying these attributes are largely unknown. However, many preclinical studies show that 5-HT 2C agonists counteract the addictive effects of drugs from several classes, suggesting this pharmacological property of classic hallucinogens may be significant. Drawing from a comprehensive analysis of preclinical behavior, neuroanatomy, and neurochemistry studies, this review builds rationale for this hypothesis, and also proposes a testable, neurobiological framework. 5-HT 2C agonists work, in part, by modulating dopamine neuron activity in the ventral tegmental area-nucleus accumbens (NAc) reward pathway. We argue that activation of 5-HT 2C receptors on NAc shell, GABAergic, medium spiny neurons inhibits potassium Kv1.x channels, thereby enhancing inhibitory activity via intrinsic mechanisms. Together with experiments that show that addictive drugs, such as cocaine, potentiate Kv1.x channels, thereby suppressing NAc shell GABAergic activity, this hypothesis provides a mechanism by which classic hallucinogen-mediated stimulation of 5-HT 2C receptors could thwart addiction. It also provides a potential reason for the non-addictive nature of classic hallucinogens.

Ferritin-mediated biomimetic synthesis of bimetallic Au-Ag nanoparticles on graphene nanosheets for electrochemical detection of hydrogen peroxide

NASA Astrophysics Data System (ADS)

Wang, Li; Wang, Jiku; Ni, Pengjuan; Li, Zhuang

2015-03-01

We demonstrated a biomimetic green synthesis of bimetallic Au-Ag nanoparticles (NPs) on graphene nanosheets (GNs). The spherical protein, ferritin (Fr), was bound onto GNs and served as the template for the synthesis of GN/Au-Ag nanohybrids. The created GN/Au-Ag nanohybrids were further utilized to fabricate a non-enzymatic amperometric biosensor for the sensitive detection of hydrogen peroxide (H2O2), and this biosensor displayed high performances to determine H2O2 with a detection limit of 20.0 × 10-6 M and a linear detection range from 2.0 μM to 7.0 mM.

Infrared reduction, an efficient method to control the non-linear optical property of graphene oxide in femtosecond regime

NASA Astrophysics Data System (ADS)

Bhattacharya, S.; Maiti, R.; Saha, S.; Das, A. C.; Mondal, S.; Ray, S. K.; Bhaktha, S. B. N.; Datta, P. K.

2016-04-01

Graphene Oxide (GO) has been prepared by modified Hummers method and it has been reduced using an IR bulb (800-2000 nm). Both as grown GO and reduced graphene oxide (RGO) have been characterized using Raman spectroscopy and X-ray photoelectron spectroscopy (XPS). Raman spectra shows well documented Dband and G-band for both the samples while blue shift of G-band confirms chemical functionalization of graphene with different oxygen functional group. The XPS result shows that the as-prepared GO contains 52% of sp2 hybridized carbon due to the C=C bonds and 33% of carbon atoms due to the C-O bonds. As for RGO, increment of the atomic % of the sp2 hybridized carbon atom to 83% and rapid decrease in atomic % of C=O bonds confirm an efficient reduction with infrared radiation. UV-Visible absorption spectrum also confirms increment of conjugation with increased reduction. Non-linear optical properties of both GO and RGO are measured using single beam open aperture Z-Scan technique in femtosecond regime. Intensity dependent nonlinear phenomena are observed. Depending upon the intensity, both saturable absorption and two photon absorption contribute to the non-linearity of both the samples. Saturation dominates at low intensity (~ 127 GW/cm2) while two photon absorption become prominent at higher intensities (from 217 GW/cm2 to 302 GW/cm2). We have calculated the two-photon absorption co-efficient and saturation intensity for both the samples. The value of two photon absorption co-efficient (for GO~ 0.0022-0.0037 cm/GW and for RGO~ 0.0128-0.0143 cm/GW) and the saturation intensity (for GO~57 GW/cm2 and for RGO~ 194GW/cm2) is increased with reduction. Increase in two photon absorption coefficient with increasing intensity can also suggest that there may be multi-photon absorption is taking place.

A model analysis of arterial oxygen desaturation during apnea in preterm infants.

PubMed

Sands, Scott A; Edwards, Bradley A; Kelly, Vanessa J; Davidson, Malcolm R; Wilkinson, Malcolm H; Berger, Philip J

2009-12-01

Rapid arterial O(2) desaturation during apnea in the preterm infant has obvious clinical implications but to date no adequate explanation for why it exists. Understanding the factors influencing the rate of arterial O(2) desaturation during apnea (Sa(O)₂) is complicated by the non-linear O(2) dissociation curve, falling pulmonary O(2) uptake, and by the fact that O(2) desaturation is biphasic, exhibiting a rapid phase (stage 1) followed by a slower phase when severe desaturation develops (stage 2). Using a mathematical model incorporating pulmonary uptake dynamics, we found that elevated metabolic O(2) consumption accelerates Sa(O)₂throughout the entire desaturation process. By contrast, the remaining factors have a restricted temporal influence: low pre-apneic alveolar P(O)₂causes an early onset of desaturation, but thereafter has little impact; reduced lung volume, hemoglobin content or cardiac output, accelerates Sa(O)₂during stage 1, and finally, total blood O(2) capacity (blood volume and hemoglobin content) alone determines Sa(O)₂during stage 2. Preterm infants with elevated metabolic rate, respiratory depression, low lung volume, impaired cardiac reserve, anemia, or hypovolemia, are at risk for rapid and profound apneic hypoxemia. Our insights provide a basic physiological framework that may guide clinical interpretation and design of interventions for preventing sudden apneic hypoxemia.

Non-linear thermal evolution of the crystal structure and phase transitions of LaFeO{sub 3} investigated by high temperature X-ray diffraction

DOE Office of Scientific and Technical Information (OSTI.GOV)

Selbach, Sverre M.; Tolchard, Julian R.; Fossdal, Anita

2012-12-15

The crystal structure, anisotropic thermal expansion and structural phase transition of the perovskite LaFeO{sub 3} has been studied by high-temperature X-ray diffraction from room temperature to 1533 K. The structural evolution of the orthorhombic phase with space group Pbnm and the rhombohedral phase with R3{sup Macron }c structure of LaFeO{sub 3} is reported in terms of lattice parameters, thermal expansion coefficients, atomic positions, octahedral rotations and polyhedral volumes. Non-linear lattice expansion across the antiferromagnetic to paramagnetic transition of LaFeO{sub 3} at T{sub N}=735 K was compared to the corresponding behavior of the ferroelectric antiferromagnet BiFeO{sub 3} to gain insight tomore » the magnetoelectric coupling in BiFeO{sub 3}, which is also multiferroic. The first order phase transition of LaFeO{sub 3} from Pbnm to R3{sup Macron }c was observed at 1228{+-}9 K, and a subsequent transition to Pm3{sup Macron }m was extrapolated to occur at 2140{+-}30 K. The stability of the Pbnm and R3{sup Macron }c polymorphs of LaFeO{sub 3} is discussed in terms of the competing enthalpy and entropy of the two crystal polymorphs and the thermal evolution of the polyhedral volume ratio V{sub A}/V{sub B}. - Graphical abstract: Aniostropic thermal evolution of the lattice parameters and phase transition of LaFeO{sub 3}. Highlights: Black-Right-Pointing-Pointer The crystal structure of LaFeO{sub 3} is studied by HTXRD from RT to 1533 K. Black-Right-Pointing-Pointer A non-linear expansion across the Neel temperature is observed for LaFeO{sub 3}. Black-Right-Pointing-Pointer The ratio V{sub A}/V{sub B} is used to rationalize the thermal evolution of the structure.« less

Modeling of ultrasonic degradation of non-volatile organic compounds by Langmuir-type kinetics.

PubMed

Chiha, Mahdi; Merouani, Slimane; Hamdaoui, Oualid; Baup, Stéphane; Gondrexon, Nicolas; Pétrier, Christian

2010-06-01

Sonochemical degradation of phenol (Ph), 4-isopropylphenol (4-IPP) and Rhodamine B (RhB) in aqueous solutions was investigated for a large range of initial concentrations in order to analyze the reaction kinetics. The initial rates of substrate degradation and H(2)O(2) formation as a function of initial concentrations were determined. The obtained results show that the degradation rate increases with increasing initial substrate concentration up to a plateau and that the sonolytic destruction occurs mainly through reactions with hydroxyl radicals in the interfacial region of cavitation bubbles. The rate of H(2)O(2) formation decreases with increasing substrate concentration and reaches a minimum, followed by almost constant production rate for higher substrate concentrations. Sonolytic degradation data were analyzed by the models of Okitsu et al. [K. Okitsu, K. Iwasaki, Y. Yobiko, H. Bandow, R. Nishimura, Y. Maeda, Sonochemical degradation of azo dyes in aqueous solution: a new heterogeneous kinetics model taking into account the local concentration OH radicals and azo dyes, Ultrason. Sonochem. 12 (2005) 255-262.] and Seprone et al. [N. Serpone, R. Terzian, H. Hidaka, E. Pelizzetti, Ultrasonic induced dehalogenation and oxidation of 2-, 3-, and 4-chlorophenol in air-equilibrated aqueous media. Similarities with irradiated semiconductor particulates, J. Phys. Chem. 98 (1994) 2634-2640.] developed on the basis of a Langmuir-type mechanism. The five linearized forms of the Okitsu et al.'s equation as well as the non-linear curve fitting analysis method were discussed. Results show that it is not appropriate to use the coefficient of determination of the linear regression method for comparing the best-fitting. Among the five linear expressions of the Okitsu et al.'s kinetic model, form-2 expression very well represent the degradation data for Ph and 4-IPP. Non-linear curve fitting analysis method was found to be the more appropriate method to determine the model parameters. An excellent representation of the experimental results of sonolytic destruction of RhB was obtained using the Serpone et al.'s model. The Serpone et al.'s model gives a worse fit for the sonolytic degradation data of Ph and 4-IPP. These results indicate that Ph and 4-IPP undergo degradation predominantly at the bubble/solution interface, whereas RhB undergoes degradation at both bubble/solution interface and in the bulk solution. (c) 2010 Elsevier B.V. All rights reserved.

Electron paramagnetic resonance spectra of CdO-Al2O3-Bi2O3-B2O3 quaternary glasses containing VO2+ ions

NASA Astrophysics Data System (ADS)

Lalithaphani, A. V.; Srinivas, B.; Hameed, Abdul; Chary, M. Narasimha; Shareefuddin, Md.

2018-04-01

Borate glasses containing different concentrations of heavy metal oxide (CdO) with 2mol% of V2O5 as the paramagnetic probe were prepared by the conventional melt quenching technique. The prepared glasses were characterized by XRD to confirm the amorphous nature. EPR and Optical absorption studies were carried out at room temperature. EPR spectra of these glass samples were recorded at X-band frequency with 100 kHz field modulation at room temperature. From the EPR spectra the spin-Hamiltonian parameters were evaluated. The spin-Hamiltonian parameter values indicated that g|| < g┴ < ge [=2.0023] and A∥︀ > A┴. This suggests that VO2+ ions are present in octahedral sites with tetragonal compression and belong to C4v symmetry with dxy being the ground state. The measure of tetragonal distortion (Δg∥︀/Δg┴)varies non-linearly with glass composition indicating change in tetragonal distortion. The covalency rates were estimated. The number of spins participating in the resonance [N] and susceptibility (χ) values were also evaluated.

QED loop effects in the spacetime background of a Schwarzschild black hole

NASA Astrophysics Data System (ADS)

Emelyanov, Viacheslav A.

2017-12-01

The black-hole evaporation implies that the quantum-field propagators in a local Minkowski frame acquire a correction, which gives rise to this process. The modification of the propagators causes, in turn, non-trivial local effects due to the radiative/loop diagrams in non-linear QFTs. In particular, there should be imprints of the evaporation in QED, if one goes beyond the tree-level approximation. Of special interest in this respect is the region near the black-hole horizon, which, already at tree level, appears to show highly non-classical features, e.g., negative energy density and energy flux into the black hole.

Fecal shedding of non-O157 serogroups of Shiga toxin-producing Escherichia coli in feedlot cattle vaccinated with an Escherichia coli O157:H7 SRP vaccine or fed a Lactobacillus-based direct-fed microbial.

PubMed

Cernicchiaro, N; Renter, D G; Cull, C A; Paddock, Z D; Shi, X; Nagaraja, T G

2014-05-01

The objectives of this study were to determine whether fecal shedding of non-O157 Shiga toxin-producing Escherichia coli (STEC) in feedlot cattle was affected by the use of an E. coli O157:H7 vaccine or a direct-fed microbial (DFM) and whether the shedding of a particular non-O157 STEC serogroup within feces was associated with shedding of O157 or other non-O157 STEC serogroups. A total of 17,148 cattle in 40 pens were randomized to receive one, both, or neither (control) of the two interventions: a vaccine based on the siderophore receptor and porin proteins (E. coli SRP vaccine, two doses) and a DFM product (low-dose Bovamine). Fresh fecal samples (30 samples per pen) were collected weekly from pen floors for four consecutive weeks beginning approximately 56 days after study allocation. DNA extracted from enriched samples was tested for STEC O157 and non-O157 serogroups O26, O45, O103, O111, O121, and O145 and for four major virulence genes (stx1, stx2, eae, and ehxA) using an 11-gene multiplex PCR assay. Generalized linear mixed models were used to analyze the effects of treatments and make within-sample comparisons of the presence of O-serogroup-specific genes. Results of cumulative prevalence measures indicated that O157 (14.6%), O26 (10.5%), and O103 (10.3%) were the most prevalent STEC O serogroups. However, the vaccine, DFM, or both had no significant effect (P > 0.05) on fecal prevalence of the six non-O157 STEC serogroups in feedlot cattle. Within-sample comparisons of the presence of STEC serogroup-specific genes indicated that fecal shedding of E. coli O157 in cattle was associated with an increased probability (P < 0.05) of fecal shedding of STEC O26, O45, O103, and O121. Our study revealed that neither the E. coli O157:H7 vaccine, which reduced STEC O157 fecal shedding, nor the DFM significantly affected fecal shedding of non-O157 STEC serogroups, despite the fact that the most prevalent non-O157 STEC serogroups tended to occur concurrently with O157 STEC strains within fecal samples.

Oriented and ordered mesoporous ZrO{sub 2}/TiO{sub 2} fibers with well-organized linear and spring structure

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhu, Luyi, E-mail: zhuly@sdu.edu.cn; Liu, Benxue; Qin, Weiwei, E-mail: jiuyuan.1001@163.com

Graphical abstract: The ultra-stable order mesoporous ZrO{sub 2}/TiO{sub 2} fibers with well-organized linear and spring structure and large surface area under higher temperatures were prepared by a simple EISA process. - Highlights: • The ZrO{sub 2}/TiO{sub 2} fibers were prepared by EISA process combined with steam heat-treatment. • The mesoporous ZrO{sub 2}/TiO{sub 2} fibers have well-organized linear and spring structure. • The fibers were composed of oval rod nanocrystals of ZrTiO{sub 4}. - Abstract: The ultra-stable order mesoporous ZrO{sub 2}/TiO{sub 2} fibers with well-organized linear and spring structure and large surface areas under higher temperatures were prepared by a (simplemore » evaporation-induced assembly) EISA process. The preparation, microstructures and formation processes were characterized by Fourier transformation infrared (FTIR), X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM) and N{sub 2} adsorption–absorption measurements. The fibers take on pinstripe configuration which is very orderly along or perpendicular to the axial direction of the fibers. The diameters of the pinstripe are in the region of 200–400 nm and arranges regularly, which are composed of oval rod nanocrystals of ZrTiO{sub 4}.« less

New Pb(Mg1/3Nb2/3)O3-Pb(In1/2Nb1/2)O3-PbZrO3-PbTiO3 Quaternary Ceramics: Morphotropic Phase Boundary Design and Electrical Properties.

PubMed

Luo, Nengneng; Zhang, Shujun; Li, Qiang; Xu, Chao; Yang, Zhanlue; Yan, Qingfeng; Zhang, Yiling; Shrout, Thomas R

2016-06-22

Four series of Pb(Mg1/3Nb2/3)O3-Pb(In1/2Nb1/2)O3-PbZrO3-PbTiO3 (PMN-PIN-PZ-PT) quaternary ceramics with compositions located at the morphotropic phase boundary (MPB) regions were prepared. The MPBs of the multicomponent system were predicted using a linear combination rule and experimentally confirmed by X-ray powder diffraction and electrical measurement. The positions of MPBs in multicomponent systems were found in linear correlation with the tolerance factor and ionic radii of non-PT end-members. The phase structure, piezoelectric coefficient, electromechanical coupling coefficient, unipolar strains, and dielectric properties of as-prepared ceramics were systematically investigated. The largest d33s were obtained at S36.8, L37.4, M39.6, and N35.8, with the corresponding values of 580, 450, 420, and 530 pC/N, respectively, while the largest kps were found at S34.8, L37.4, M39.6, and N35.8, with the respective values of 0.54, 0.50, 0.47, and 0.53. The largest unipolar strain Smax and high-field piezoelectric strain coefficients d33* were also observed around the respective MPB regions. The rhombohedral-to-tetragonal phase transition temperature Trt increased with increasing PIN and PZ contents. Of particular importance is that high Trt of 140-197 °C was achieved in the M series with PZ and PIN contents being around 0.208 and 0.158, which will broaden the temperature usage range.

Multidimensional radiative transfer with multilevel atoms. II. The non-linear multigrid method.

NASA Astrophysics Data System (ADS)

Fabiani Bendicho, P.; Trujillo Bueno, J.; Auer, L.

1997-08-01

A new iterative method for solving non-LTE multilevel radiative transfer (RT) problems in 1D, 2D or 3D geometries is presented. The scheme obtains the self-consistent solution of the kinetic and RT equations at the cost of only a few (<10) formal solutions of the RT equation. It combines, for the first time, non-linear multigrid iteration (Brandt, 1977, Math. Comp. 31, 333; Hackbush, 1985, Multi-Grid Methods and Applications, springer-Verlag, Berlin), an efficient multilevel RT scheme based on Gauss-Seidel iterations (cf. Trujillo Bueno & Fabiani Bendicho, 1995ApJ...455..646T), and accurate short-characteristics formal solution techniques. By combining a valid stopping criterion with a nested-grid strategy a converged solution with the desired true error is automatically guaranteed. Contrary to the current operator splitting methods the very high convergence speed of the new RT method does not deteriorate when the grid spatial resolution is increased. With this non-linear multigrid method non-LTE problems discretized on N grid points are solved in O(N) operations. The nested multigrid RT method presented here is, thus, particularly attractive in complicated multilevel transfer problems where small grid-sizes are required. The properties of the method are analyzed both analytically and with illustrative multilevel calculations for Ca II in 1D and 2D schematic model atmospheres.

Optimal space of linear classical observables for Maxwell k-forms via spacelike and timelike compact de Rham cohomologies

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benini, Marco, E-mail: mbenini87@gmail.com, E-mail: mbenini@uni-potsdam.de

Being motivated by open questions in gauge field theories, we consider non-standard de Rham cohomology groups for timelike compact and spacelike compact support systems. These cohomology groups are shown to be isomorphic respectively to the usual de Rham cohomology of a spacelike Cauchy surface and its counterpart with compact support. Furthermore, an analog of the usual Poincaré duality for de Rham cohomology is shown to hold for the case with non-standard supports as well. We apply these results to find optimal spaces of linear observables for analogs of arbitrary degree k of both the vector potential and the Faraday tensor.more » The term optimal has to be intended in the following sense: The spaces of linear observables we consider distinguish between different configurations; in addition to that, there are no redundant observables. This last point in particular heavily relies on the analog of Poincaré duality for the new cohomology groups.« less

Mixed effect Poisson log-linear models for clinical and epidemiological sleep hypnogram data

PubMed Central

Swihart, Bruce J.; Caffo, Brian S.; Crainiceanu, Ciprian; Punjabi, Naresh M.

2013-01-01

Bayesian Poisson log-linear multilevel models scalable to epidemiological studies are proposed to investigate population variability in sleep state transition rates. Hierarchical random effects are used to account for pairings of subjects and repeated measures within those subjects, as comparing diseased to non-diseased subjects while minimizing bias is of importance. Essentially, non-parametric piecewise constant hazards are estimated and smoothed, allowing for time-varying covariates and segment of the night comparisons. The Bayesian Poisson regression is justified through a re-derivation of a classical algebraic likelihood equivalence of Poisson regression with a log(time) offset and survival regression assuming exponentially distributed survival times. Such re-derivation allows synthesis of two methods currently used to analyze sleep transition phenomena: stratified multi-state proportional hazards models and log-linear models with GEE for transition counts. An example data set from the Sleep Heart Health Study is analyzed. Supplementary material includes the analyzed data set as well as the code for a reproducible analysis. PMID:22241689

Investigations of the local distortions and EPR parameters for Cu2+ in xNa2 O-(30-x)K2 O-70B2 O3 (5 ≤ x ≤ 25 mol%) glasses.

PubMed

Zhang, Zhen-Ya; Wu, Shao-Yi; Zhang, Fu; Zhang, Cheng-Xi; Qin, Rui-Jie; Gao, Han

2018-03-01

The local distortions and electron paramagnetic resonance parameters for Cu 2+ in the mixed alkali borate glasses xNa 2 O-(30-x)K 2 O-70B 2 O 3 (5 ≤ x ≤ 25 mol%) are theoretically studied with distinct modifier Na 2 O compositions x. Owing to the Jahn-Teller effect, the octahedral [CuO 6 ] 10- clusters show significant tetragonal elongation ratios p ~19% along the C 4 axis. With the increase of composition x, the cubic field parameter Dq and the orbital reduction factor k exhibit linearly and quasi-linearly decreasing tendencies, respectively, whereas the relative tetragonal elongation ratio p has quasi-linearly increasing rule with some fluctuations, leading to the minima of g factors at x = 10 mol%. The composition dependences of the optical spectra and the electron paramagnetic resonance parameters are suitably reproduced by the linear or quasi-linear relationships of the relevant quantities (i.e., Dq, k, and p) with x. The above composition dependences are analyzed from mixed alkali effect, which brings forward the modifications of the local crystal-fields and the electronic cloud distribution around Cu 2+ with the variation of the composition of Na 2 O. Copyright © 2017 John Wiley & Sons, Ltd.

Fascinating functional properties of Mn:Gd2O3 nanocrystalline phosphor

NASA Astrophysics Data System (ADS)

Heiba, Zein K.; Imam, N. G.; Bakr Mohamed, Mohamed

2015-10-01

In the present work we through the light on some of the fascinating structural, magnetic and optical properties of Mn:Gd2O3 nanophosphor. Manganese substituted nanocrystalline Mn:Gd2O3 was prepared via a sol gel procedure. The prepared samples were characterized applying X-ray diffraction (XRD), infrared spectroscopy (IR), squid magnometer and photoluminance (PL). XRD and IR analysis revealed a single phase solid solution up to x = 0.2. The cation distribution of Mn and Gd between the crystallographically non-equivalent sites 8b and 24d of the space group Ia 3 bar is found to be preferentially for all samples. The lattice parameter decreases with composition x, accompanied with systematic variation in the r.m.s. microstrain < εL2 > 1 / 2 . The magnetic measurement showed negative values for curie paramagnetic temperatures, θ, which indicates an antiferromagnetic interaction between the magnetic ions in Mn:Gd2O3. PL spectra showed a series of emission lines in the room temperature fluorescence measurements under UV excitation (220 nm). The observed emission lines are stokes-shifted and the non-linearity optical phenomenon is confirmed. Further, the emission lines are slightly shifted with Mn concentration (x). The blue emission around (390-402) nm was appeared due to Mn doping. Because of its fascinating properties, Mn:Gd2O3 is recommended for fuel cells, photocatalytic, and biomedical applications.

V02 'overshoot' during moderate-intensity exercise in endurance-trained athletes: the influence of exercise modality.

PubMed

Kilding, Andrew E; Jones, Andrew M

2008-02-01

The purpose of this study was to investigate the influence of exercise modality on the 'overshoot' in V(O2) that has been reported following the onset of moderate-intensity (below the gas exchange threshold, GET) exercise in endurance athletes. Seven trained endurance cyclists and seven trained endurance runners completed six square-wave transitions to a work-rate or running speed requiring 80% of mode-specific GET during both cycle and treadmill running exercise. The kinetics of V(O2) was assessed using non-linear regression and any overshoot in V(O2) was quantified as the integrated volume (IV) of O(2) consumed above the steady-state requirement. During cycling, an overshoot in V(O2) was evident in all seven cyclists (IV = 136 +/- 41 ml) and in four runners (IV = 81 +/- 94 ml). During running, an overshoot in V(O2) was evident in four runners (IV = 72 +/- 61 ml) but no cyclists. These data challenge the notion that V(O2) always rises towards a steady-state with near-exponential kinetics in this exercise intensity domain. The greater incidence of the V(O2) overshoot during cycling (11/14 subjects) compared to running (4/14 subjects) indicates that the overshoot phenomenon is related to an interaction between high levels of aerobic fitness and exercise modality. We speculate that a transient loss in muscle efficiency as a consequence of a non-constant ATP requirement following the onset of constant-work-rate exercise or an initially excessive recruitment of motor units (relative to the work-rate) might contribute to the overshoot phenomenon.

Gaussian Curvature as an Identifier of Shell Rigidity

NASA Astrophysics Data System (ADS)

Harutyunyan, Davit

2017-11-01

In the paper we deal with shells with non-zero Gaussian curvature. We derive sharp Korn's first (linear geometric rigidity estimate) and second inequalities on that kind of shell for zero or periodic Dirichlet, Neumann, and Robin type boundary conditions. We prove that if the Gaussian curvature is positive, then the optimal constant in the first Korn inequality scales like h, and if the Gaussian curvature is negative, then the Korn constant scales like h 4/3, where h is the thickness of the shell. These results have a classical flavour in continuum mechanics, in particular shell theory. The Korn first inequalities are the linear version of the famous geometric rigidity estimate by Friesecke et al. for plates in Arch Ration Mech Anal 180(2):183-236, 2006 (where they show that the Korn constant in the nonlinear Korn's first inequality scales like h 2), extended to shells with nonzero curvature. We also recover the uniform Korn-Poincaré inequality proven for "boundary-less" shells by Lewicka and Müller in Annales de l'Institute Henri Poincare (C) Non Linear Anal 28(3):443-469, 2011 in the setting of our problem. The new estimates can also be applied to find the scaling law for the critical buckling load of the shell under in-plane loads as well as to derive energy scaling laws in the pre-buckled regime. The exponents 1 and 4/3 in the present work appear for the first time in any sharp geometric rigidity estimate.

Neural Networks and other Techniques for Fault Identification and Isolation of Aircraft Systems

NASA Technical Reports Server (NTRS)

Innocenti, M.; Napolitano, M.

2003-01-01

Fault identification, isolation, and accomodation have become critical issues in the overall performance of advanced aircraft systems. Neural Networks have shown to be a very attractive alternative to classic adaptation methods for identification and control of non-linear dynamic systems. The purpose of this paper is to show the improvements in neural network applications achievable through the use of learning algorithms more efficient than the classic Back-Propagation, and through the implementation of the neural schemes in parallel hardware. The results of the analysis of a scheme for Sensor Failure, Detection, Identification and Accommodation (SFDIA) using experimental flight data of a research aircraft model are presented. Conventional approaches to the problem are based on observers and Kalman Filters while more recent methods are based on neural approximators. The work described in this paper is based on the use of neural networks (NNs) as on-line learning non-linear approximators. The performances of two different neural architectures were compared. The first architecture is based on a Multi Layer Perceptron (MLP) NN trained with the Extended Back Propagation algorithm (EBPA). The second architecture is based on a Radial Basis Function (RBF) NN trained with the Extended-MRAN (EMRAN) algorithms. In addition, alternative methods for communications links fault detection and accomodation are presented, relative to multiple unmanned aircraft applications.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mukherjee, Rupam; Huang, Zhi-Feng; Nadgorny, Boris

Multiple percolation transitions are observed in a binary system of RuO{sub 2}-CaCu{sub 3}Ti{sub 4}O{sub 12} metal-semiconductor nanoparticle composites near percolation thresholds. Apart from a classical percolation transition, associated with the appearance of a continuous conductance path through RuO{sub 2} metal oxide nanoparticles, at least two additional tunneling percolation transitions are detected in this composite system. Such behavior is consistent with the recently emerged picture of a quantum conductivity staircase, which predicts several percolation tunneling thresholds in a system with a hierarchy of local tunneling conductance, due to various degrees of proximity of adjacent conducting particles distributed in an insulating matrix.more » Here, we investigate a different type of percolation tunneling staircase, associated with a more complex conductive and insulating particle microstructure of two types of non-spherical constituents. As tunneling is strongly temperature dependent, we use variable temperature measurements to emphasize the hierarchical nature of consecutive tunneling transitions. The critical exponents corresponding to specific tunneling percolation thresholds are found to be nonuniversal and temperature dependent.« less

Synthesis, crystal structure and interaction of L-valine Schiff base divanadium(V) complex containing a V2O3 core with DNA and BSA.

PubMed

Guo, Qiong; Li, Lianzhi; Dong, Jianfang; Liu, Hongyan; Xu, Tao; Li, Jinghong

2013-04-01

A divanadium(V) complex, [V2O3(o-van-val)2] (o-van-val=Schiff base derived from o-vanillin and L-valine), has been synthesized and structurally characterized. The crystal structure shows that both of the vanadium centers in the complex have a distorted octahedral coordination environment composed of tridentate Schiff base ligand. A V2O3 core in molecular structure adopts intermediate between cis and trans configuration with the O1V1⋯V1AO1A torsion angle 115.22 (28)° and the V1⋯V1A distance 3.455Å. The binding properties of the complex with calf thymus DNA (CT-DNA) have been investigated by UV-vis absorption, fluorescence, CD spectra and viscosity measurement. The results indicate that the complex binds to CT-DNA in non-classical intercalative mode. Meanwhile, the interaction of the complex with bovine serum albumin (BSA) has been studied by UV-vis absorption, fluorescence and CD spectra. Results indicated that the complex can markedly quench the intrinsic fluorescence of BSA via a static quenching process, and cause its conformational change. The calculated apparent binding constant Kb was 1.05×10(6)M(-1) and the binding site number n was 1.18. Copyright © 2013 Elsevier B.V. All rights reserved.

Density-dependent host choice by disease vectors: epidemiological implications of the ideal free distribution.

PubMed

Basáñez, María-Gloria; Razali, Karina; Renz, Alfons; Kelly, David

2007-03-01

The proportion of vector blood meals taken on humans (the human blood index, h) appears as a squared term in classical expressions of the basic reproduction ratio (R(0)) for vector-borne infections. Consequently, R(0) varies non-linearly with h. Estimates of h, however, constitute mere snapshots of a parameter that is predicted, from evolutionary theory, to vary with vector and host abundance. We test this prediction using a population dynamics model of river blindness assuming that, before initiation of vector control or chemotherapy, recorded measures of vector density and human infection accurately represent endemic equilibrium. We obtain values of h that satisfy the condition that the effective reproduction ratio (R(e)) must equal 1 at equilibrium. Values of h thus obtained decrease with vector density, decrease with the vector:human ratio and make R(0) respond non-linearly rather than increase linearly with vector density. We conclude that if vectors are less able to obtain human blood meals as their density increases, antivectorial measures may not lead to proportional reductions in R(0) until very low vector levels are achieved. Density dependence in the contact rate of infectious diseases transmitted by insects may be an important non-linear process with implications for their epidemiology and control.

Photoinduced second-order optical susceptibilities of Er 2O 3 doped TeO 2-GeO 2-PbO glasses

NASA Astrophysics Data System (ADS)

Kassab, L. R. P.; Pinto, R. de A.; Kobayashi, R. A.; Piasecki, M.; Bragiel, P.; Kityk, I. V.

2007-06-01

Second-order optical susceptibilities were established in the optically poled erbium doped tellurite glasses near the melting temperature. The non-linear optical susceptibility was formed by bicolor coherent optical treatment performed by two coherent laser beams originated from 50 ps Nd-YAG laser ( λ = 1.32 μm) exciting the high pressure hydrogen laser cell emitting at 1907 nm. The non-centrosymmetric grating of the medium was created by coherent superposition of the fundamental laser illumination at 1907 nm and the doubled frequency one at 953.5 nm. The maximally all-optically poled SHG occurs for 2% doped Er 2O 3 (in weighting units) TeO 2-GeO 2-PbO glass. It was found that the photoinduced SHG demonstrates a saturation during the photo-treatment of 9-10 min using the two beams polarized at angle about 45° between them. During the coherent bicolor optical treatment it was achieved the value of second-order susceptibility up to 3.6 pm/V at 1907 nm. The optimal ratio between the fundamental beam with power density about 1.1 GW/cm 2 and writing doubled frequency seeding beam about 0.015 GW/cm 2 corresponds to the maximal of photoinduced SHG. For glasses with lower concentration of Er 2O 3, the relaxation of the second-order optical susceptibility is substantially longer and achieves SHG value that corresponds to 80% of the maximal ones. It is necessary to emphasize that efficient optically-poled grating exists only within the narrow temperature range near the glassing temperature. Possible physical mechanisms of the phenomenon observed are discussed. Generally the used glasses possess better parameters than early investigated germinate glasses.

Optical analysis and thermal management of 2-cell strings linear concentrating photovoltaic system

NASA Astrophysics Data System (ADS)

Reddy, K. S.; Kamnapure, Nikhilesh R.

2015-09-01

This paper presents the optical and thermal analyses for a linear concentrating photovoltaic/thermal collector under different operating conditions. Linear concentrating photovoltaic system (CPV) consists of a highly reflective mirror, a receiver and semi-dual axis tracking mechanism. The CPV receiver embodies two strings of triple-junction cells (100 cells in each string) adhered to a mild steel circular tube mounted at the focal length of trough. This system provides 560 W of electricity and 1580 W of heat which needs to be dissipated by active cooling. The Al2O3/Water nanofluid is used as heat transfer fluid (HTF) flowing through circular receiver for CPV cells cooling. Optical analysis of linear CPV system with 3.35 m2 aperture and geometric concentration ratio (CR) of 35 is carried out using Advanced System Analysis Program (ASAP) an optical simulation tool. Non-uniform intensity distribution model of solar disk is used to model the sun in ASAP. The impact of random errors including slope error (σslope), tracking error (σtrack) and apparent change in sun's width (σsun) on optical performance of collector is shown. The result from the optical simulations shows the optical efficiency (ηo) of 88.32% for 2-cell string CPV concentrator. Thermal analysis of CPV receiver is carried out with conjugate heat transfer modeling in ANSYS FLUENT-14. Numerical simulations of Al2O3/Water nanofluid turbulent forced convection are performed for various parameters such as nanoparticle volume fraction (φ), Reynolds number (Re). The addition of the nanoparticle in water enhances the heat transfer in the ranges of 3.28% - 35.6% for φ = 1% - 6%. Numerical results are compared with literature data which shows the reasonable agreement.

Photocatalytic treatment of pharmaceutical wastewater using new multiwall-carbon nanotubes/TiO{sub 2}/SiO{sub 2} nanocomposites

DOE Office of Scientific and Technical Information (OSTI.GOV)

Czech, Bożena, E-mail: bczech@hektor.umcs.lublin.pl; Buda, Waldemar

For the photocatalytic removal of bisphenol A (BPA) and carbamazepine (CBZ) from water solution a new multiwall-carbon nanotubes and TiO{sub 2}/SiO{sub 2} nanocomposites (MWCNT–TiO{sub 2}–SiO{sub 2}) were applied. Nanocomposites with the addition of 0.15–17.8 wt% MWCNT show high potential for the removal of both pollutants. The starting concentration of each contaminant was halved during 20 min of UVA irradiation. The decomposition process of CBZ over investigated nanocomposites proceeded differently than it was observed for the classical photocatalyst P25. The kinetics of the removal followed as a pseudo-first order regime with the k{sub 1} in range 0.0827–0.1751 min{sup −1} for BPA andmore » 0.0131–0.0743 min{sup −1} for CBZ. Toxicity to Vibrio fischeri and Daphnia magna was significantly reduced indicating formation of non-toxic products of photooxidation of tested contaminants. - Highlights: • MWCNT enhanced TiO{sub 2} activity in UVA and the removal of BPA and CBZ. • At least 50% PPCPs removal during 30 min of photocatalytic treatment was observed. • MWCNT changed the mechanism of CBZ decomposition but not BPA. • Decomposition products of both BPA and CBZ possessed low toxicity. • Photocatalysis may be recommended for the initial treatment of pharmaceutical wastewater.« less

The 1600 Å Emission Bump in Protoplanetary Disks: A Spectral Signature of H{sub 2}O Dissociation

DOE Office of Scientific and Technical Information (OSTI.GOV)

France, Kevin; Roueff, Evelyne; Abgrall, Hervé, E-mail: kevin.france@colorado.edu

The FUV continuum spectrum of many accreting pre-main sequence stars, Classical T Tauri Stars (CTTSs), does not continue smoothly from the well-studied Balmer continuum emission in the NUV, suggesting that additional processes contribute to the short-wavelength emission in these objects. The most notable spectral feature in the FUV continuum of some CTTSs is a broad emission approximately centered at 1600 Å, which has been referred to as the “1600 Å Bump.” The origin of this feature remains unclear. In an effort to better understand the molecular properties of planet-forming disks and the UV spectral properties of accreting protostars, we havemore » assembled archival FUV spectra of 37 disk-hosting systems observed by the Hubble Space Telescope -Cosmic Origins Spectrograph. Clear 1600 Å Bump emission is observed above the smooth, underlying 1100–1800 Å continuum spectrum in 19/37 Classical T Tauri disks in the HST -COS sample, with the detection rate in transition disks (8/8) being much higher than that in primordial or non-transition sources (11/29). We describe a spectral deconvolution analysis to separate the Bump (spanning 1490–1690 Å) from the underlying FUV continuum, finding an average Bump luminosity L (Bump) ≈ 7 × 10{sup 29} erg s{sup −1}. Parameterizing the Bump with a combination of Gaussian and polynomial components, we find that the 1600 Å Bump is characterized by a peak wavelength λ {sub o} = 1598.6 ± 3.3 Å, with FWHM = 35.8 ± 19.1 Å. Contrary to previous studies, we find that this feature is inconsistent with models of H{sub 2} excited by electron -impact. We show that this Bump makes up between 5%–50% of the total FUV continuum emission in the 1490–1690 Å band and emits roughly 10%–80% of the total fluorescent H{sub 2} luminosity for stars with well-defined Bump features. Energetically, this suggests that the carrier of the 1600 Å Bump emission is powered by Ly α photons. We argue that the most likely mechanism is Ly α -driven dissociation of H{sub 2}O in the inner disk, r ≲ 2 au. We demonstrate that non-thermally populated H{sub 2}O fragments can qualitatively account for the observed emission (discrete and continuum) and find that the average Ly α -driven H{sub 2}O dissociation rate is 1.7 × 10{sup 42} water molecules s{sup −1}.« less

Quantum interference of highly-dispersive surface plasmons (Conference Presentation)

NASA Astrophysics Data System (ADS)

Tokpanov, Yury S.; Fakonas, James S.; Atwater, Harry A.

2016-09-01

Previous experiments have shown that surface plasmon polaritons (SPPs) preserve their entangled state and do not cause measurable decoherence. However, essentially all of them were done using SPPs whose dispersion was in the linear "photon-like" regime. We report in this presentation on experiments showing how transition to "true-plasmon" non-linear dispersion regime, which occurs near SPP resonance frequency, will affect quantum coherent properties of light. To generate a polarization-entangled state we utilize type-I parametric down-conversion, occurring in a pair of non-linear crystals (BiBO), glued together and rotated by 90 degrees with respect to each other. For state projection measurements, we use a pair of polarizers and single-photon avalanche diode coincidence count detectors. We interpose a plasmonic hole array in the path of down-converted light before the polarizer. Without the hole array, we measure visibility V=99-100% and Bell's number S=2.81±0.03. To study geometrical effects we fabricated plasmonic hole arrays (gold on optically polished glass) with elliptical holes (axes are 190nm and 240nm) using focused ion beam. When we put this sample in our system we measured the reduction of visibility V=86±5% using entangled light. However, measurement using classical light gave exactly the same visibility; hence, this reduction is caused only by the difference in transmission coefficients of different polarizations. As samples with non-linear dispersion we fabricated two-layer (a-Si - Au) and three-layer (a-Si - Au - a-Si) structures on optically polished glass with different pitches and circular holes. The results of measurements with these samples will be discussed along with the theoretical investigations.

Algebraic-geometry approach to integrability of birational plane mappings. Integrable birational quadratic reversible mappings. I

NASA Astrophysics Data System (ADS)

Rerikh, K. V.

1998-02-01

Using classic results of algebraic geometry for birational plane mappings in plane CP 2 we present a general approach to algebraic integrability of autonomous dynamical systems in C 2 with discrete time and systems of two autonomous functional equations for meromorphic functions in one complex variable defined by birational maps in C 2. General theorems defining the invariant curves, the dynamics of a birational mapping and a general theorem about necessary and sufficient conditions for integrability of birational plane mappings are proved on the basis of a new idea — a decomposition of the orbit set of indeterminacy points of direct maps relative to the action of the inverse mappings. A general method of generating integrable mappings and their rational integrals (invariants) I is proposed. Numerical characteristics Nk of intersections of the orbits Φn- kOi of fundamental or indeterminacy points Oi ɛ O ∩ S, of mapping Φn, where O = { O i} is the set of indeterminacy points of Φn and S is a similar set for invariant I, with the corresponding set O' ∩ S, where O' = { O' i} is the set of indeterminacy points of inverse mapping Φn-1, are introduced. Using the method proposed we obtain all nine integrable multiparameter quadratic birational reversible mappings with the zero fixed point and linear projective symmetry S = CΛC-1, Λ = diag(±1), with rational invariants generated by invariant straight lines and conics. The relations of numbers Nk with such numerical characteristics of discrete dynamical systems as the Arnold complexity and their integrability are established for the integrable mappings obtained. The Arnold complexities of integrable mappings obtained are determined. The main results are presented in Theorems 2-5, in Tables 1 and 2, and in Appendix A.

Quantum and classical properties of soliton propagation in optical fibers

NASA Astrophysics Data System (ADS)

Krylov, Dmitriy

2001-05-01

Quantum and classical aspects of nonlinear optical pulse propagation in optical fibers are studied with the emphasis on temporal solitons. The theoretical and experimental investigation focuses on phenomena that can fundamentally limit transmission and detection of optical signals in fiber-optic communication systems that employ solitons. In transmission experiments the first evidence is presented that a pre-chirped high-order soliton pulse propagating in a low anomalous dispersion optical fiber will irreversibly break up into an ordered train of fundamental (N = 1) solitons. The experimental results confirm previous analytical predictions and show excellent agreement with numerical simulations. This phenomenon presents a fundamental limitation on systems that utilize dispersion-management or pre-chirping of optical pulses, and has to be taken into consideration when designing such systems. The experiments also show that the breakup process can be repeated by cascading two independent breakup stages. Each stage accepts a single input pulse and produces two independent pulses. The stages are cascaded to produce a one-to-four breakup. Solitons are also shown to be ideally suited for investigating non-classical properties of light. Based on the general quantum theory of optical pulse propagation, a new scheme for generating amplitude-squeezed solitons is designed and implemented in a highly asymmetric fiber Sagnac interferometer. A record reduction of 5.7dB (73%) and, with correction for linear losses, 7.0dB (81%) in photon-number fluctuations below the shot-noise level is measured by direct detection. The same scheme is also shown to generate significant classical noise reduction and is limited by Raman effects in fiber. Such large squeezing levels can be employed in practical fiber optic communication systems to achieve noiseless amplification and better signal to noise ratios in direct detection. The photon number states can also be used in quantum non- demolition measurements and quantum communications. Amplitude squeezing is shown to be present in the normal- dispersion regime where no soliton formation is possible. In this case, a noise reduction of 1.7dB (33%) and, with correction for linear losses, 2.5dB (47%) below the shot- noise level is measured. The dependence of noise behavior on dispersion is investigated both experimentally and theoretically.

Study of electrical conductivity and memory switching in the zinc-vanadium-phosphate glasses

NASA Astrophysics Data System (ADS)

Mirzayi, M.; Hekmatshoar, M. H.

2013-07-01

Vanadium zinc phosphate glasses were prepared by the conventional melt quenching technique and effect of V2O5 concentration on d.c. conductivity of prepared samples were investigated. X-ray diffraction patterns confirmed the glassy character of the samples. The d.c. conductivity increased with increase in V2O5 content. Results showed that activation energy has a single value in the investigated range of temperature, which can be explained in accordance with Mott small pollaron hopping model. I-V characteristics at high electric field showed that switching in these glasses was memory type. The threshold field of switching was found to decrease with increase in V2O5 content. Non-linear behavior and switching phenomenon was explained by Pool-Frenkel effect and thermal model.

A fictitious domain approach for the simulation of dense suspensions

NASA Astrophysics Data System (ADS)

Gallier, Stany; Lemaire, Elisabeth; Lobry, Laurent; Peters, François

2014-01-01

Low Reynolds number concentrated suspensions do exhibit an intricate physics which can be partly unraveled by the use of numerical simulation. To this end, a Lagrange multiplier-free fictitious domain approach is described in this work. Unlike some methods recently proposed, the present approach is fully Eulerian and therefore does not need any transfer between the Eulerian background grid and some Lagrangian nodes attached to particles. Lubrication forces between particles play an important role in the suspension rheology and have been properly accounted for in the model. A robust and effective lubrication scheme is outlined which consists in transposing the classical approach used in Stokesian Dynamics to our present direct numerical simulation. This lubrication model has also been adapted to account for solid boundaries such as walls. Contact forces between particles are modeled using a classical Discrete Element Method (DEM), a widely used method in granular matter physics. Comprehensive validations are presented on various one-particle, two-particle or three-particle configurations in a linear shear flow as well as some O(103) and O(104) particle simulations.

A non-enzymatic sensor for hydrogen peroxide based on polyaniline, multiwalled carbon nanotubes and gold nanoparticles modified Au electrode.

PubMed

Narang, Jagriti; Chauhan, Nidhi; Pundir, C S

2011-11-07

We describe the construction of a polyaniline (PANI), multiwalled carbon nanotubes (MWCNTs) and gold nanoparticles (AuNPs) modified Au electrode for determination of hydrogen peroxide without using peroxidase (HRP). The AuNPs/MWCNT/PANI composite film deposited on Au electrode was characterized by Scanning Electron Microscopy (SEM) and electrochemical methods. Cyclic voltammetric (CV) studies of the electrode at different stages of construction demonstrated that the modified electrode had enhanced electrochemical oxidation of H(2)O(2), which offers a number of attractive features to develop amperometric sensors based on split of H(2)O(2). The amperometric response to H(2)O(2) showed a linear relationship in the range from 3.0 μM to 600.0 μM with a detection limit of 0.3 μM (S/N = 3) and with high sensitivity of 3.3 mA μM(-1). The sensor gave accurate and satisfactory results, when employed for determination of H(2)O(2) in milk and urine.

Eight supramolecular assemblies constructed from bis(benzimidazole) and organic acids through strong classical hydrogen bonding and weak noncovalent interactions

NASA Astrophysics Data System (ADS)

Jin, Shouwen; Wang, Daqi

2014-05-01

Eight crystalline organic acid-base adducts derived from alkane bridged bis(N-benzimidazole) and organic acids (2,4,6-trinitrophenol, p-nitrobenzoic acid, m-nitrobenzoic acid, 3,5-dinitrobenzoic acid, 5-sulfosalicylic acid and oxalic acid) were prepared and characterized by X-ray diffraction analysis, IR, mp, and elemental analysis. Of the eight compounds five are organic salts (1, 4, 6, 7 and 8) and the other three (2, 3, and 5) are cocrystals. In all of the adducts except 1 and 8, the ratio of the acid and the base is 2:1. All eight supramolecular assemblies involve extensive intermolecular classical hydrogen bonds as well as other noncovalent interactions. The role of weak and strong noncovalent interactions in the crystal packing is ascertained. These weak interactions combined, all the complexes displayed 3D framework structure. The results presented herein indicate that the strength and directionality of the classical N+-H⋯O-, O-H⋯O, and O-H⋯N hydrogen bonds (ionic or neutral) and other nonbonding associations between acids and ditopic benzimidazoles are sufficient to bring about the formation of cocrystals or organic salts.

A large response range reflectometric urea biosensor made from silica-gel nanoparticles.

PubMed

Alqasaimeh, Muawia; Heng, Lee Yook; Ahmad, Musa; Raj, A S Santhana; Ling, Tan Ling

2014-07-22

A new silica-gel nanospheres (SiO2NPs) composition was formulated, followed by biochemical surface functionalization to examine its potential in urea biosensor development. The SiO2NPs were basically synthesized based on sol-gel chemistry using a modified Stober method. The SiO2NPs surfaces were modified with amine (-NH2) functional groups for urease immobilization in the presence of glutaric acid (GA) cross-linker. The chromoionophore pH-sensitive dye ETH 5294 was physically adsorbed on the functionalized SiO2NPs as pH transducer. The immobilized urease determined urea concentration reflectometrically based on the colour change of the immobilized chromoionophore as a result of the enzymatic hydrolysis of urea. The pH changes on the biosensor due to the catalytic enzyme reaction of immobilized urease were found to correlate with the urea concentrations over a linear response range of 50-500 mM (R2 = 0.96) with a detection limit of 10 mM urea. The biosensor response time was 9 min with reproducibility of less than 10% relative standard deviation (RSD). This optical urea biosensor did not show interferences by Na+, K+, Mg2+ and NH4+ ions. The biosensor performance has been validated using urine samples in comparison with a non-enzymatic method based on the use of p-dimethylaminobenzaldehyde (DMAB) reagent and demonstrated a good correlation between the two different methods (R2 = 0.996 and regression slope of 1.0307). The SiO2NPs-based reflectometric urea biosensor showed improved dynamic linear response range when compared to other nanoparticle-based optical urea biosensors.

Non-algebraic integrability of the Chew-Low reversible dynamical system of the Cremona type and the relation with the 7th Hilbert problem (non-resonant case)

NASA Astrophysics Data System (ADS)

Rerikh, K. V.

A smooth reversible dynamical system (SRDS) and a system of nonlinear functional equations, defined by a certain rational quadratic Cremona mapping and arising from the static model of the dispersion approach in the theory of strong interactions (the Chew-Low equations for p- wave πN- scattering) are considered. This SRDS is splitted into 1- and 2-dimensional ones. An explicit Cremona transformation that completely determines the exact solution of the two-dimensional system is found. This solution depends on an odd function satisfying a nonlinear autonomous 3-point functional equation. Non-algebraic integrability of SRDS under consideration is proved using the method of Poincaré normal forms and the Siegel theorem on biholomorphic linearization of a mapping at a non-resonant fixed point. The proof is based on the classical Feldman-Baker theorem on linear forms of logarithms of algebraic numbers, which, in turn, relies upon solving the 7th Hilbert problem by A.I. Gel'fond and T. Schneider and new powerful methods of A. Baker in the theory of transcendental numbers. The general theorem, following from the Feldman-Baker theorem, on applicability of the Siegel theorem to the set of the eigenvalues λ ɛ Cn of a mapping at a non-resonant fixed point which belong to the algebraic number field A is formulated and proved. The main results are presented in Theorems 1-3, 5, 7, 8 and Remarks 3, 7.

Non-enzymatic glucose sensing properties of MoO3 nanorods: experimental and density functional theory investigations

NASA Astrophysics Data System (ADS)

Sharma, Maneesha; Gangan, Abhijeet; Chakraborty, Brahmananda; Sekhar Rout, Chandra

2017-11-01

We report the growth of monoclinic MoO3 nanorods by a simple and highly reproducible hydrothermal method. Structural and morphological studies provide significant insights about the phase and crystalline structure of the synthesized samples. Further, the non-enzymatic glucose sensing properties were investigated and the MoO3 nanorods exhibited a sensitivity of 15.4 µA µM-1 cm-2 in the 5-175 µM linear range. Also, a quick response time of 8 s towards glucose molecules was observed, exhibiting an excellent electrochemical activity. We have also performed density functional theory (DFT) simulations to qualitatively support our experimental observations by investigating the interactions and charge-transfer mechanism of glucose on MoO3. There is a strong interaction between glucose and the MoO3 surface due to charge transfer from a bonded O atom of glucose to a Mo atom of MoO3 resulting in a strong hybridization between the p orbital of O and d orbital of Mo. Thus, the MoO3 nanorod-based electrodes are found to be good glucose sensing materials for practical industrial applications.

Synthetic ANaB(Na x Li1 - x Mg1)CMg5Si8O22(OH)2 (with x = 0.6, 0.2 and 0) P21/ m amphiboles at high pressure: a synchrotron infrared study

NASA Astrophysics Data System (ADS)

Iezzi, Gianluca; Liu, Zhenxian; Della Ventura, Giancarlo

2009-06-01

The high-pressure behavior of three synthetic amphiboles crystallized with space group P21/ m at room conditions in the system Li2O-Na2O-MgO-SiO2-H2O has been studied by in situ synchrotron infrared absorption spectroscopy. The amphiboles have compositions ANa B(Na x Li1 - x Mg1) CMg5 Si8 O22(OH)2 with x = 0.6, 0.2 and 0.0, respectively. The high- P experiments up to 32 GPa were carried out on the U2A beamline at Brookhaven National Laboratory (NY, USA) using a diamond anvil cell under non-hydrostatic or quasi-hydrostatic conditions. The two most intense absorption bands in the OH-stretching infrared spectra can be assigned to two non-equivalent O-H dipoles in the P21/ m structure, bonded to the same local environment M1M3Mg3-OH-ANa, and pointing toward two differently kinked tetrahedral rings. In all samples these bands progressively merge to give a unique symmetrical absorption with increasing pressure, suggesting a change in symmetry from P21/ m to C2/ m. The pressure at which the transition occurs appears to be linearly correlated to the aggregate B-site dimension. The infrared spectra collected for amphibole B(Na0.2Li0.8Mg1) in the frequency range 50 to 1,400 cm-1 also show a series of changes with increasing pressure. The data reported here support the inference of Iezzi et al. (Am Miner 91:479-482, 2006a) regarding a new high-pressure amphibole polymorph.

Asymptotics of quasi-classical localized states in 2D system of charged hard-core bosons

NASA Astrophysics Data System (ADS)

Panov, Yu. D.; Moskvin, A. S.

2018-05-01

The continuous quasi-classical two-sublattice approximation is constructed for the 2D system of charged hard-core bosons to explore metastable inhomogeneous states analogous to inhomogeneous localized excitations in magnetic systems. The types of localized excitations are determined by asymptotic analysis and compared with numerical results. Depending on the homogeneous ground state, the excitations are the ferro and antiferro type vortices, the skyrmion-like topological excitations or linear domain walls.

A theoretical framework for constructing elastic/plastic constitutive models of triaxial tests

NASA Astrophysics Data System (ADS)

Collins, Ian F.; Hilder, Tamsyn

2002-11-01

Modern ideas of thermomechanics are used to develop families of models describing the elastic/plastic behaviour of cohesionless soils deforming under triaxial conditions. Once the form of the free energy and dissipation potential functions have been specified, the corresponding yield loci, flow rules, isotropic and kinematic hardening rules as well as the elasticity law are deduced in a systematic manner. The families contain the classical linear frictional (Coulomb type) models and the classical critical state models as special cases. The generalized models discussed here include non-associated flow rules, shear as well as volumetric hardening, anisotropic responses and rotational yield loci. The various parameters needed to describe the models can be interpreted in terms of ratio of the plastic work, which is dissipated, to that which is stored. Non-associated behaviour is found to occur whenever this division between dissipated and stored work is not equal. Micro-level interpretations of stored plastic work are discussed. The models automatically satisfy the laws of thermodynamics, and there is no need to invoke any stability postulates. Some classical forms of the peak-strength/dilatancy relationship are established theoretically. Some representative drained and undrained paths are computed.

Entropy Analysis in Mixed Convection MHD flow of Nanofluid over a Non-linear Stretching Sheet

NASA Astrophysics Data System (ADS)

Matin, Meisam Habibi; Nobari, Mohammad Reza Heirani; Jahangiri, Pouyan

This article deals with a numerical study of entropy analysis in mixed convection MHD flow of nanofluid over a non-linear stretching sheet taking into account the effects of viscous dissipation and variable magnetic field. The nanofluid is made of such nano particles as SiO2 with pure water as a base fluid. To analyze the problem, at first the boundary layer equations are transformed into non-linear ordinary equations using a similarity transformation. The resultant equations are then solved numerically using the Keller-Box scheme based on the implicit finite-difference method. The effects of different non-dimensional governing parameters such as magnetic parameter, nanoparticles volume fraction, Nusselt, Richardson, Eckert, Hartman, Brinkman, Reynolds and entropy generation numbers are investigated in details. The results indicate that increasing the nano particles to the base fluids causes the reduction in shear forces and a decrease in stretching sheet heat transfer coefficient. Also, decreasing the magnetic parameter and increasing the Eckert number result in improves heat transfer rate. Furthermore, the surface acts as a strong source of irreversibility due to the higher entropy generation number near the surface.

The effect of host relaxation and dynamics on guest molecule dynamics in H2/tetrahydrofuranhydrate.

PubMed

Peterson, Vanessa K; Shoko, Elvis; Kearley, Gordon J

2011-01-01

We use ab initio molecular dynamics simulations to obtain classically the effects of H2O cage motions on the potential-energy surface (PES) of encapsulated H2 in the H2/tetrahydrofuran-hydrate system. The significant differences between the PES for the H2 in rigid and flexible cages that we find will influence calculation of the quantum dynamics of the H2. Part of these differences arises from the relaxation of the H2O cage around the classical H2, with a second part arising from the coupling of both translational and rotational motions of H2 with the H20 cage. We find that isotopic substitution of 2H for 1H of the H2O cage affects the coupling, which has implications for experiments that require the use of 2H2O, including inelastic neutron scattering that uses 2H2O cages in order to focus on the H2 guest dynamics. Overall, this work emphasizes the importance of taking into account cage dynamics in any approach used to understand the dynamics of H2 guests in porous framework materials.

Bench experiments comparing simulated inspiratory effort when breathing helium-oxygen mixtures to that during positive pressure support with air.

PubMed

Martin, Andrew R; Katz, Ira M; Jenöfi, Katharina; Caillibotte, Georges; Brochard, Laurent; Texereau, Joëlle

2012-10-03

Inhalation of helium-oxygen (He/O2) mixtures has been explored as a means to lower the work of breathing of patients with obstructive lung disease. Non-invasive ventilation (NIV) with positive pressure support is also used for this purpose. The bench experiments presented herein were conducted in order to compare simulated patient inspiratory effort breathing He/O2 with that breathing medical air, with or without pressure support, across a range of adult, obstructive disease patterns. Patient breathing was simulated using a dual-chamber mechanical test lung, with the breathing compartment connected to an ICU ventilator operated in NIV mode with medical air or He/O2 (78/22 or 65/35%). Parabolic or linear resistances were inserted at the inlet to the breathing chamber. Breathing chamber compliance was also varied. The inspiratory effort was assessed for the different gas mixtures, for three breathing patterns, with zero pressure support (simulating unassisted spontaneous breathing), and with varying levels of pressure support. Inspiratory effort increased with increasing resistance and decreasing compliance. At a fixed resistance and compliance, inspiratory effort increased with increasing minute ventilation, and decreased with increasing pressure support. For parabolic resistors, inspiratory effort was lower for He/O2 mixtures than for air, whereas little difference was measured for nominally linear resistance. Relatively small differences in inspiratory effort were measured between the two He/O2 mixtures. Used in combination, reductions in inspiratory effort provided by He/O2 and pressure support were additive. The reduction in inspiratory effort afforded by breathing He/O2 is strongly dependent on the severity and type of airway obstruction. Varying helium concentration between 78% and 65% has small impact on inspiratory effort, while combining He/O2 with pressure support provides an additive reduction in inspiratory effort. In addition, breathing He/O2 alone may provide an alternative to pressure support in circumstances where NIV is not available or poorly tolerated.

Magnetic nanoparticle detection method employing non-linear magnetoimpedance effects

NASA Astrophysics Data System (ADS)

Beato-López, J. J.; Pérez-Landazábal, J. I.; Gómez-Polo, C.

2017-04-01

In this work, a sensitive tool to detect magnetic nanoparticles (Fe3O4) based on a non-linear Giant Magnetoimpedance (GMI) effect is presented. The GMI sensor is designed with four nearly zero magnetostrictive ribbons connected in series and was analysed as a function of a constant external magnetic field and exciting frequency. The influence of the magnetic nanoparticles deposited on the ribbon surface was characterized using the first (fundamental) and second (non-linear) harmonics of the magnetoinductive voltage. The results show a clear enhancement of the sensor response in the high magnetic field region (H = 1.5 kA/m) as a consequence of the stray field generated by the magnetic nanoparticles on the GMI ribbons' surface. The highest sensitivity ratios are obtained for the non-linear component in comparison with the fundamental response. The results open a new research strategy in magnetic nanoparticle detection.

The serotonin 5-HT2C receptor and the non-addictive nature of classic hallucinogens

PubMed Central

Canal, Clinton E; Murnane, Kevin S

2017-01-01

Classic hallucinogens share pharmacology as serotonin 5-HT2A, 5-HT2B, and 5-HT2C receptor agonists. Unique among most other Schedule 1 drugs, they are generally non-addictive and can be effective tools in the treatment of addiction. Mechanisms underlying these attributes are largely unknown. However, many preclinical studies show that 5-HT2C agonists counteract the addictive effects of drugs from several classes, suggesting this pharmacological property of classic hallucinogens may be significant. Drawing from a comprehensive analysis of preclinical behavior, neuroanatomy, and neurochemistry studies, this review builds rationale for this hypothesis, and also proposes a testable, neurobiological framework. 5-HT2C agonists work, in part, by modulating dopamine neuron activity in the ventral tegmental area—nucleus accumbens (NAc) reward pathway. We argue that activation of 5-HT2C receptors on NAc shell, GABAergic, medium spiny neurons inhibits potassium Kv1.x channels, thereby enhancing inhibitory activity via intrinsic mechanisms. Together with experiments that show that addictive drugs, such as cocaine, potentiate Kv1.x channels, thereby suppressing NAc shell GABAergic activity, this hypothesis provides a mechanism by which classic hallucinogen-mediated stimulation of 5-HT2C receptors could thwart addiction. It also provides a potential reason for the non-addictive nature of classic hallucinogens. PMID:27903793

Joining the un-joinable: adhesion between low surface energy polymers using tetrapodal ZnO linkers.

PubMed

Jin, Xin; Strueben, Jan; Heepe, Lars; Kovalev, Alexander; Mishra, Yogendra K; Adelung, Rainer; Gorb, Stanislav N; Staubitz, Anne

2012-11-08

Tetrapodal ZnO crystals are used for mechanical interlocking of PTFE and cross-linked PDMS, classically non-adhesive polymers. This novel approach is straightforward and easily applicable and leads to a peel strength that is higher than 200 N m(-1) without chemical modification of the surfaces. The shape of these fillers emerged as a crucial aspect of the interlocking mechanism. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Linear and nonlinear optical discussions of nanostructured Zn-doped CdO thin films

NASA Astrophysics Data System (ADS)

Yahia, I. S.; Salem, G. F.; Iqbal, Javed; Yakuphanoglu, F.

2017-04-01

Here, we report the doping effect of zinc (Zn) on the physical properties of cadmium oxide (CdO) at various concentrations (1, 2, 3 and 4 wt% of Zn). The studied samples were prepared using sol-gel in addition with sol gel spin coating technique. The structural, optical and dispersive properties were compared with the already reported work in the literature. The structural properties were observed by using atomic force microscopy (AFM). The AFM images show that the grain size decreases with increasing the concentration of Zn. The highest value of average cluster size (78. 71 nm) was found at 1% and the lowest (60.23 nm) when the doping concentration of Zn was 4%. Similar trend was observed in the roughness of the doped thin film when the Zn concentration was increased. The optical properties were examined using Shimadzu UV-Vis-NIR spectrophotometer and we found that the optical band gap of the un-doped CdO and the Zn-doped CdO thin films increases from 2.54 to 2.62 eV as the Zn concentration is increased from 1% to 4%. Also, the optical dispersion parameters (Eo, Ed, n2∞, λ0 and So) were calculated and discussed. We observed that the refractive index dispersion of undoped CdO and the Zn-doped CdO thin films follow the single oscillator model. Finally, spectroscopic method has been exploited to analyze the 3rd order non-linear optical susceptibility χ (3) and nonlinear refractive index n (2).

Transport of oxygen ions in Er doped La2Mo2O9 oxide ion conductors: Correlation with microscopic length scales

NASA Astrophysics Data System (ADS)

Paul, T.; Ghosh, A.

2018-01-01

We report oxygen ion transport in La2-xErxMo2O9 (0.05 ≤ x ≤ 0.25) oxide ion conductors. We have measured conductivity and dielectric spectra at different temperatures in a wide frequency range. The mean square displacement and spatial extent of non-random sub-diffusive regions are estimated from the conductivity spectra and dielectric spectra, respectively, using linear response theory. The composition dependence of the conductivity is observed to be similar to that of the spatial extent of non-random sub-diffusive regions. The behavior of the composition dependence of the mean square displacement of oxygen ions is opposite to that of the conductivity. The attempt frequency estimated from the analysis of the electric modulus agrees well with that obtained from the Raman spectra analysis. The full Rietveld refinement of X-ray diffraction data of the samples is performed to estimate the distance between different oxygen lattice sites. The results obtained from such analysis confirm the ion hopping within the spatial extent of non-random sub-diffusive regions.

Revealing a quantum feature of dimensionless uncertainty in linear and quadratic potentials by changing potential intervals

NASA Astrophysics Data System (ADS)

Kheiri, R.

2016-09-01

As an undergraduate exercise, in an article (2012 Am. J. Phys. 80 780-14), quantum and classical uncertainties for dimensionless variables of position and momentum were evaluated in three potentials: infinite well, bouncing ball, and harmonic oscillator. While original quantum uncertainty products depend on {{\\hslash }} and the number of states (n), a dimensionless approach makes the comparison between quantum uncertainty and classical dispersion possible by excluding {{\\hslash }}. But the question is whether the uncertainty still remains dependent on quantum number n. In the above-mentioned article, there lies this contrast; on the one hand, the dimensionless quantum uncertainty of the potential box approaches classical dispersion only in the limit of large quantum numbers (n\\to ∞ )—consistent with the correspondence principle. On the other hand, similar evaluations for bouncing ball and harmonic oscillator potentials are equal to their classical counterparts independent of n. This equality may hide the quantum feature of low energy levels. In the current study, we change the potential intervals in order to make them symmetric for the linear potential and non-symmetric for the quadratic potential. As a result, it is shown in this paper that the dimensionless quantum uncertainty of these potentials in the new potential intervals is expressed in terms of quantum number n. In other words, the uncertainty requires the correspondence principle in order to approach the classical limit. Therefore, it can be concluded that the dimensionless analysis, as a useful pedagogical method, does not take away the quantum feature of the n-dependence of quantum uncertainty in general. Moreover, our numerical calculations include the higher powers of the position for the potentials.

Regularized linearization for quantum nonlinear optical cavities: application to degenerate optical parametric oscillators.

PubMed

Navarrete-Benlloch, Carlos; Roldán, Eugenio; Chang, Yue; Shi, Tao

2014-10-06

Nonlinear optical cavities are crucial both in classical and quantum optics; in particular, nowadays optical parametric oscillators are one of the most versatile and tunable sources of coherent light, as well as the sources of the highest quality quantum-correlated light in the continuous variable regime. Being nonlinear systems, they can be driven through critical points in which a solution ceases to exist in favour of a new one, and it is close to these points where quantum correlations are the strongest. The simplest description of such systems consists in writing the quantum fields as the classical part plus some quantum fluctuations, linearizing then the dynamical equations with respect to the latter; however, such an approach breaks down close to critical points, where it provides unphysical predictions such as infinite photon numbers. On the other hand, techniques going beyond the simple linear description become too complicated especially regarding the evaluation of two-time correlators, which are of major importance to compute observables outside the cavity. In this article we provide a regularized linear description of nonlinear cavities, that is, a linearization procedure yielding physical results, taking the degenerate optical parametric oscillator as the guiding example. The method, which we call self-consistent linearization, is shown to be equivalent to a general Gaussian ansatz for the state of the system, and we compare its predictions with those obtained with available exact (or quasi-exact) methods. Apart from its operational value, we believe that our work is valuable also from a fundamental point of view, especially in connection to the question of how far linearized or Gaussian theories can be pushed to describe nonlinear dissipative systems which have access to non-Gaussian states.

Effect of FA/O complexing agents and H2O2 on chemical mechanical polishing of ruthenium in weakly alkaline slurry

NASA Astrophysics Data System (ADS)

Bo, Duan; Weijing, An; Jianwei, Zhou; Shuai, Wang

2015-07-01

This paper investigated the effect of FA/O and hydrogen peroxide (H2O2) on ruthenium (Ru) removal rate (RR) and static etching rate (SER). It was revealed that Ru RR and SER first linearly increased then slowly decreaseed with the increasing H2O2 probably due to the formation of uniform Ru oxides on the surface during polishing. Their corrosion behaviors and states of surface oxidation were analyzed. In addition, FA/O could chelate Ru oxides (such as (RuO4)2- and RuO4- changed into soluble amine salts [R(NH3)4] (RuO4)2) and enhance Ru RR. The non-ionic surfactant AD was used to improve the Ru CMP performance. In particular, the addition of AD can lead to significant improvement of the surface roughness. Project supported by the Special Project Items No. 2 in National Long-Term Technology Development Plan (No. 2009ZX02308), the Natural Science Foundation of Hebei Province (No. E2013202247), the Science and Technology Plan Project of Hebei Province (Nos. Z2010112, 10213936), the Hebei Provincial Department of Education Fund (No. 2011128), and the Scientific Research Fund of Hebei Provincial Education (No. QN2014208).

Stochastic inflation in phase space: is slow roll a stochastic attractor?

NASA Astrophysics Data System (ADS)

Grain, Julien; Vennin, Vincent

2017-05-01

An appealing feature of inflationary cosmology is the presence of a phase-space attractor, ``slow roll'', which washes out the dependence on initial field velocities. We investigate the robustness of this property under backreaction from quantum fluctuations using the stochastic inflation formalism in the phase-space approach. A Hamiltonian formulation of stochastic inflation is presented, where it is shown that the coarse-graining procedure—where wavelengths smaller than the Hubble radius are integrated out—preserves the canonical structure of free fields. This means that different sets of canonical variables give rise to the same probability distribution which clarifies the literature with respect to this issue. The role played by the quantum-to-classical transition is also analysed and is shown to constrain the coarse-graining scale. In the case of free fields, we find that quantum diffusion is aligned in phase space with the slow-roll direction. This implies that the classical slow-roll attractor is immune to stochastic effects and thus generalises to a stochastic attractor regardless of initial conditions, with a relaxation time at least as short as in the classical system. For non-test fields or for test fields with non-linear self interactions however, quantum diffusion and the classical slow-roll flow are misaligned. We derive a condition on the coarse-graining scale so that observational corrections from this misalignment are negligible at leading order in slow roll.

Classical trajectory studies of gas phase reaction dynamics and kinetics using ab initio potential energy surfaces

NASA Technical Reports Server (NTRS)

Jaffe, Richard L.; Pattengill, Merle D.; Schwenke, David W.

1989-01-01

Strategies for constructing global potential energy surfaces from a limited number of accurate ab initio electronic energy calculations are discussed. Generally, these data are concentrated in small regions of configuration space (e.g., in the vicinity of saddle points and energy minima) and difficulties arise in generating a potential function that is globally well-behaved. Efficient computer codes for carrying out classical trajectory calculations on vector and parallel processors are also described. Illustrations are given from recent work on the following chemical systems: Ca + HF yields CaF + H, H + H + H2 yields H2 + H2, N + O2 yields NO + O and O + N2 yields NO + N. The dynamics and kinetics of metathesis, dissociation, recombination, energy transfer and complex formation processes will be discussed.

Biotype-specific tcpA genes in Vibrio cholerae.

PubMed

Iredell, J R; Manning, P A

1994-08-01

The tcpA gene, encoding the structural subunit of the toxin-coregulated pilus, has been isolated from a variety of clinical isolates of Vibrio cholerae, and the nucleotide sequence determined. Strict biotype-specific conservation within both the coding and putative regulatory regions was observed, with important differences between the El Tor and classical biotypes. V. cholerae O139 Bengal strains appear to have El Tor-type tcpA genes. Environmental O1 and non-O1 isolates have sequences that bind an El Tor-specific tcpA DNA probe and that are weakly and variably amplified by tcpA-specific polymerase chain reaction primers, under conditions of reduced stringency. The data presented allow the selection of primer pairs to help distinguish between clinical and environmental isolates, and to distinguish El Tor (and Bengal) biotypes from classical biotypes of V. cholerae. While the role of TcpA in cholera vaccine preparations remains unclear, the data strongly suggest that TcpA-containing vaccines directed at O1 strains need include only the two forms of TcpA, and that such vaccines directed at (O139) Bengal strains should include the TcpA of El Tor biotype.

Quasi-optical reflective polarimeter for wide millimeter-wave band

NASA Astrophysics Data System (ADS)

Shinnaga, Hiroko; Tsuboi, Masato; Kasuga, Takashi

1998-11-01

We constructed a new reflective-type polarimeter system at 35 - 250 GHz for the 45 m telescope at Nobeyama Radio Observatory (NRO). Using the system, we can measure both linear polarization and circular polarization for our needs. The new system has two key points. First is that we can tune the center frequency of the polarimeter in the available frequency range, second is that insertion loss is low (0.15 plus or minus 0.03 dB at 86 GHz). These characteristics extended achievable scientific aims. In this paper, we present the design and the performance of the system. Using the system, we measured linear polarizations of some astronomical objects at 86 GHz, with SiO (nu) equals 0,1 and 2 at J equals 2 - 1 and 29SiO (nu) equals 0 J equals 2 - 1 simultaneously. As a result, the observation revealed SiO (nu) equals 0 J equals 2 - 1 of VY Canis Majoris is highly linearly polarized, the degree of linear polarization is up to 64%, in spite of SiO J equals 2 - 1 (nu) equals 1 is not highly linearly polarized. The highly linearly polarized feature is a strong evidence that 28SiO J equals 2 - 1 transition at the ground vibrational state originate through maser action. This is the first detection of the cosmic maser emission of SiO (nu) equals 0 J equals 2 - 1 transition.

Average weighted receiving time on the non-homogeneous double-weighted fractal networks

NASA Astrophysics Data System (ADS)

Ye, Dandan; Dai, Meifeng; Sun, Yu; Su, Weiyi

2017-05-01

In this paper, based on actual road networks, a model of the non-homogeneous double-weighted fractal networks is introduced depending on the number of copies s and two kinds of weight factors wi ,ri(i = 1 , 2 , … , s) . The double-weights represent the capacity-flowing weights and the cost-traveling weights, respectively. Denote by wijF the capacity-flowing weight connecting the nodes i and j, and denote by wijC the cost-traveling weight connecting the nodes i and j. Let wijF be related to the weight factors w1 ,w2 , … ,ws, and let wijC be related to the weight factors r1 ,r2 , … ,rs. Assuming that the walker, at each step, starting from its current node, moves to any of its neighbors with probability proportional to the capacity-flowing weight of edge linking them. The weighted time for two adjacency nodes is the cost-traveling weight connecting the two nodes. The average weighted receiving time (AWRT) is defined on the non-homogeneous double-weighted fractal networks. AWRT depends on the relationships of the number of copies s and two kinds of weight factors wi ,ri(i = 1 , 2 , … , s) . The obtained remarkable results display that in the large network, the AWRT grows as a power-law function of the network size Ng with the exponent, represented by θ =logs(w1r1 +w2r2 + ⋯ +wsrs) < 1 when w1r1 +w2r2 + ⋯ +wsrs ≠ 1, which means that the smaller the value of w1r1 +w2r2 + ⋯ +wsrs is, the more efficient the process of receiving information is. Especially when w1r1 +w2r2 + ⋯ +wsrs = 1, AWRT grows with increasing order Ng as logNg or (logNg) 2 . In the classic fractal networks, the average receiving time (ART) grows with linearly with the network size Ng. Thus, the non-homogeneous double-weighted fractal networks are more efficient than classic fractal networks in term of receiving information.

{Nb288O768(OH)48(CO3)12}: A Macromolecular Polyoxometalate with Niobium Atoms Close to 300.

PubMed

Wu, Yan-Lan; Li, Xin-Xiong; Qi, Yan-Jie; Yu, Hao; Jin, Lu; Zheng, Shou-Tian

2018-05-29

A protein-sized (ca. 4.2 ᵡ 4.2 ᵡ 3.6 nm3) non-biologically derived molecule {Nb288O768(OH)48(CO3)12} (Nb288) containing up to 288 niobium atoms has been obtained, which is by far the largest and the highest nuclearity polyoxoniobate (PONb). Particularly, in terms of metal nuclearity number, Nb288 is the second largest cluster so far reported in classic polyoxometalate chemistry (V, Mo, W, Nb, and Ta). Nb288 can be described as a giant windmill-like cluster aggregate of six brand-new, nanoscale high-nuclearity PONb units {Nb47O128(OH)6(CO3)2} (Nb47) joined together by six additional Nb ions. Interestingly, the in situ generated 47-nuclearity Nb47 units can be isolated and bridged by copper complexes to form an inorganic-organic hybrid three-dimensional PONb framework, which exhibits effective catalytic activity for hydrolyzing nerve agent simulant of dimethyl methylphosphonate. The unique Nb47 cluster also provides a new type of topology to very limited family of Nb-O clusters. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

A non-classical view of the modulation of mineral precipitation by organic additives

NASA Astrophysics Data System (ADS)

Ruiz-Agudo, Encarnacion; Ruiz-Agudo, Cristina; Burgos-Cara, Alejandro; Putnis, Christine; Rodriguez-Navarro, Carlos; Putnis, Andrew

2016-04-01

Questions persist on the mechanisms of crystallization of sparingly soluble minerals such as calcium carbonate, calcium oxalate or barium sulphate. Compared to CaCO3, the mechanisms of nucleation and growth in the CaC2O4-H2O or BaSO4-H2O systems have received less attention. These phases are important due to their relevance as biominerals and/or unwanted mineral deposits in technological applications. Growing evidence suggests that sparingly soluble salts form by non-classical nucleation and growth pathways, where pre-nucleation ion associates and amorphous (solid or liquid) precursor phase(s) play a critical role (e.g. Rodríguez-Navarro et al. (2015), Ruiz-Agudo et al. (2015)). Indeed the identification of pre-nucleation species in these systems and their strong interactions with organic compounds (Verch et al. 2011) raises the possibility that the control of organics on biomineralization may begin even earlier than previously thought. A sound knowledge of the physical mechanisms by which acidic macromolecules affect nucleation and early growth may offer general insights concerning the molecular control of biomineralization, as well as being critical for improving strategies to control unwanted mineral deposition or for the synthesis of biomimetic materials. Here we present investigations on the initial stages of the precipitation of these relevant minerals in organic-free solutions to identify the precipitation pathway and to look for any potential precursor phase(s) to the final, crystalline polymorph. As well, we explore the effects that several acidic organic compounds have on the different precipitation stages identified. We find that organic additives such as citric acid, polyacrilic acid or a commercial copolymer of maleic acid/allyl sulfonic acid with phosphonate groups can be active at modifying pre-nucleation stages (destabilizing of pre-nucleation species or hampering the aggregation and growth of pre-nucleation associates) and subsequently strongly inhibit the nucleation of solid phases. These effects are linked to the influence of these molecules on polymorph selection. As well, these additives can affect non-classical growth by oriented assembly of nanoparticles. REFERENCES Rodriguez-Navarro, C., Kudłacz, K., Cizer, Ö., Ruiz-Agudo, E., 2015. Formation of amorphous calcium carbonate and its transformation into mesostructured calcite. CrystEngComm 17 (1), 58-72. Ruiz Agudo, C; Ruiz Agudo, E; Putnis, C.V.; Putnis, A., 2015. Mechanistic principles of barite formation: from nanoparticles to micron-sized crystals. Crystal Growth & Design 15, 3724-3733. Verch, A., Gebauer, D., Antonietti, M., Cölfen, H., 2011. How to control the scaling of CaCO3: a "fingerprinting technique" to classify additives. Physical chemistry chemical physics: PCCP 13 (37), 16811-16820.

Evaluation of the i-STAT Point-of-Care Analyzer in Critically Ill Adult Patients

PubMed Central

Steinfelder-Visscher, Jacoline; Teerenstra, Steven; Klein Gunnewiek, Jacqueline M.T.; Weerwind, Patrick W.

2008-01-01

Abstract: Point-of-care analyzers may benefit therapeutic decision making by reducing turn-around-time for samples. This is especially true when biochemical parameters exceed the clinical reference range, in which acute and effective treatment is essential. We therefore evaluated the analytical performance of the i-STAT point-of-care analyzer in two critically ill adult patient populations. During a 3-month period, 48 blood samples from patients undergoing cardiac surgery with cardiopulmonary bypass (CPB) and 42 blood samples from non-cardiac patients who needed intensive care treatment were analyzed on both the i-STAT analyzer (CPB and non-CPB mode, respectively) and our laboratory analyzers (RapidLab 865/Sysmex XE-2100 instrument). The agreement analysis for quantitative data was used to compare i-STAT to RapidLab for blood gas/electrolytes and for hematocrit with the Sysmex instrument. Point-of-care electrolytes and blood gases had constant deviation, except for pH, pO2, and hematocrit. A clear linear trend in deviation of i-STAT from RapidLab was noticed for pH during CPB (r = 0.32, p = .03) and for pO2 > 10 kPa during CPB (r = −0.59, p < .0001 when 10 < pO2 <30 kPa) and in the intensive care unit (r = −0.61, p < .001 when 10 < pO2 <30 kPa). In the normal pO2 range (10.6 < pO2 <13.3 kPa), the performance of the i-STAT was comparable to the RapidLab. In contrast to hematocrit measured during CPB, hematocrit using the non-CPB mode in the non-cardiac intensive care population showed an underestimation up to 2.2% (p < .0001) in the hematocrit range below 25% (n = 11) using the i-STAT. The i-STAT analyzer is suitable for point-of-care testing of electrolytes and blood gases in critically ill patients, except for high pO2. However, the discrepancy in hematocrit bias shows that accuracy established in one patient population cannot be automatically extrapolated to other patient populations, thus stressing the need for separate evaluation. PMID:18389666

Intermolecular CH···O/N H-bonds in the biologically important pairs of natural nucleobases: a thorough quantum-chemical study.

PubMed

Brovarets', Ol'ha O; Yurenko, Yevgen P; Hovorun, Dmytro M

2014-01-01

This study aims to cast light on the physico-chemical nature and energetic of the non-conventional CH···O/N H-bonds in the biologically important natural nucleobase pairs using a comprehensive quantum-chemical approach. As a whole, the 36 biologically important pairs, involving canonical and rare tautomers of nucleobases, were studied by means of all available up-to-date state-of-the-art quantum-chemical techniques along with quantum theory "Atoms in molecules" (QTAIM), Natural Bond Orbital (NBO) analysis, Grunenberg's compliance constants theory, geometrical and vibrational analyses to identify the CH···O/N interactions, reveal their physico-chemical nature and estimate their strengths as well as contribution to the overall base-pairs stability. It was shown that all the 38 CH···O/N contacts (25 CH···O and 13 CH···N H-bonds) completely satisfy all classical geometrical, electron-topological, in particular Bader's and "two-molecule" Koch and Popelier's, and vibrational criteria of H-bonding. The positive values of Grunenberg's compliance constants prove that the CH···O/N contacts in nucleobase pairs are stabilizing interactions unlike electrostatic repulsion and anti-H-bonds. NBO analysis indicates the electron density transfer from the lone electron pair of the acceptor atom (O/N) to the antibonding orbital corresponding to the donor group σ(∗)(CH). Moreover, significant increase in the frequency of the out-of-plane deformation modes γ (CH) under the formation of the CH···O (by 17.2÷81.3/10.8÷84.7 cm(-1)) and CH···N (by 32.7÷85.9/9.0÷77.9 cm(-1)) H-bonds at the density functional theory (DFT)/second-order Møller-Plesset (MP2) levels of theory, respectively, and concomitant changes of their intensities can be considered as reliable indicators of H-bonding. The strengths of the CH···O/N interactions, evaluated by means of Espinosa-Molins-Lecomte formula, lie within the range 0.45÷3.89/0.62÷4.10 kcal/mol for the CH···O H-bonds and 1.45÷3.17/1.70÷3.43 kcal/mol for the CH···N H-bonds at the DFT/MP2 levels of theory, respectively. We revealed high linear mutual correlations between the H-bond energy and different physico-chemical parameters of the CH···O/N H-bonds. Based on these observations, the authors asserted that the most reliable descriptors of the H-bonding are the electron density ρ at the СН···О/N H-bond critical points and the NBO calculated stabilization energy E((2)). The linear dependence of the H-bond energy ECH···O/N (in kcal/mol) on the electron density ρ (in atomic units) was established (DFT/MP2): ECH···O = 248.501[Formula: see text]ρ-0.367/260.518[Formula: see text]ρ-0.373 and ECH···N = 218.125[Formula: see text]ρ-0.339/243.599[Formula: see text]ρ-0.441. Red-shifted and blue-shifted CH···O/N H-bonds behave in a similar way and can be described with the same fit parameters. It was found that the A-U HH2 and U-U3 nucleobase pairs are stabilized solely by the CH···O/N H-bonds. At the same time, in the A-U HH1, A-U HH2, A-Asyn 1, A-Asyn 2, A-Asyn 3, A-A4, A-G1, A-G2, G-U1, G-U2, G-U3, G-C HH1, U-U1, U-U2, U-U3 and A-C nucleobase pairs the CH···O/N H-bonds play a prominent role (>30%) in their stabilization. We suppose that unconventional CH···O/N H-bond plays the role of the third "fulcrum", ensuring structurally dynamic similarity of the isomorphic base pairs of different origin, which are incorporated equally well into the structure of the DNA double helix.

Climate regime shifts in paleoclimate time series from the Yucatán Peninsula: from the Preclassic to Classic period

NASA Astrophysics Data System (ADS)

Polanco Martínez, Josue M.; Medina-Elizalde, Martin; Burns, Stephen J.; Jiang, Xiuyang; Shen, Chuan-Chou

2015-04-01

It has been widely accepted by the paleoclimate and archaeology communities that extreme climate events (especially droughts) and past climate change played an important role in the cultural changes that occurred in at least some parts of the Maya Lowlands, from the Pre-Classic (2000 BC to 250 AD) to Post-Classic periods (1000 to 1521 AD) [1, 2]. In particular, a large number of studies suggest that the decline of the Maya civilization in the Terminal Classic Period was greatly influenced by prolonged severe drought events that probably triggered significant societal disruptions [1, 3, 4, 5]. Going further on these issues, the aim of this work is to detect climate regime shifts in several paleoclimate time series from the Yucatán Peninsula (México) that have been used as rainfall proxies [3, 5, 6, 7]. In order to extract information from the paleoclimate data studied, we have used a change point method [8] as implemented in the R package strucchange, as well as the RAMFIT method [9]. The preliminary results show for all the records analysed a prominent regime shift between 400 to 200 BCE (from a noticeable increase to a remarkable fall in precipitation), which is strongest in the recently obtained stalagmite (Itzamna) delta18-O precipitation record [7]. References [1] Gunn, J. D., Matheny, R. T., Folan, W. J., 2002. Climate-change studies in the Maya area. Ancient Mesoamerica, 13(01), 79-84. [2] Yaeger, J., Hodell, D. A., 2008. The collapse of Maya civilization: assessing the interaction of culture, climate, and environment. El Niño, Catastrophism, and Culture Change in Ancient America, 197-251. [3] Hodell, D. A., Curtis, J. H., Brenner, M., 1995. Possible role of climate in the collapse of Classic Maya civilization. Nature, 375(6530), 391-394. [4] Aimers, J., Hodell, D., 2011. Societal collapse: Drought and the Maya. Nature 479(7371), 44-45 (2011). [5] Medina-Elizalde, M., Rohling, E. J., 2012. Collapse of Classic Maya civilization related to modest reduction in precipitation. Science, 335(6071), 956-959. [6] Medina-Elizalde, M., Burns, S. J., Lea, D. W., Asmerom, Y., von Gunten, L., Polyak, V., Vuille, M., Karmalkar, A., 2010. High resolution stalagmite climate record from the Yucatán Peninsula spanning the Maya terminal classic period. Earth and Planetary Science Letters, 298(1), 255-262. [7] Medina-Elizalde, M., Burns, S. J, Jiang, X., Shen, C. C., Lases-Hernandez, F., Polanco-Martinez, J.M., High-resolution stalagmite record from the Yucatan Peninsula spanning the Preclassic period, work in progress to be submitted to the Global Planetary Change (by invitation). [8] Zeileis, A., Leisch, F., Hornik, K., Kleiber, C., 2002. strucchange: An R Package for Testing for Structural Change in Linear Regression Models. Journal of statistical software, 7(2), 1-38. [9] Mudelsee, M. (2000). Ramp function regression: a tool for quantifying climate transitions. Computers & Geosciences, 26(3), 293-307.

Heart rate variability in normal and pathological sleep.

PubMed

Tobaldini, Eleonora; Nobili, Lino; Strada, Silvia; Casali, Karina R; Braghiroli, Alberto; Montano, Nicola

2013-10-16

Sleep is a physiological process involving different biological systems, from molecular to organ level; its integrity is essential for maintaining health and homeostasis in human beings. Although in the past sleep has been considered a state of quiet, experimental and clinical evidences suggest a noteworthy activation of different biological systems during sleep. A key role is played by the autonomic nervous system (ANS), whose modulation regulates cardiovascular functions during sleep onset and different sleep stages. Therefore, an interest on the evaluation of autonomic cardiovascular control in health and disease is growing by means of linear and non-linear heart rate variability (HRV) analyses. The application of classical tools for ANS analysis, such as HRV during physiological sleep, showed that the rapid eye movement (REM) stage is characterized by a likely sympathetic predominance associated with a vagal withdrawal, while the opposite trend is observed during non-REM sleep. More recently, the use of non-linear tools, such as entropy-derived indices, have provided new insight on the cardiac autonomic regulation, revealing for instance changes in the cardiovascular complexity during REM sleep, supporting the hypothesis of a reduced capability of the cardiovascular system to deal with stress challenges. Interestingly, different HRV tools have been applied to characterize autonomic cardiac control in different pathological conditions, from neurological sleep disorders to sleep disordered breathing (SDB). In summary, linear and non-linear analysis of HRV are reliable approaches to assess changes of autonomic cardiac modulation during sleep both in health and diseases. The use of these tools could provide important information of clinical and prognostic relevance.

Effect of food processing organic matter on photocatalytic bactericidal activity of titanium dioxide (TiO2).

PubMed

Yemmireddy, Veerachandra K; Hung, Yen-Con

2015-07-02

The purpose of this study was to determine the effect of food processing organic matter on photocatalytic bactericidal activity of titanium dioxide (TiO2) nanoparticles (NPs). Produce and meat processing wash solutions were prepared using romaine lettuce and ground beef samples. Physico-chemical properties such as pH, turbidity, chemical oxygen demand (COD), total phenolics (for produce) and protein (for meat) content of the extracts were determined using standard procedures. The photocatalytic bactericidal activity of TiO2 (1 mg/mL) in suspension with or without organic matter against Escherichia coli O157:H7 (5-strain) was determined over a period of 3h. Increasing the concentration of organic matter (either produce or meat) from 0% to 100% resulted in 85% decrease in TiO2 microbicidal efficacy. 'Turbidity, total phenolics, and protein contents in wash solutions had significant effect on the log reduction. Increasing the total phenolics content in produce washes from 20 to 114 mg/L decreased the log reduction from 2.7 to 0.38 CFU/mL, whereas increasing the protein content in meat washes from 0.12 to 1.61 mg/L decreased the log reduction from and 5.74 to 0.87 CFU/mL. Also, a linear correlation was observed between COD and total phenolics as well as COD and protein contents. While classical disinfection kinetic models failed to predict, an empirical equation in the form of "Y=me(nX)" (where Y is log reduction, X is COD, and m and n are reaction rate constants) predicted the disinfection kinetics of TiO2 in the presence of organic matter (R(2)=94.4). This study successfully identified an empirical model with COD as a predictor variable to predict the bactericidal efficacy of TiO2 when used in food processing environment. Copyright © 2015 Elsevier B.V. All rights reserved.

Non-linear non-local molecular electrodynamics with nano-optical fields.

PubMed

Chernyak, Vladimir Y; Saurabh, Prasoon; Mukamel, Shaul

2015-10-28

The interaction of optical fields sculpted on the nano-scale with matter may not be described by the dipole approximation since the fields may vary appreciably across the molecular length scale. Rather than incrementally adding higher multipoles, it is advantageous and more physically transparent to describe the optical process using non-local response functions that intrinsically include all multipoles. We present a semi-classical approach for calculating non-local response functions based on the minimal coupling Hamiltonian. The first, second, and third order response functions are expressed in terms of correlation functions of the charge and the current densities. This approach is based on the gauge invariant current rather than the polarization, and on the vector potential rather than the electric and magnetic fields.

Constraining the processes modifying the surfaces of the classical Uranian satellites

NASA Astrophysics Data System (ADS)

Cartwright, Richard J.; Emery, Joshua P.

2016-10-01

Near-infrared (NIR) observations of the classical Uranian moons have detected relatively weak H2O ice bands, mixed with a spectrally red, low albedo constituent on the surfaces of their southern hemispheres (sub-observer lat. ~10 - 75°S). The H2O bands and the degree of spectral reddening are greatest on the leading hemispheres of these moons. CO2 ice bands have been detected in spectra collected over their trailing hemispheres, with stronger CO2 bands on the moons closest to Uranus. Our preferred hypotheses to explain the distribution of CO2, H2O, and dark material are: bombardment by magnetospherically-embedded charged particles, primarily on the trailing hemispheres of these moons, and bombardment by micrometeorites, primarily on their leading hemispheres.To test these complementary hypotheses, we are constraining the distribution and spectral characteristics of surface constituents on the currently observable northern hemispheres (sub-observer lat. ~20 - 35°N) to compare with existing southern hemisphere data. Analysis of northern hemisphere data shows that CO2 is present on their trailing hemispheres, and H2O bands and the degree of spectral reddening are strongest on their leading hemispheres, in agreement with the southern hemisphere data. This longitudinal distribution of constituents supports our preferred hypotheses.However, tantalizing mysteries regarding the distribution of constituents remain. There has been no detection of CO2 on Miranda, and H2O bands are stronger on its trailing hemisphere. NIR slope measurements indicate that the northern hemisphere of Titania is redder than Oberon, unlike the spectral colors of their southern hemispheres. There are latitudinal variations in H2O band strengths on these moons, with stronger H2O bands at northern latitudes compared to southern latitudes on Umbriel and Titania. Several Miranda and Ariel spectra potentially include weak and unconfirmed NH3-hydrate bands, which could be tracers of cryovolcanic emplacement. We will present work related to our goals of constraining the processes modifying the surfaces of the classical Uranian moons.

On non-autonomous dynamical systems

NASA Astrophysics Data System (ADS)

Anzaldo-Meneses, A.

2015-04-01

In usual realistic classical dynamical systems, the Hamiltonian depends explicitly on time. In this work, a class of classical systems with time dependent nonlinear Hamiltonians is analyzed. This type of problems allows to find invariants by a family of Veronese maps. The motivation to develop this method results from the observation that the Poisson-Lie algebra of monomials in the coordinates and momenta is clearly defined in terms of its brackets and leads naturally to an infinite linear set of differential equations, under certain circumstances. To perform explicit analytic and numerical calculations, two examples are presented to estimate the trajectories, the first given by a nonlinear problem and the second by a quadratic Hamiltonian with three time dependent parameters. In the nonlinear problem, the Veronese approach using jets is shown to be equivalent to a direct procedure using elliptic functions identities, and linear invariants are constructed. For the second example, linear and quadratic invariants as well as stability conditions are given. Explicit solutions are also obtained for stepwise constant forces. For the quadratic Hamiltonian, an appropriated set of coordinates relates the geometric setting to that of the three dimensional manifold of central conic sections. It is shown further that the quantum mechanical problem of scattering in a superlattice leads to mathematically equivalent equations for the wave function, if the classical time is replaced by the space coordinate along a superlattice. The mathematical method used to compute the trajectories for stepwise constant parameters can be applied to both problems. It is the standard method in quantum scattering calculations, as known for locally periodic systems including a space dependent effective mass.

Isotopomers as a method for differentiating between bacterial and fungal production of nitrous oxide

NASA Astrophysics Data System (ADS)

Sutka, R. L.; Adams, G.; Ostrom, N.; Ostrom, P.

2007-12-01

In order to study the importance of fungi to nitrous oxide (N2O) production in the environment it is critical to have a non-intrusive method for differentiating between fungal and bacterial N2O production. Site preference (SP), the difference in d15N between the central and outer N atoms in N2O, has been used to differentiate between bacterial nitrification and denitrification. In this study we compare the SP, d15N and d18O of N2O produced by the two best-studied fungal denitrifiers, Fusarium oxysporum and Cylindrocarpon tonkinense, to data from our previous bacterial studies. Both d18O and SP values remained fairly constant during the course of nitrite reduction which likely reflects isotopic exchange with water in the case of d18O and conservative behavior in SP that has been observed previously (Sutka et al., 2006). We observed a wide range of fractionation factors for fungal denitrification, -74.7 to -6.6 ‰, and non-linear behavior indicating that fractionation was controlled by more than one step. We interpret the small degree of fractionation as reflecting fractionation during diffusion and the more negative values as being controlled by enzymatic fractionation. Data from this and our previous study of bacterial production (Sutka et al., 2006) reveals that N2O produced via nitrification by fungi can be differentiated from N2O produced by bacterial denitrification primarily on the basis of d18O. The site preference of N2O produced by F. oxysporum and C. tonkinense was 37.1 ± 2.5 ‰ and 36.9 ± 2.8 ‰, respectively. These results indicate that isotopomers can be used as a basis for differentiating bacterial and fungal denitrification. Our work further reveals the role that fungal and bacterial nitric oxide reductases have in determining site preference during N2O production.

The Development of Non-Enzymatic Glucose Biosensors Based on Electrochemically Prepared Polypyrrole–Chitosan–Titanium Dioxide Nanocomposite Films

PubMed Central

AL-Mokaram, Ali M. A. Abdul Amir; Yahya, Rosiyah; Abdi, Mahnaz M.; Mahmud, Habibun Nabi Muhammad Ekramul

2017-01-01

The performance of a modified electrode of nanocomposite films consisting of polypyrrole–chitosan–titanium dioxide (Ppy-CS-TiO2) has been explored for the developing a non-enzymatic glucose biosensors. The synergy effect of TiO2 nanoparticles (NPs) and conducting polymer on the current responses of the electrode resulted in greater sensitivity. The incorporation of TiO2 NPs in the nanocomposite films was confirmed by X-ray photoelectron spectroscopy (XPS) spectra. FE-SEM and HR-TEM provided more evidence for the presence of TiO2 in the Ppy-CS structure. Glucose biosensing properties were determined by amperommetry and cyclic voltammetry (CV). The interfacial properties of nanocomposite electrodes were studied by electrochemical impedance spectroscopy (EIS). The developed biosensors showed good sensitivity over a linear range of 1–14 mM with a detection limit of 614 μM for glucose. The modified electrode with Ppy-CS nanocomposite also exhibited good selectivity and long-term stability with no interference effect. The Ppy-CS-TiO2 nanocomposites films presented high electron transfer kinetics. This work shows the role of nanomaterials in electrochemical biosensors and describes the process of their homogeneous distribution in composite films by a one-step electrochemical process, where all components are taken in a single solution in the electrochemical cell. PMID:28561760

Quantum formalism for classical statistics

NASA Astrophysics Data System (ADS)

Wetterich, C.

2018-06-01

In static classical statistical systems the problem of information transport from a boundary to the bulk finds a simple description in terms of wave functions or density matrices. While the transfer matrix formalism is a type of Heisenberg picture for this problem, we develop here the associated Schrödinger picture that keeps track of the local probabilistic information. The transport of the probabilistic information between neighboring hypersurfaces obeys a linear evolution equation, and therefore the superposition principle for the possible solutions. Operators are associated to local observables, with rules for the computation of expectation values similar to quantum mechanics. We discuss how non-commutativity naturally arises in this setting. Also other features characteristic of quantum mechanics, such as complex structure, change of basis or symmetry transformations, can be found in classical statistics once formulated in terms of wave functions or density matrices. We construct for every quantum system an equivalent classical statistical system, such that time in quantum mechanics corresponds to the location of hypersurfaces in the classical probabilistic ensemble. For suitable choices of local observables in the classical statistical system one can, in principle, compute all expectation values and correlations of observables in the quantum system from the local probabilistic information of the associated classical statistical system. Realizing a static memory material as a quantum simulator for a given quantum system is not a matter of principle, but rather of practical simplicity.

The Soil Sink for Nitrous Oxide: Trivial Amount but Challenging Question

NASA Astrophysics Data System (ADS)

Davidson, E. A.; Savage, K. E.; Sihi, D.

2015-12-01

Net uptake of atmospheric nitrous oxide (N2O) has been observed sporadically for many years. Such observations have often been discounted as measurement error or noise, but they were reported frequently enough to gain some acceptance as valid. The advent of fast response field instruments with good sensitivity and precision has permitted confirmation that some soils can be small sinks of N2O. With regards to "closing the global N2O budget" the soil sink is trivial, because it is smaller than the error terms of most other budget components. Although not important from a global budget perspective, the existence of a soil sink for atmospheric N2O presents a fascinating challenge for understanding the physical, chemical, and biological processes that explain the sink. Reduction of N2O by classical biological denitrification requires reducing conditions generally found in wet soil, and yet we have measured the N2O sink in well drained soils, where we also simultaneously measure a sink for atmospheric methane (CH4). Co-occurrence of N2O reduction and CH4 oxidation would require a broad range of microsite conditions within the soil, spanning high and low oxygen concentrations. Abiotic sinks for N2O or other biological processes that consume N2O could exist, but have not yet been identified. We are attempting to simulate processes of diffusion of N2O, CH4, and O2 from the atmosphere and within a soil profile to determine if classical biological N2O reduction and CH4 oxidation at rates consistent with measured fluxes are plausible.

Glasses having a low non-linear refractive index for laser applications

DOEpatents

Faulstich, Marga; Jahn, Walter; Krolla, Georg; Neuroth, Norbert

1980-01-01

Glass composition ranges are described which permit the introduction of laser activators into fluorphosphate glass with exceptionally high fluorine content while forming glasses of high crystallization stability and permitting the realization of large melt volumes. The high fluorine content imparts to the glasses an exceptionally low nonlinear refractive index n.sub.2 down to O,4 .times.10.sup.-13 esu.

Use of infrared spectroscopy for the determination of electronegativity of rare earth elements.

PubMed

Frost, Ray L; Erickson, Kristy L; Weier, Matt L; McKinnon, Adam R; Williams, Peter A; Leverett, Peter

2004-07-01

Infrared spectroscopy has been used to study a series of synthetic agardite minerals. Four OH stretching bands are observed at around 3568, 3482, 3362, and 3296 cm(-1). The first band is assigned to zeolitic, non-hydrogen-bonded water. The band at 3296 cm(-1) is assigned to strongly hydrogen-bonded water with an H bond distance of 2.72 A. The water in agardites is better described as structured water and not as zeolitic water. Two bands at around 999 and 975 cm(-1) are assigned to OH deformation modes. Two sets of AsO symmetric stretching vibrations were found and assigned to the vibrational modes of AsO(4) and HAsO(4) units. Linear relationships between positions of infrared bands associated with bonding to the OH units and the electronegativity of the rare earth elements were derived, with correlation coefficients >0.92. These linear functions were then used to calculate the electronegativity of Eu, for which a value of 1.1808 on the Pauling scale was found.

Dynamic Characteristics of Human Motor Performance in Control Systems.

DTIC Science & Technology

1979-01-01

h drynontrol system . Several lines of inves ___ igaion avebee use inaddiionto nputoutut sudis wth hmansubets LI.- 7 Th (nulreycmriigifrainfosusl...TAB Untjc. ao un c ’ n TTci St rLi b DYNAMIC CHARACTERISTICS OF HUMAN MOTOR PERFORMANCE IN CONTROL SYSTEMS %iOSRTR. 8-0 76 0 Ar3) -O75 -8’O’f FINAL...whereby motor patterns are represented in the nervous system . Findings include a detailing of linear and non-linear features of motor activity in

Primordial helium abundance determination using sulphur as metallicity tracer

NASA Astrophysics Data System (ADS)

Fernández, Vital; Terlevich, Elena; Díaz, Angeles I.; Terlevich, Roberto; Rosales-Ortega, F. F.

2018-05-01

The primordial helium abundance YP is calculated using sulphur as metallicity tracer in the classical methodology (with YP as an extrapolation of Y to zero metals). The calculated value, YP, S = 0.244 ± 0.006, is in good agreement with the estimate from the Planck experiment, as well as, determinations in the literature using oxygen as the metallicity tracer. The chemical analysis includes the sustraction of the nebular continuum and of the stellar continuum computed from simple stellar population synthesis grids. The S+2 content is measured from the near infrared [SIII]λλ9069Å, 9532Å lines, while an ICF(S3 +) is proposed based on the Ar3 +/Ar2 + fraction. Finally, we apply a multivariable linear regression using simultaneously oxygen, nitrogen and sulphur abundances for the same sample to determine the primordial helium abundance resulting in YP - O, N, S = 0.245 ± 0.007.

Compositional Trends on the Large Moons of Uranus: Evidence for System-Wide Modification

NASA Astrophysics Data System (ADS)

Cartwright, R.; Emery, J. P.

2017-12-01

Previous near-infrared (NIR) observations centered over southern latitudes ( 5 - 30°S) of the classical Uranian moons have detected H2Oww ice bands, mixed with a spectrally neutral and low albedo constituent. The strengths of the detected H2O bands are greater on the leading hemispheres of these moons compared to their trailing hemispheres, with a reduction in leading/trailing H2O band strengths with distance from Uranus. CO2 ice bands have been detected in spectra collected over the trailing hemispheres of the classical Uranian satellites, with stronger CO2 bands on the moons closest to Uranus. Our preferred hypotheses to explain the hemispherical and planetocentric trends in the distribution of CO2 and the strength of detected H2O bands are: bombardment by magnetospherically-embedded charged particles, primarily on the trailing hemispheres of these moons, and bombardment by dust particles, primarily on their leading hemispheres. To test these complementary hypotheses, we are constraining the distribution and spectral characteristics of surface constituents on the currently observable northern hemispheres (sub-observer lat. 20 - 35°N) of these moons with new NIR observations. Analysis of northern hemisphere data shows that CO2 is present on their trailing hemispheres, and H2O bands are strongest on their leading hemispheres, in agreement with the southern hemisphere data. This longitudinal distribution of constituents supports our preferred hypotheses. Tantalizing mysteries regarding the distribution of constituents on these moons remain. There has been no detection of CO2 on Miranda, and H2O bands are subtly stronger on its trailing hemisphere compared to its leading hemisphere, counter to the hemispherical trends displayed on the other classical satellites. Some Uranian satellite spectra display a subtle absorption feature near 2.2 µm, which could result from the presence of NH3-hydrates on these moons. The presence of this volatile constituent could indicate recent cryovolcanic emplacement and/or recent exposure of NH3-hydrates via mass wasting, tectonism, or impact events. We will present work related to our goals of constraining the processes modifying the surfaces of the classical Uranian moons.

Classical trajectory studies on the dynamics of one-photon double photionization of H2O

NASA Astrophysics Data System (ADS)

Streeter, Zachary; Yip, Frank; Reedy, Dylan P.; Landers, Allen; McCurdy, C. William

2017-04-01

Recent momentum imaging experiments at the Advanced Light Source have opened the possibility of measuring the complete triple differential cross section (TDCS) for one-photon double ionization of H2O in the molecular frame. The measurements depend on the complete breakup process, H2O + hν -> 2e-+ H+ + H+ +O. At the 57 eV photon energy of the experiment this process could proceed via any of the nine energetically accessible electronic states of H2O++. To discover which ionization channels contribute to the observed TDCS for the electrons measured in coincidence with different kinetic energy releases, we have carried out classical trajectory studies for breakup of the water dication on all nine potential surfaces, sampling from a Wigner phase space distribution for the vibrational ground state of H2O. The final momentum distributions of the protons and branching ratios between two- and three-body breakup are then analyzed and the results are compared with experiment to identify which ionization channels contribute to the TDCS observed in coincidence measurements of the ejected electrons. Office of Basic Energy Sciences, U.S. DOE.

The Dangers of Estimating V˙O2max Using Linear, Nonexercise Prediction Models.

PubMed

Nevill, Alan M; Cooke, Carlton B

2017-05-01

This study aimed to compare the accuracy and goodness of fit of two competing models (linear vs allometric) when estimating V˙O2max (mL·kg·min) using nonexercise prediction models. The two competing models were fitted to the V˙O2max (mL·kg·min) data taken from two previously published studies. Study 1 (the Allied Dunbar National Fitness Survey) recruited 1732 randomly selected healthy participants, 16 yr and older, from 30 English parliamentary constituencies. Estimates of V˙O2max were obtained using a progressive incremental test on a motorized treadmill. In study 2, maximal oxygen uptake was measured directly during a fatigue limited treadmill test in older men (n = 152) and women (n = 146) 55 to 86 yr old. In both studies, the quality of fit associated with estimating V˙O2max (mL·kg·min) was superior using allometric rather than linear (additive) models based on all criteria (R, maximum log-likelihood, and Akaike information criteria). Results suggest that linear models will systematically overestimate V˙O2max for participants in their 20s and underestimate V˙O2max for participants in their 60s and older. The residuals saved from the linear models were neither normally distributed nor independent of the predicted values nor age. This will probably explain the absence of a key quadratic age term in the linear models, crucially identified using allometric models. Not only does the curvilinear age decline within an exponential function follow a more realistic age decline (the right-hand side of a bell-shaped curve), but the allometric models identified either a stature-to-body mass ratio (study 1) or a fat-free mass-to-body mass ratio (study 2), both associated with leanness when estimating V˙O2max. Adopting allometric models will provide more accurate predictions of V˙O2max (mL·kg·min) using plausible, biologically sound, and interpretable models.

Phytoplankton Productivity in an Arctic Fjord (West Greenland): Estimating Electron Requirements for Carbon Fixation and Oxygen Production

PubMed Central

Hancke, Kasper; Dalsgaard, Tage; Sejr, Mikael Kristian; Markager, Stiig; Glud, Ronnie Nøhr

2015-01-01

Accurate quantification of pelagic primary production is essential for quantifying the marine carbon turnover and the energy supply to the food web. Knowing the electron requirement (Κ) for carbon (C) fixation (Κ C) and oxygen (O2) production (Κ O2), variable fluorescence has the potential to quantify primary production in microalgae, and hereby increasing spatial and temporal resolution of measurements compared to traditional methods. Here we quantify Κ C and Κ O2 through measures of Pulse Amplitude Modulated (PAM) fluorometry, C fixation and O2 production in an Arctic fjord (Godthåbsfjorden, W Greenland). Through short- (2h) and long-term (24h) experiments, rates of electron transfer (ETRPSII), C fixation and/or O2 production were quantified and compared. Absolute rates of ETR were derived by accounting for Photosystem II light absorption and spectral light composition. Two-hour incubations revealed a linear relationship between ETRPSII and gross 14C fixation (R2 = 0.81) during light-limited photosynthesis, giving a Κ C of 7.6 ± 0.6 (mean ± S.E.) mol é (mol C)−1. Diel net rates also demonstrated a linear relationship between ETRPSII and C fixation giving a Κ C of 11.2 ± 1.3 mol é (mol C)−1 (R2 = 0.86). For net O2 production the electron requirement was lower than for net C fixation giving 6.5 ± 0.9 mol é (mol O2)−1 (R2 = 0.94). This, however, still is an electron requirement 1.6 times higher than the theoretical minimum for O2 production [i.e. 4 mol é (mol O2)−1]. The discrepancy is explained by respiratory activity and non-photochemical electron requirements and the variability is discussed. In conclusion, the bio-optical method and derived electron requirement support conversion of ETR to units of C or O2, paving the road for improved spatial and temporal resolution of primary production estimates. PMID:26218096

Characteristics and influencing factors of tetrachloroethylene sorption-desorption on soil and its components.

PubMed

Qiu, Zhaofu; Yang, Weiwei; He, Long; Zhao, Zhexuan; Lu, Shuguang; Sui, Qian

2016-02-01

To investigate the effects of soil structure, soil organic carbon (SOC), minerals, initial tetrachloroethylene (PCE) concentration (C0), and ionic strength (Ci) on PCE sorption-desorption, six types of soil were adopted as adsorbents, including two types of natural soil and four types of soil with most of the "soft carbon" pre-treated by H2O2 or with all SOC removed from the original soil by 600 °C ignition. The results showed that all of the sorption-desorption isotherms of PCE were non-linear within the experimental range, and the H2O2-treated samples exhibited higher non-linear sorption isotherms than those of the original soils. The hysteresis index of PCE sorption to original soil is less pronounced than that of the H2O2-treated and 600 °C-heated samples due to the entrapment of sorbate molecules in the "hard carbon" domain, together with the meso- and microporous structures within the 600 °C-heated samples. Both SOC and minerals have impacts on the sorption-desorption of PCE, and the sorption-desorption contribution rate of minerals increased with decreasing SOC content. C0 has almost no influence on the sorption to minerals of the soils, but the contribution rate of minerals decreased with increasing C0 in the desorption stage. As a result of the salting-out effect, PCE sorption capacity was increased by increasing Ci, especially when Ci ≥ 0.1 M. Moreover, desorption increased and hysteresis weakened with increasing Ci, except for the 600 °C-heated samples. In addition, no significant effect of Ci on desorption of PCE and no hysteresis was observed in this experimental range for the 600 °C-heated samples. Copyright © 2015 Elsevier Ltd. All rights reserved.

Theoretical calculation of electron-positron momentum density in YBa 2Cu 3O 7-δ

NASA Astrophysics Data System (ADS)

Massidda, S.

1990-07-01

We present calculations of the electron-positron momentum density for the high- Tc superconductor YBa 2Cu 3O 7-δ for δ=0 and for the insulating parent compound YBa 2Cu 3O 6, based on first-principle electronic structure calculations performed within the local density approximation (LDA) using the full potential linearized augmented plane wave (FLAPW) method. Our results indicate a small overlap of the positron wave function with the CuO 2 plane electrons and, as a consequence, relatively small signals due to the related Fermi surfaces. By contrast, the present calculations show, after the folding of Umklapp terms according to Lock, Crisp and West, clear Fermi surface breaks arising from the Cu-O chain bands. No general agreement with existing experiments allows a clear definition of Fermi surface structures in the latter. A comparison of the calculated momentum with the experimental two-dimensional angular correlation of annihilation radiation (2D-ACAR) recently measured in Geneva shows an overall agreement for the insulating compound, despite the spurious LDA metallic state, and possibly suggests the importance of O vacancies in experiments performed on non-stoichiometric YBa 2Cu 3O 7-δ samples.

Linear game non-contextuality and Bell inequalities—a graph-theoretic approach

NASA Astrophysics Data System (ADS)

Rosicka, M.; Ramanathan, R.; Gnaciński, P.; Horodecki, K.; Horodecki, M.; Horodecki, P.; Severini, S.

2016-04-01

We study the classical and quantum values of a class of one- and two-party unique games, that generalizes the well-known XOR games to the case of non-binary outcomes. In the bipartite case the generalized XOR (XOR-d) games we study are a subclass of the well-known linear games. We introduce a ‘constraint graph’ associated to such a game, with the constraints defining the game represented by an edge-coloring of the graph. We use the graph-theoretic characterization to relate the task of finding equivalent games to the notion of signed graphs and switching equivalence from graph theory. We relate the problem of computing the classical value of single-party anti-correlation XOR games to finding the edge bipartization number of a graph, which is known to be MaxSNP hard, and connect the computation of the classical value of XOR-d games to the identification of specific cycles in the graph. We construct an orthogonality graph of the game from the constraint graph and study its Lovász theta number as a general upper bound on the quantum value even in the case of single-party contextual XOR-d games. XOR-d games possess appealing properties for use in device-independent applications such as randomness of the local correlated outcomes in the optimal quantum strategy. We study the possibility of obtaining quantum algebraic violation of these games, and show that no finite XOR-d game possesses the property of pseudo-telepathy leaving the frequently used chained Bell inequalities as the natural candidates for such applications. We also show this lack of pseudo-telepathy for multi-party XOR-type inequalities involving two-body correlation functions.

Threshold collision-induced dissociation of diatomic molecules: a case study of the energetics and dynamics of O2- collisions with Ar and Xe.

PubMed

Ahu Akin, F; Ree, Jongbaik; Ervin, Kent M; Kyu Shin, Hyung

2005-08-08

The energetics and dynamics of collision-induced dissociation of O2- with Ar and Xe targets are studied experimentally using guided ion-beam tandem mass spectrometry. The cross sections and the collision dynamics are modeled theoretically by classical trajectory calculations. Experimental apparent threshold energies are 2.1 and 1.1 eV in excess of the thermochemical O2- bond dissociation energy for argon and xenon, respectively. Classical trajectory calculations confirm the observed threshold behavior and the dependence of cross sections on the relative kinetic energy. Representative trajectories reveal that the bond dissociation takes place on a short time scale of about 50 fs in strong direct collisions. Collision-induced dissociation is found to be remarkably restricted to the perpendicular approach of ArXe to the molecular axis of O2-, while collinear collisions do not result in dissociation. The higher collisional energy-transfer efficiency of xenon compared with argon is attributed to both mass and polarizability effects.

The denitrification paradox: The role of O2 in sediment N2O production

NASA Astrophysics Data System (ADS)

Barnes, Jonathan; Upstill-Goddard, Robert C.

2018-01-01

We designed a novel laboratory sediment flux chamber in which we maintained the headspace O2 partial pressure at preselected values, allowing us to experimentally regulate "in-situ" O2 to evaluate its role in net N2O production by an intertidal estuarine sediment (Tyne, UK). In short-term (30 h) incubations with 10 L of overlying estuarine water (∼3 cm depth) and headspace O2 regulation (headspace: sediment/water ratio ∼9:1), net N2O production was highest at 1.2% O2 (sub-oxic; 32.3 nmol N2O m-2 d-1), an order of magnitude higher than at either 0.0% (anoxic; 2.5 N2O nmol m-2 d-1) or 20.85% (ambient; 2.3 nmol N2O m-2 d-1) O2. In a longer-term sealed incubation (∼490 h) without O2 control, time-dependent behaviour of N2O in the tank headspace was highly non-linear with time, showing distinct phases: (i) an initial period of no or little change in O2 or N2O up to ∼ 100 h; (ii) a quasi-linear, inverse correlation between O2 and N2O to ∼360 h, in which O2 declined to ∼2.1% and N2O rose to ∼7800 natm; (iii) over the following 50 h a slower O2 decline, to ∼1.1%, and a more rapid N2O increase, to ∼12000 natm; (iv) over the next 24 h a slowed O2 decline towards undetectable levels and a sharp fall in N2O to ∼4600 natm; (iv) a continued N2O decrease at zero O2, to ∼3000 natm by ∼ 490 h. These results show clearly that rapid N2O consumption (∼115 nmol m-2 d-1), presumably via heterotrophic denitrification (HD), occurs under fully anoxic conditions and therefore that N2O production, which was optimal for sub-oxic O2, results from other nitrogen transformation processes. In experiments in which we amended sediment overlying water to either 1 mM NH4+ or 1 mM NO3-, N2O production rates were 2-134 nmol N2O m-2 d-1 (NH4+ addition) and 0.4-2.2 nmol N2O m-2 d-1 (NO3- addition). We conclude that processes involving NH4+ oxidation (nitrifier nitrification; nitrifier denitrification; nitrification-coupled denitrification) are principally responsible for N2O production in Tyne sediments. Highest N2O production occurred under sub-oxic headspace (∼1.2 O2%) incubations. Anoxic sediments where HD was isolated acted as periodic N2O sinks or relatively small sources of N2O. Our experimental approach thus gives valuable insight into the O2 effect on N2O fluxes from intertidal sediments.

Development and application of a local linearization algorithm for the integration of quaternion rate equations in real-time flight simulation problems

NASA Technical Reports Server (NTRS)

Barker, L. E., Jr.; Bowles, R. L.; Williams, L. H.

1973-01-01

High angular rates encountered in real-time flight simulation problems may require a more stable and accurate integration method than the classical methods normally used. A study was made to develop a general local linearization procedure of integrating dynamic system equations when using a digital computer in real-time. The procedure is specifically applied to the integration of the quaternion rate equations. For this application, results are compared to a classical second-order method. The local linearization approach is shown to have desirable stability characteristics and gives significant improvement in accuracy over the classical second-order integration methods.

Distribution of Classical and Nonclassical Virulence Genes in Enterotoxigenic Escherichia coli Isolates from Chilean Children and tRNA Gene Screening for Putative Insertion Sites for Genomic Islands▿†

PubMed Central

Del Canto, Felipe; Valenzuela, Patricio; Cantero, Lidia; Bronstein, Jonathan; Blanco, Jesús E.; Blanco, Jorge; Prado, Valeria; Levine, Myron; Nataro, James; Sommerfelt, Halvor; Vidal, Roberto

2011-01-01

Enterotoxigenic Escherichia coli (ETEC) is an important cause of diarrhea. Three adhesins (Tia, TibA, EtpA), an iron acquisition system (Irp1, Irp2, and FyuA), a GTPase (LeoA), and an autotransporter (EatA) are ETEC virulence-related proteins that, in contrast to the classical virulence factors (enterotoxins and fimbrial colonization factors) have not heretofore been targets in characterizing isolates from epidemiological studies. Here, we determined the occurrence of these nonclassical virulence genes in 103 ETEC isolates from Chilean children with diarrhea and described their association with O serogroups and classical virulence determinants. Because tia, leoA, irp2, and fyuA are harbored by pathogenicity islands inserted into the selC and asnT tRNA genes (tDNAs), we analyzed the regions flanking these loci. Ten additional tDNAs were also screened to identify hot spots for genetic insertions. Associations between the most frequent serogroups and classical colonization factor (CF)-toxin profiles included O6/LT-STh/CS1-CS3-CS21 (i.e., O6 serogroup, heat-labile [LT] and human heat-stable [STh] enterotoxins, and CFs CS1, -3 and -21), O6/LT-STh/CS2-CS3-CS21, and O104-O127/STh/CFAI-CS21. The eatA and etpA genes were detected in more than 70% of the collection, including diverse serogroups and virulence profiles. Sixteen percent of the ETEC strains were negative for classical and nonclassical adhesins, suggesting the presence of unknown determinants of adhesion. The leuX, thrW, and asnT tDNAs were disrupted in more than 65% of strains, suggesting they are hot spots for the insertion of mobile elements. Sequences similar to integrase genes were identified next to the thrW, asnT, pheV, and selC tDNAs. We propose that the eatA and etpA genes should be included in characterizations of ETEC isolates in future epidemiological studies to determine their prevalence in other geographical regions. Sequencing of tDNA-associated genetic insertions might identify new ETEC virulence determinants. PMID:21775541

Thermal Convection in a Creeping Solid With Melting/Freezing Interfaces at Either or Both Boundaries

NASA Astrophysics Data System (ADS)

Labrosse, S.; Morison, A.; Deguen, R.; Alboussiere, T.; Tackley, P. J.; Agrusta, R.

2017-12-01

Thermal convection in the solid mantles of the Earth, other terrestrial planets and icy satellites sets in while it is still crystallising from a liquid layer (see abstract by Morison et al, this conference). The existence of an ocean (water or magma) either or both below and above the solid mantle modifies the conditions applying at the boundary since matter can flow through it by changing phase. Adapting the boundary conditions developed for the dynamics of the inner core by Deguen et al (GJI 2013) to the plane layer and the spherical shell, we solve the linear stability problem and obtain weakly non-linear solutions as well as direct numerical solutions in both geometries, with a liquid-solid phase change at either or both boundaries. The phase change boundary condition is controlled by a dimensionless number, Φ , which when small, allows easy flow through the boundary while the classical non-penetrating boundary condition is recovered for large values. If both boundaries have a phase change, the preferred wavelength of the flow is large, i.e. λ ∝Φ -1/2 in a plane layer and degree 1 in a spherical shell, and the critical Rayleigh number is of order Φ . The heat transfer efficiency, as measured by the dependence of the Nusselt number on the Rayleigh number also increases indefinitely for decreasing values of Φ . If only one boundary has a phase change condition, the critical wavelength is increased by about a factor 2 and the critical Rayleigh number is decreased by about a factor 4. The dynamics is controlled entirely by the boundary layer opposite to the phase change interface and the geometry of the flow. This model provides a natural explanation for the emergence of degree 1 convection in thin ice layers and implies a style of early mantle dynamics on Earth very different from what is classically envisioned.

Clinical application of the pO(2)-pCO(2) diagram.

PubMed

Paulev, P-E; Siggaard-Andersen, O

2004-10-01

Based on the classic, linear blood gas diagram a logarithmic blood gas map was constructed. The scales were extended by the use of logarithmic axes in order to allow for high patient values. Patients with lung disorders often have high arterial carbon dioxide tensions, and patients on supplementary oxygen typically respond with high oxygen tensions off the scale of the classic diagram. Two case histories illustrate the clinical application of the logarithmic blood gas map. Variables from the two patients were measured by the use of blood gas analysis equipment. Measured and calculated values are tabulated. The calculations were performed using the oxygen status algorithm. When interpreting the graph for a given patient it is recommended first to observe the location of the marker for the partial pressure of oxygen in inspired, humidified air (I) to see whether the patient is breathing atmospheric air or air with supplementary oxygen. Then observe the location of the arterial point (a) to see whether hypoxemia or hypercapnia appears to be the primary disturbance. Finally observe the alveolo-arterial oxygen tension difference to estimate the degree of veno-arterial shunting. If the mixed venous point (v) is available, then observe the value of the mixed venous oxygen tension. This is the most important indicator of global tissue hypoxia.

Linearization of digital derived rate algorithm for use in linear stability analysis

NASA Technical Reports Server (NTRS)

Graham, R. E.; Porada, T. W.

1985-01-01

The digital derived rate (DDR) algorithm is used to calculate the rate of rotation of the Centaur upper-stage rocket. The DDR is highly nonlinear algorithm, and classical linear stability analysis of the spacecraft cannot be performed without linearization. The performance of this rate algorithm is characterized by a gain and phase curve that drop off at the same frequency. This characteristic is desirable for many applications. A linearization technique for the DDR algorithm is investigated. The linearization method is described. Examples of the results of the linearization technique are illustrated, and the effects of linearization are described. A linear digital filter may be used as a substitute for performing classical linear stability analyses, while the DDR itself may be used in time response analysis.

Geometrical Phases in Quantum Mechanics

NASA Astrophysics Data System (ADS)

Christian, Joy Julius

In quantum mechanics, the path-dependent geometrical phase associated with a physical system, over and above the familiar dynamical phase, was initially discovered in the context of adiabatically changing environments. Subsequently, Aharonov and Anandan liberated this phase from the original formulation of Berry, which used Hamiltonians, dependent on curves in a classical parameter space, to represent the cyclic variations of the environments. Their purely quantum mechanical treatment, independent of Hamiltonians, instead used the non-trivial topological structure of the projective space of one-dimensional subspaces of an appropriate Hilbert space. The geometrical phase, in their treatment, results from a parallel transport of the time-dependent pure quantum states along a curve in this space, which is endowed with an abelian connection. Unlike Berry, they were able to achieve this without resort to an adiabatic approximation or to a time-independent eigenvalue equation. Prima facie, these two approaches are conceptually quite different. After a review of both approaches, an exposition bridging this apparent conceptual gap is given; by rigorously analyzing a model composite system, it is shown that, in an appropriate correspondence limit, the Berry phase can be recovered as a special case from the Aharonov-Anandan phase. Moreover, the model composite system is used to show that Berry's correction to the traditional Born-Oppenheimer energy spectra indeed brings the spectra closer to the exact results. Then, an experimental arrangement to measure geometrical phases associated with cyclic and non-cyclic variations of quantum states of an entangled composite system is proposed, utilizing the fundamental ideas of the recently opened field of two-particle interferometry. This arrangement not only resolves the controversy regarding the true nature of the phases associated with photon states, but also unequivocally predicts experimentally accessible geometrical phases in a truly quantum regime, and allows, for the first time, the measurements of such phases associated with arbitrary non-cyclic evolutions of entangled linear-momentum photon -states. This non-classical manifestation of the geometrical phases is due to the entangled character of linear-momentum photon-states of two correlated photons produced by parametric down-conversion in non-linear crystals. Finally, the non-local aspect of the geometrical phase is contrasted with the fundamental non-locality of quantum mechanics due to the entangled character of quantum states.

The role of molecular conformation and polarizable embedding for one- and two-photon absorption of disperse orange 3 in solution.

PubMed

Silva, Daniel L; Murugan, N Arul; Kongsted, Jacob; Rinkevicius, Zilvinas; Canuto, Sylvio; Ågren, Hans

2012-07-19

Solvent effects on the one- and two-photon absorption (1PA and 2PA) of disperse orange 3 (DO3) in dimethyl sulfoxide (DMSO) are studied using a discrete polarizable embedding (PE) response theory. The scheme comprises a quantum region containing the chromophore and an atomically granulated classical region for the solvent accounting for full interactions within and between the two regions. Either classical molecular dynamics (MD) or hybrid Car-Parrinello (CP) quantum/classical (QM/MM) molecular dynamics simulations are employed to describe the solvation of DO3 in DMSO, allowing for an analysis of the effect of the intermolecular short-range repulsion, long-range attraction, and electrostatic interactions on the conformational changes of the chromophore and also the effect of the solute-solvent polarization. PE linear response calculations are performed to verify the character, solvatochromic shift, and overlap of the two lowest energy transitions responsible for the linear absorption spectrum of DO3 in DMSO in the visible spectral region. Results of the PE linear and quadratic response calculations, performed using uncorrelated solute-solvent configurations sampled from either the classical or hybrid CP QM/MM MD simulations, are used to estimate the width of the line shape function of the two electronic lowest energy excited states, which allow a prediction of the 2PA cross-sections without the use of empirical parameters. Appropriate exchange-correlation functionals have been employed in order to describe the charge-transfer process following the electronic transitions of the chromophore in solution.

Incremental harmonic balance method for predicting amplitudes of a multi-d.o.f. non-linear wheel shimmy system with combined Coulomb and quadratic damping

NASA Astrophysics Data System (ADS)

Zhou, J. X.; Zhang, L.

2005-01-01

Incremental harmonic balance (IHB) formulations are derived for general multiple degrees of freedom (d.o.f.) non-linear autonomous systems. These formulations are developed for a concerned four-d.o.f. aircraft wheel shimmy system with combined Coulomb and velocity-squared damping. A multi-harmonic analysis is performed and amplitudes of limit cycles are predicted. Within a large range of parametric variations with respect to aircraft taxi velocity, the IHB method can, at a much cheaper cost, give results with high accuracy as compared with numerical results given by a parametric continuation method. In particular, the IHB method avoids the stiff problems emanating from numerical treatment of aircraft wheel shimmy system equations. The development is applicable to other vibration control systems that include commonly used dry friction devices or velocity-squared hydraulic dampers.

Electron kinetic effects on interferometry, polarimetry and Thomson scattering measurements in burning plasmas (invited).

PubMed

Mirnov, V V; Brower, D L; Den Hartog, D J; Ding, W X; Duff, J; Parke, E

2014-11-01

At anticipated high electron temperatures in ITER, the effects of electron thermal motion on Thomson scattering (TS), toroidal interferometer/polarimeter (TIP), and poloidal polarimeter (PoPola) diagnostics will be significant and must be accurately treated. The precision of the previous lowest order linear in τ = Te/mec(2) model may be insufficient; we present a more precise model with τ(2)-order corrections to satisfy the high accuracy required for ITER TIP and PoPola diagnostics. The linear model is extended from Maxwellian to a more general class of anisotropic electron distributions that allows us to take into account distortions caused by equilibrium current, ECRH, and RF current drive effects. The classical problem of the degree of polarization of incoherent Thomson scattered radiation is solved analytically exactly without any approximations for the full range of incident polarizations, scattering angles, and electron thermal motion from non-relativistic to ultra-relativistic. The results are discussed in the context of the possible use of the polarization properties of Thomson scattered light as a method of Te measurement relevant to ITER operational scenarios.

Quantum memories: emerging applications and recent advances

NASA Astrophysics Data System (ADS)

Heshami, Khabat; England, Duncan G.; Humphreys, Peter C.; Bustard, Philip J.; Acosta, Victor M.; Nunn, Joshua; Sussman, Benjamin J.

2016-11-01

Quantum light-matter interfaces are at the heart of photonic quantum technologies. Quantum memories for photons, where non-classical states of photons are mapped onto stationary matter states and preserved for subsequent retrieval, are technical realizations enabled by exquisite control over interactions between light and matter. The ability of quantum memories to synchronize probabilistic events makes them a key component in quantum repeaters and quantum computation based on linear optics. This critical feature has motivated many groups to dedicate theoretical and experimental research to develop quantum memory devices. In recent years, exciting new applications, and more advanced developments of quantum memories, have proliferated. In this review, we outline some of the emerging applications of quantum memories in optical signal processing, quantum computation and non-linear optics. We review recent experimental and theoretical developments, and their impacts on more advanced photonic quantum technologies based on quantum memories.

Electrical fatigue behaviour in lead zirconate titanate: an experimental and theoretical study

NASA Astrophysics Data System (ADS)

Bhattacharyya, Mainak; Arockiarajan, A.

2013-08-01

A systematic investigation on electrical fatigue in lead zirconate titanate (PZT) is carried out for different loading frequencies. Experiments are conducted up to 106 cycles to measure the electrical displacement and longitudinal strain on bulk ceramics in the bipolar mode with large electrical loading conditions. A simplified macroscopic model based on physical mechanisms of domain switching is developed to predict the non-linear behaviour. In this model, the volume fraction of a domain is used as the internal variable by considering the mechanisms of domain nucleation and propagation (domain wall movement). The measured material properties at different fatigue cycles are incorporated into the switching model as damage parameters and the classical strain versus electric field and electric displacement versus electric field curves are simulated. Comparison between the experiments and simulations shows that the proposed model can reproduce the characteristics of non-linear as well as fatigue responses.

Quantum memories: emerging applications and recent advances.

PubMed

Heshami, Khabat; England, Duncan G; Humphreys, Peter C; Bustard, Philip J; Acosta, Victor M; Nunn, Joshua; Sussman, Benjamin J

2016-11-12

Quantum light-matter interfaces are at the heart of photonic quantum technologies. Quantum memories for photons, where non-classical states of photons are mapped onto stationary matter states and preserved for subsequent retrieval, are technical realizations enabled by exquisite control over interactions between light and matter. The ability of quantum memories to synchronize probabilistic events makes them a key component in quantum repeaters and quantum computation based on linear optics. This critical feature has motivated many groups to dedicate theoretical and experimental research to develop quantum memory devices. In recent years, exciting new applications, and more advanced developments of quantum memories, have proliferated. In this review, we outline some of the emerging applications of quantum memories in optical signal processing, quantum computation and non-linear optics. We review recent experimental and theoretical developments, and their impacts on more advanced photonic quantum technologies based on quantum memories.

Quantum memories: emerging applications and recent advances

PubMed Central

Heshami, Khabat; England, Duncan G.; Humphreys, Peter C.; Bustard, Philip J.; Acosta, Victor M.; Nunn, Joshua; Sussman, Benjamin J.

2016-01-01

Quantum light–matter interfaces are at the heart of photonic quantum technologies. Quantum memories for photons, where non-classical states of photons are mapped onto stationary matter states and preserved for subsequent retrieval, are technical realizations enabled by exquisite control over interactions between light and matter. The ability of quantum memories to synchronize probabilistic events makes them a key component in quantum repeaters and quantum computation based on linear optics. This critical feature has motivated many groups to dedicate theoretical and experimental research to develop quantum memory devices. In recent years, exciting new applications, and more advanced developments of quantum memories, have proliferated. In this review, we outline some of the emerging applications of quantum memories in optical signal processing, quantum computation and non-linear optics. We review recent experimental and theoretical developments, and their impacts on more advanced photonic quantum technologies based on quantum memories. PMID:27695198

PORTS MINIMIZATION WITH MINI-PORT AND LIVER FLEXIBLE RETRACTOR: AN ERGONOMIC AND AESTHETIC ALTERNATIVE FOR SINGLE PORT IN LAPAROSCOPIC GASTRIC BYPASS

PubMed Central

de MOURA-JÚNIOR, Luiz Gonzaga; de CASTRO-FILHO, Heládio Feitosa; MACHADO, Francisco Heine Ferreira; BABADOPULOS, Rodrigo Feitosa; FEIJÓ, Francisca das Chagas; FERNANDES, Silvana Duarte

2014-01-01

Background The laparoscopic access, with its classically known benefits, pushed implementation in other components, better ergonomy and aesthetic aspect. Aim To minimize the number and diameter of traditional portals using miniport and flexible liver retractor on bariatric surgery. Method This prospective study was used in patients with less than 45 kg/m2, with peripheral fat, normal umbilicus implantation, without previous abdominoplasties. Were used one 30o optical device with 5 mm in diameter, four accesses (one mini of 3 mm to the left hand of the surgeon, one of 5 mm to the right hand alternating with optics, one of 12 mm for umbilical for surgical maneuvers as dissection, clipping, in/out of gauze, and one portal of 5 mm for the assistant surgeon), resulting in a total of 25 mm linear incision; additionally, one flexible liver retractor (covered with a nelaton probe to protect the liver parenchyma, anchored in the right diaphragmatic pillar and going out through the surgeon left portal) to visualize the esophagogastric angle. Results In selected patients (48 operations), gastric bypass was performed at a similar time to the procedures with larger diameters (5 or 6 portals and 10 mm optics, with sum of linear incision of 42 mm) including oversuture line on excluded stomach, gastric tube and mesenteric closing. The non sutured portal of 3 mm and the two of 5 mm with subdermal sutures, were hardly visible in the folds of the skin; the one of 12 mm was buried inside the umbilicus or in the abdominoplasty incision. Conclusion Minimizing portals is safe, effective, good ergonomic alternative with satisfactory aesthetic profile without need for specific instruments, new learning curve and limited movement of the instruments, as required by the single port. PMID:25409973

Activation of a Ca2+-dependent cation conductance with properties of TRPM2 by reactive oxygen species in lens epithelial cells.

PubMed

Keckeis, Susanne; Wernecke, Laura; Salchow, Daniel J; Reichhart, Nadine; Strauß, Olaf

2017-08-01

Ion channels are crucial for maintenance of ion homeostasis and transparency of the lens. The lens epithelium is the metabolically and electrophysiologically active cell type providing nutrients, ions and water to the lens fiber cells. Ca 2+ -dependent non-selective ion channels seem to play an important role for ion homeostasis. The aim of the study was to identify and characterize Ca 2+ - and reactive oxygen species (ROS)-dependent non-selective cation channels in human lens epithelial cells. RT-PCR revealed gene expression of the Ca 2+ -activated non-selective cation channels TRPC3, TRPM2, TRPM4 and Ano6 in both primary lens epithelial cells and the cell line HLE-B3, whereas TRPM5 mRNA was only found in HLE-B3 cells. Using whole-cell patch-clamp technique, ionomycin evoked non-selective cation currents with linear current-voltage relationship in both cell types. The current was decreased by flufenamic acid (FFA), 2-APB, 9-phenanthrol and miconazole, but insensitive to DIDS, ruthenium red, and intracellularly applied spermine. H 2 O 2 evoked a comparable current, abolished by FFA. TRPM2 protein expression in HLE-B3 cells was confirmed by means of immunocytochemistry and western blot. In summary, we conclude that lens epithelial cells functionally express Ca 2+ - and H 2 O 2 -activated non-selective cation channels with properties of TRPM2. Copyright © 2017. Published by Elsevier Ltd.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Helfer, Thomas; Marsh, David J.E.; Clough, Katy

The classical equations of motion for an axion with potential V (φ)= m {sub a} {sup 2} f {sub a} {sup 2} [1−cos (φ/ f {sub a} )] possess quasi-stable, localized, oscillating solutions, which we refer to as ''axion stars''. We study, for the first time, collapse of axion stars numerically using the full non-linear Einstein equations of general relativity and the full non-perturbative cosine potential. We map regions on an ''axion star stability diagram', parameterized by the initial ADM mass, M {sub ADM}, and axion decay constant, f {sub a} . We identify three regions of the parameter space:more » i) long-lived oscillating axion star solutions, with a base frequency, m {sub a} , modulated by self-interactions, ii) collapse to a BH and iii) complete dispersal due to gravitational cooling and interactions. We locate the boundaries of these three regions and an approximate ''triple point' ( M {sub TP}, f {sub TP}) ∼ (2.4 M {sub pl}{sup 2}/ m {sub a} ,0.3 M {sub pl}). For f {sub a} below the triple point BH formation proceeds during winding (in the complex U(1) picture) of the axion field near the dispersal phase. This could prevent astrophysical BH formation from axion stars with f {sub a} || M {sub pl}. For larger f {sub a} ∼> f {sub TP}, BH formation occurs through the stable branch and we estimate the mass ratio of the BH to the stable state at the phase boundary to be O(1) within numerical uncertainty. We discuss the observational relevance of our findings for axion stars as BH seeds, which are supermassive in the case of ultralight axions. For the QCD axion, the typical BH mass formed from axion star collapse is M {sub BH} ∼ 3.4 ( f {sub a} /0.6 M {sub pl}){sup 1.2} M {sub ⊙}.« less

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7

PubMed Central

Tokiwa, Y.; Yamashita, T.; Udagawa, M.; Kittaka, S.; Sakakibara, T; Terazawa, D.; Shimoyama, Y.; Terashima, T.; Yasui, Y.; Shibauchi, T.; Matsuda, Y.

2016-01-01

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids. PMID:26912080

Possible observation of highly itinerant quantum magnetic monopoles in the frustrated pyrochlore Yb2Ti2O7.

PubMed

Tokiwa, Y; Yamashita, T; Udagawa, M; Kittaka, S; Sakakibara, T; Terazawa, D; Shimoyama, Y; Terashima, T; Yasui, Y; Shibauchi, T; Matsuda, Y

2016-02-25

The low-energy elementary excitations in frustrated quantum magnets have fascinated researchers for decades. In frustrated Ising magnets on a pyrochlore lattice possessing macroscopically degenerate spin-ice ground states, the excitations have been discussed in terms of classical magnetic monopoles, which do not contain quantum fluctuations. Here we report unusual behaviours of magneto-thermal conductivity in the disordered spin-liquid regime of pyrochlore Yb2Ti2O7, which hosts frustrated spin-ice correlations with large quantum fluctuations owing to pseudospin-1/2 of Yb ions. The analysis of the temperature and magnetic field dependencies shows the presence of gapped elementary excitations. We find that the gap energy is largely suppressed from that expected in classical monopoles. Moreover, these excitations propagate a long distance without being scattered, in contrast to the diffusive nature of classical monopoles. These results suggests the emergence of highly itinerant quantum magnetic monopole, which is a heavy quasiparticle that propagates coherently in three-dimensional spin liquids.

Structure and coherence of reasoning ability in Down Syndrome adults and typically developing children.

PubMed

Natsopoulo, D; Christou, C; Koutselini, M; Raftopoulos, A; Karefillidou, C

2002-01-01

The present study investigates the ability of Down Syndrome (DS) adults to reason: (a) deductively with transitivity (linear and reverse relations) and categorical syllogisms (all-some relations); (b) inductively with classical verbal analogies and non-verbal analogical reasoning (Raven's Coloured Progressive Matrices); and (c) to retain information in short-term memory. The results have shown that: (i) The Down Syndrome adults did not differ from typically developing children, matched on expressive and verbal ability, in transitivity and non-verbal analogical thinking; (ii) they differed in categorical reasoning, classical verbal analogies and short-term memory. Application of a structural model demonstrated that, despite differences in slope means in the three measures, the structure of functioning within-and-across all domains of cognition tests and its growth pattern, equally reliable and coherent, goes in parallel for the Down Syndrome adults and the typically developing children. The results are discussed within the context of the two-group developmental and difference approach.

Photon correlation study of background suppressed single InGaN nanocolumns

NASA Astrophysics Data System (ADS)

Yamamoto, Takatoshi; Maekawa, Michiru; Imanishi, Yusuke; Ishizawa, Shunsuke; Nakaoka, Toshihiro; Kishino, Katsumi

2016-04-01

We report on a linearly polarized non-classical light emission from a single InGaN/GaN nanocolumn, which is a site-controlled nanostructure allowing for pixel-like large-scale integration. We have developed a shadow mask technique to reduce background emissions arising from nitride deposits around single nanocolumns and defect states of GaN. The signal to background ratio is improved from 0.5:1 to 10:1, which allows for detailed polarization-dependent measurement and photon-correlation measurements. Polarization-dependent measurements show that linearly polarized emissions arise from excitonic recombination involving a heavy-hole-like electronic state, corresponding to the bulk exciton of an in-plane polarized A exciton. The second-order coherence function at time zero g (2)(0) is 0.52 at 20 K without background correction. This value is explained in terms of a statistical mixture of a single-photon emission with residual weak background emissions, as well as efficient carrier injection from other localized states.

Quantum reflection in the linearly downward potential

NASA Astrophysics Data System (ADS)

Chamnan, N.; Krunavakarn, B.

2017-09-01

In this work, the motion of a particle in one dimension under the influence of the linearly downward potential well is studied within the context of the non-relativistic quantum mechanics. The attention is paid on the paradoxical phenomenon of the reflection of a particle that is in contrast between classical and quantum physics. Classically, the reflection effect occurs only at a potential barrier. To demonstrate such counter-intuitive phenomenon, the Schrödinger equation is solved to obtain the reflection coefficient in the scattering state by considering an incident particle that is represented by a monochromatic plane wave having an energy E > 0, propagates freely from left to right, pass through the potential well. The continuity conditions at boundaries give the desired result that is expressed in terms of the Airy functions which depends on the incident energy E, the strength jV 0 j and the range L of the well. The value of the reflection coefficient R lies in the interval 0 < R < 1, and its behavior is the decreasing function with respect to the range L.

Broadband nonvolatile photonic switching based on optical phase change materials: beyond the classical figure-of-merit.

PubMed

Zhang, Qihang; Zhang, Yifei; Li, Junying; Soref, Richard; Gu, Tian; Hu, Juejun

2018-01-01

In this Letter, we propose a broadband, nonvolatile on-chip switch design in the telecommunication C-band with record low loss and crosstalk. The unprecedented device performance builds on: 1) a new optical phase change material (O-PCM) Ge 2 Sb 2 Se 4 Te 1 (GSST), which exhibits significantly reduced optical attenuation compared to traditional O-PCMs, and 2) a nonperturbative design that enables low-loss device operation beyond the classical figure-of-merit (FOM) limit. We further demonstrate that the 1-by-2 and 2-by-2 switches can serve as basic building blocks to construct nonblocking and nonvolatile on-chip switching fabric supporting arbitrary numbers of input and output ports.

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE PAGES

Wu, M.; Xin, Houlin L.; Wang, J. O.; ...

2018-04-24

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Investigation of the multiplet features of SrTiO 3 in X-ray absorption spectra based on configuration interaction calculations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wu, M.; Xin, Houlin L.; Wang, J. O.

Synchrotron-based L 2,3-edge absorption spectra show strong sensitivities to the local electronic structure and chemical environment. However, detailed physical information cannot be extracted easily without computational aids. Here in this study using the experimental Ti L 2,3-edges absorption spectrum of SrTiO 3as a fingerprint and considering full multiplet effects, calculations yield different energy parameters characterizing local ground state properties. The peak splitting and intensity ratios of the L 3 and L 2 set of peaks are carefully analyzed quantitatively, giving rise to a small hybridization energy around 1.2 eV, and the different hybridization energy values reported in the literature aremore » further addressed. Finally, absorption spectra with different linearly polarized photons under various tetragonal crystal fields are investigated, revealing a non-linear orbital–lattice interaction, and a theoretical guidance for material engineering of SrTiO 3-based thin films and heterostructures is offered. Finally, detailed analysis of spectrum shifts with different tetragonal crystal fields suggests that the e g crystal field splitting is a necessary parameter for a thorough analysis of the spectra, even though it is not relevant for the ground state properties.« less

Dispersion Relations for Proton Relaxation in Solid Dielectrics

NASA Astrophysics Data System (ADS)

Kalytka, V. A.; Korovkin, M. V.

2017-04-01

Frequency-temperature spectra of the complex permittivity are studied for proton semiconductors and dielectrics using the methods of a quasi-classical kinetic theory of dielectric relaxation (the Boltzmann kinetic theory) in the linear approximation with respect to the polarizing field in the radio frequency range at temperatures T = 50-450 K. The effect of the quantum transitions of protons on the Debye dispersion relations is taken into account for crystals with hydrogen bonds (HBC) at low temperatures (50-100 K). The diffusion coefficients and the mobilities under electrical transfer of protons in the HBCs are constructed at high temperatures (100-350 K) in a non-linear approximation with respect to the polarizing field.

Quantifying non-linear dynamics of mass-springs in series oscillators via asymptotic approach

NASA Astrophysics Data System (ADS)

Starosta, Roman; Sypniewska-Kamińska, Grażyna; Awrejcewicz, Jan

2017-05-01

Dynamical regular response of an oscillator with two serially connected springs with nonlinear characteristics of cubic type and governed by a set of differential-algebraic equations (DAEs) is studied. The classical approach of the multiple scales method (MSM) in time domain has been employed and appropriately modified to solve the governing DAEs of two systems, i.e. with one- and two degrees-of-freedom. The approximate analytical solutions have been verified by numerical simulations.

Severe Craniofacial Involvement due to Amniotic Band Sequence.

PubMed

Becerra-Solano, Luis Eduardo; Castañeda-Cisneros, Gema; Corona-Rivera, Jorge Roman; Díaz-Rodríguez, Manuel; Figuera, Luis Eduardo; López-Muñoz, Eunice; Nastasi-Catanese, José Antonio; Toscano-Flores, José Jesús; Ramírez-Dueñas, María de Lourdes; García-Ortíz, José Elias

2018-02-01

Disruptive amniotic band sequence (DABS) is a sporadic, non-familial disorder with unclear etiology. Diagnosis is based on clinical features because there is currently no reliable laboratory diagnostic tests. We describe six cases of DABS with severe craniofacial deformations, three with and three without classical constrictive limb deformation. The craniofacial deformities were delimited by peripheral sharply demarcated scarring. When a sharply demarcated linear disruptive craniofacial lesion is observed, DABS should be considered despite the absence of constrictive limb scarring.

A Large Response Range Reflectometric Urea Biosensor Made from Silica-Gel Nanoparticles

PubMed Central

Alqasaimeh, Muawia; Heng, Lee Yook; Ahmad, Musa; Raj, A.S. Santhana; Ling, Tan Ling

2014-01-01

A new silica-gel nanospheres (SiO2NPs) composition was formulated, followed by biochemical surface functionalization to examine its potential in urea biosensor development. The SiO2NPs were basically synthesized based on sol–gel chemistry using a modified Stober method. The SiO2NPs surfaces were modified with amine (-NH2) functional groups for urease immobilization in the presence of glutaric acid (GA) cross-linker. The chromoionophore pH-sensitive dye ETH 5294 was physically adsorbed on the functionalized SiO2NPs as pH transducer. The immobilized urease determined urea concentration reflectometrically based on the colour change of the immobilized chromoionophore as a result of the enzymatic hydrolysis of urea. The pH changes on the biosensor due to the catalytic enzyme reaction of immobilized urease were found to correlate with the urea concentrations over a linear response range of 50–500 mM (R2 = 0.96) with a detection limit of 10 mM urea. The biosensor response time was 9 min with reproducibility of less than 10% relative standard deviation (RSD). This optical urea biosensor did not show interferences by Na+, K+, Mg2+ and NH4+ ions. The biosensor performance has been validated using urine samples in comparison with a non-enzymatic method based on the use of p-dimethylaminobenzaldehyde (DMAB) reagent and demonstrated a good correlation between the two different methods (R2 = 0.996 and regression slope of 1.0307). The SiO2NPs-based reflectometric urea biosensor showed improved dynamic linear response range when compared to other nanoparticle-based optical urea biosensors. PMID:25054632

Modelling (18)O2 and (16)O2 unidirectional fluxes in plants. III: fitting of experimental data by a simple model.

PubMed

André, Marcel J

2013-08-01

Photosynthetic assimilation of CO2 in plants results in the balance between the photochemical energy developed by light in chloroplasts, and the consumption of that energy by the oxygenation processes, mainly the photorespiration in C3 plants. The analysis of classical biological models shows the difficulties to bring to fore the oxygenation rate due to the photorespiration pathway. As for other parameters, the most important key point is the estimation of the electron transport rate (ETR or J), i.e. the flux of biochemical energy, which is shared between the reductive and oxidative cycles of carbon. The only reliable method to quantify the linear electron flux responsible for the production of reductive energy is to directly measure the O2 evolution by (18)O2 labelling and mass spectrometry. The hypothesis that the respective rates of reductive and oxidative cycles of carbon are only determined by the kinetic parameters of Rubisco, the respective concentrations of CO2 and O2 at the Rubisco site and the available electron transport rate, ultimately leads to propose new expressions of biochemical model equations. The modelling of (18)O2 and (16)O2 unidirectional fluxes in plants shows that a simple model can fit the photosynthetic and photorespiration exchanges for a wide range of environmental conditions. Its originality is to express the carboxylation and the oxygenation as a function of external gas concentrations, by the definition of a plant specificity factor Sp that mimics the internal reactions of Rubisco in plants. The difference between the specificity factors of plant (Sp) and of Rubisco (Sr) is directly related to the conductance values to CO2 transfer between the atmosphere and the Rubisco site. This clearly illustrates that the values and the variation of conductance are much more important, in higher C3 plants, than the small variations of the Rubisco specificity factor. The simple model systematically expresses the reciprocal variations of carboxylation and oxygenation exchanges illustrated by a "mirror effect". It explains the protective sink effect of photorespiration, e.g. during water stress. The importance of the CO2 compensation point, in classical models, is reduced at the benefit of the crossing points Cx and Ox, concentration values where carboxylation and oxygenation are equal or where the gross O2 uptake is half of the gross O2 evolution. This concept is useful to illustrate the feedback effects of photorespiration in the atmosphere regulation. The constancy of Sp and of Cx for a great variation of P under several irradiance levels shows that the regulation of the conductance maintains constant the internal CO2 and the ratio of photorespiration to photosynthesis (PR/P). The maintenance of the ratio PR/P, in conditions of which PR could be reduced and the carboxylation increased, reinforces the hypothesis of a positive role of photorespiration and its involvement in the plant-atmosphere co-evolution. Copyright © 2012 Elsevier Ireland Ltd. All rights reserved.

Highly-Bioreactive Silica-Based Mesoporous Bioactive Glasses Enriched with Gallium(III)

PubMed Central

Malavasi, Gianluca; Lusvardi, Gigliola; Menabue, Ledi

2018-01-01

Beneficial effects in bone cell growth and antibacterial action are currently attributed to Ga3+ ions. Thus, they can be used to upgrade mesoporous bioactive glasses (MBGs), investigated for tissue engineering, whenever they released therapeutic amounts of gallium ions to the surrounding medium. Three gallium-enriched MBGs with composition (in mol %) xSiO2–yCaO–zP2O5–5Ga2O3, being x = 70, y = 15, z = 10 for Ga_1; x = 80, y = 12, z = 3 for Ga_2; and x = 80, y = 15, z = 0 for Ga_3, were investigated and compared with the gallium-free 80SiO2–15CaO–5P2O5 MBG (B). 29Si and 31P MAS NMR analyses indicated that Ga3+ acts as network modifier in the glass regions with higher polymerization degree and as network former in the zones with high concentration of classical modifiers (Ca2+ ions). Ga_1 and Ga_2 exhibited a quick in vitro bioactive response because they were coated by an apatite-like layer after 1 and 3 days in simulated body fluid. Although we have not conducted biological tests in this paper (cells or bacteria), Ga_1 released high but non-cytotoxic amounts of Ga3+ ions in Todd Hewitt Broth culture medium that were 140 times higher than the IC90 of Pseudomonas aeruginosa bacteria, demonstrating its potential for tissue engineering applications. PMID:29498654

Approximate non-linear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-03-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.

Development of Curved-Plate Elements for the Exact Buckling Analysis of Composite Plate Assemblies Including Transverse Shear Effects

NASA Technical Reports Server (NTRS)

McGowan, David M.; Anderson, Melvin S.

1998-01-01

The analytical formulation of curved-plate non-linear equilibrium equations that include transverse-shear-deformation effects is presented. A unified set of non-linear strains that contains terms from both physical and tensorial strain measures is used. Using several simplifying assumptions, linearized, stability equations are derived that describe the response of the plate just after bifurcation buckling occurs. These equations are then modified to allow the plate reference surface to be located a distance z(c), from the centroid surface which is convenient for modeling stiffened-plate assemblies. The implementation of the new theory into the VICONOPT buckling and vibration analysis and optimum design program code is described. Either classical plate theory (CPT) or first-order shear-deformation plate theory (SDPT) may be selected in VICONOPT. Comparisons of numerical results for several example problems with different loading states are made. Results from the new curved-plate analysis compare well with closed-form solution results and with results from known example problems in the literature. Finally, a design-optimization study of two different cylindrical shells subject to uniform axial compression is presented.

Low phonon energies and wideband optical windows of La2O3-Ga2O3 glasses prepared using an aerodynamic levitation technique.

PubMed

Yoshimoto, Kohei; Masuno, Atsunobu; Ueda, Motoi; Inoue, Hiroyuki; Yamamoto, Hiroshi; Kawashima, Tastunori

2017-03-30

xLa 2 O 3 -(100 - x)Ga 2 O 3 binary glasses were synthesized by an aerodynamic levitation technique. The glass-forming region was found to be 20 ≤ x ≤ 57. The refractive indices were greater than 1.92 and increased linearly with increasing x. The polarizabilities of oxide ions were estimated to be 2.16-2.41 Å 3 , indicating that the glasses were highly ionic. The glasses were transparent over a very wide range from the ultraviolet to the mid-infrared region. The widest transparent window among the oxide glasses was from 270 nm to 10 μm at x = 55. From the Raman scattering spectra, a decrease in bridging oxide ions and an increase in non-bridging oxide ions were confirmed to occur with increasing La 2 O 3 content. The maximum phonon energy was found to be approximately 650 cm -1 , being one of the lowest among oxide glasses. These results show that La 2 O 3 -Ga 2 O 3 binary glasses should be promising host materials for optical applications such as lenses, windows, and filters over a very wide wavelength range.

Low phonon energies and wideband optical windows of La2O3-Ga2O3 glasses prepared using an aerodynamic levitation technique

PubMed Central

Yoshimoto, Kohei; Masuno, Atsunobu; Ueda, Motoi; Inoue, Hiroyuki; Yamamoto, Hiroshi; Kawashima, Tastunori

2017-01-01

xLa2O3-(100 − x)Ga2O3 binary glasses were synthesized by an aerodynamic levitation technique. The glass-forming region was found to be 20 ≤ x ≤ 57. The refractive indices were greater than 1.92 and increased linearly with increasing x. The polarizabilities of oxide ions were estimated to be 2.16–2.41 Å3, indicating that the glasses were highly ionic. The glasses were transparent over a very wide range from the ultraviolet to the mid-infrared region. The widest transparent window among the oxide glasses was from 270 nm to 10 μm at x = 55. From the Raman scattering spectra, a decrease in bridging oxide ions and an increase in non-bridging oxide ions were confirmed to occur with increasing La2O3 content. The maximum phonon energy was found to be approximately 650 cm−1, being one of the lowest among oxide glasses. These results show that La2O3-Ga2O3 binary glasses should be promising host materials for optical applications such as lenses, windows, and filters over a very wide wavelength range. PMID:28358112

Low phonon energies and wideband optical windows of La2O3-Ga2O3 glasses prepared using an aerodynamic levitation technique

NASA Astrophysics Data System (ADS)

Yoshimoto, Kohei; Masuno, Atsunobu; Ueda, Motoi; Inoue, Hiroyuki; Yamamoto, Hiroshi; Kawashima, Tastunori

2017-03-01

xLa2O3-(100 - x)Ga2O3 binary glasses were synthesized by an aerodynamic levitation technique. The glass-forming region was found to be 20 ≤ x ≤ 57. The refractive indices were greater than 1.92 and increased linearly with increasing x. The polarizabilities of oxide ions were estimated to be 2.16-2.41 Å3, indicating that the glasses were highly ionic. The glasses were transparent over a very wide range from the ultraviolet to the mid-infrared region. The widest transparent window among the oxide glasses was from 270 nm to 10 μm at x = 55. From the Raman scattering spectra, a decrease in bridging oxide ions and an increase in non-bridging oxide ions were confirmed to occur with increasing La2O3 content. The maximum phonon energy was found to be approximately 650 cm-1, being one of the lowest among oxide glasses. These results show that La2O3-Ga2O3 binary glasses should be promising host materials for optical applications such as lenses, windows, and filters over a very wide wavelength range.

Statistical modeling of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2.

PubMed

Ushakov, Vladimir G; Troe, Jürgen; Johnson, Ryan S; Guo, Hua; Ard, Shaun G; Melko, Joshua J; Shuman, Nicholas S; Viggiano, Albert A

2015-08-14

The rates of the reactions Fe(+) + N2O → FeO(+) + N2 and FeO(+) + CO → Fe(+) + CO2 are modeled by statistical rate theory accounting for energy- and angular momentum-specific rate constants for formation of the primary and secondary cationic adducts and their backward and forward reactions. The reactions are both suggested to proceed on sextet and quartet potential energy surfaces with efficient, but probably not complete, equilibration by spin-inversion of the populations of the sextet and quartet adducts. The influence of spin-inversion on the overall reaction rate is investigated. The differences of the two reaction rates mostly are due to different numbers of entrance states (atom + linear rotor or linear rotor + linear rotor, respectively). The reaction Fe(+) + N2O was studied either with (6)Fe(+) or with (4)Fe(+) reactants. Differences in the rate constants of (6)Fe(+) and (4)Fe(+) reacting with N2O are attributed to different contributions from electronically excited potential energy surfaces, such as they originate from the open-electronic shell reactants.

Manganese-cerium oxide catalysts prepared by non-thermal plasma for NO oxidation: Effect of O2 in discharge atmosphere

NASA Astrophysics Data System (ADS)

Liu, Lu; Zheng, Chenghang; Wu, Shenghao; Gao, Xiang; Ni, Mingjiang; Cen, Kefa

2017-09-01

Non-thermal plasma with different O2 concentration in discharge atmosphere was applied to synthesize manganese and cerium mixed-oxides catalysts, which were compared in NO oxidation activity. Discharge atmosphere displayed a crucial influence on the performance of the catalysts prepared by plasma. Relatively low O2 concentration in discharge atmosphere allows synthesizing manganese-cerium oxides catalysts in a moderate environment and therefore is favorable for better physicochemical properties which lead to superior catalytic behavior. The best catalyst was obtained by treatment with 10% O2/N2 plasma and presented over 80% NO conversion in the temperature range of 275-325 °C, whereas catalyst prepared in pure O2 discharge atmosphere had the same activity with a catalyst prepared by calcinations. A correlation between the surface properties of the plasma prepared catalysts and its catalytic activity in NO oxidation is proposed. The amount of the surface adsorbed oxygen has an obvious linear correlation with the amount of Ce3+, the H2 consumption at low temperatures and the catalytic performance. The superior catalytic performance is mainly attributed to the stronger interaction between manganese oxides and ceria, and the formation of poorly crystallized Mn-O-Ce phase in the catalyst which resulted from the slow decomposition of nitrates and organics during plasma treatment. Catalysts prepared in relatively low O2 concentration have large specific surface area and is abundant in Ce3+ species and active oxygen species. The study suggests that plasma treatment with proper discharge gas components is a promising method to prepare effective manganese- cerium oxides catalyst for NO oxidation.

Optically induced circular and axial birefringences in achiral fluids: an ab initio study of the optical Faraday effect

NASA Astrophysics Data System (ADS)

Baranowska, Angelika; Rizzo, Antonio; Coriani, Sonia

2006-07-01

A computational analysis of the effects (intensity-dependent change in the refractive index and the optical Faraday effect, OFE) induced in an achiral fluid by circularly polarized, linearly polarized or unpolarized light is presented. The connection between the molecular parameters appearing in the expression of the observable, as derived by Woźniak in the 1990s, and the appropriate linear and cubic frequency dependent response functions is made for the general case of both chiral and non-chiral fluid. The parameters which are non-vanishing in the case of achiral systems are then computed employing a coupled cluster singles and doubles wave function model and a wide choice of correlation consistent basis sets, for a set of reference systems, including a rare gas (neon), a non-dipolar (N2) and a dipolar (CO) molecule. Contributions due to magnetic and quadrupolar interactions between the fields and the gases are neglected, since they are in principle of much less importance than the purely electric dipolar interactions. Nevertheless a rough estimate of their size is given. The aim of the study is to assess the detectability of OFE. To this end, the ab initio results are compared with those obtained in this work for the closely related optical Kerr effect (OKE) and with those yielded by the classical Faraday effect.

Non-Perturbative Renormalization of the Lattice Heavy Quark Classical Velocity

NASA Astrophysics Data System (ADS)

Mandula, Jeffrey E.; Ogilvie, Michael C.

1997-02-01

We discuss the renormalization of the lattice formulation of the Heavy Quark Effective Theory (LHQET). In addition to wave function and composite operator renormalizations, on the lattice the classical velocity is also renormalized. The origin of this renormalization is the reduction of Lorentz (or O(4)) invariance to (hyper)cubic invariance. We present results of a new, direct lattice simulation of this finite renormalization, and compare the results to the perturbative (one loop) result. The simulation results are obtained with the use of a variationally optimized heavy-light meson operator, using an ensemble of lattices provided by the Fermilab ACP-MAPS collaboration.

Extracting surface diffusion coefficients from batch adsorption measurement data: application of the classic Langmuir kinetics model.

PubMed

Chu, Khim Hoong

2017-11-09

Surface diffusion coefficients may be estimated by fitting solutions of a diffusion model to batch kinetic data. For non-linear systems, a numerical solution of the diffusion model's governing equations is generally required. We report here the application of the classic Langmuir kinetics model to extract surface diffusion coefficients from batch kinetic data. The use of the Langmuir kinetics model in lieu of the conventional surface diffusion model allows derivation of an analytical expression. The parameter estimation procedure requires determining the Langmuir rate coefficient from which the pertinent surface diffusion coefficient is calculated. Surface diffusion coefficients within the 10 -9 to 10 -6  cm 2 /s range obtained by fitting the Langmuir kinetics model to experimental kinetic data taken from the literature are found to be consistent with the corresponding values obtained from the traditional surface diffusion model. The virtue of this simplified parameter estimation method is that it reduces the computational complexity as the analytical expression involves only an algebraic equation in closed form which is easily evaluated by spreadsheet computation.

Dipolar order by disorder in the classical Heisenberg antiferromagnet on the kagome lattice

NASA Astrophysics Data System (ADS)

Chern, Gia-Wei

2014-03-01

The first experiments on the ``kagome bilayer'' SCGO triggered a wave of interest in kagome antiferromagnets in particular, and frustrated systems in general. A cluster of early seminal theoretical papers established kagome magnets as model systems for novel ordering phenomena, discussing in particular spin liquidity, partial order, disorder-free glassiness and order by disorder. Despite significant recent progress in understanding the ground state for the quantum S = 1 / 2 model, the nature of the low-temperature phase for the classical kagome Heisenberg antiferromagnet has remained a mystery: the non-linear nature of the fluctuations around the exponentially numerous harmonically degenerate ground states has not permitted a controlled theory, while its complex energy landscape has precluded numerical simulations at low temperature. Here we present an efficient Monte Carlo algorithm which removes the latter obstacle. Our simulations detect a low-temperature regime in which correlations saturate at a remarkably small value. Feeding these results into an effective model and analyzing the results in the framework of an appropriate field theory implies the presence of long-range dipolar spin order with a tripled unit cell.

Tug-of-war between classical and multicenter bonds in H-(Be)n-H species

NASA Astrophysics Data System (ADS)

Lundell, Katie A.; Boldyrev, Alexander I.

2018-05-01

Quantum chemical calculations were performed for beryllium homocatenated compounds [H-(Be)n-H]. Global minimum structures were found using machine searches (Coalescence Kick method) with density functional theory. Chemical bonding analysis was performed with the Adaptive Natural Density Partitioning method. It was found that H-(Be)2-H and H-(Be)3-H clusters are linear with classical two-center two-electron bonds, while for n > 3, three-dimensional structures are more stable with multicenter bonding. Thus, at n = 4, multicenter bonding wins the tug-of-war vs. the classical bonding.

A novel 3D framework indium phosphite-oxalate based on a pcu-type topology

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zuo, Mengmeng; Zhou, Mingdong; Hu, Dianwen

2016-05-15

A new inorganic–organic hybrid indium phosphite-oxalate, formulated as H[In{sub 5}(HPO{sub 3}){sub 6}(H{sub 2}PO{sub 3}){sub 2}(C{sub 2}O{sub 4}){sub 2}]·(C{sub 4}N{sub 2}H{sub 11}){sub 2}·H{sub 2}O 1 has been hydrothermally synthesized in the presence of piperazine acting as a structure directing agent (SDA). The single crystal X-ray diffraction reveals that compound 1 shows three-dimensional open-framework with intersecting 12-ring channels along the [010] and [001] directions, which is constructed from strictly alternating double 6-ring units (D6Rs), [C{sub 2}O{sub 4}]{sup 2−} groups and [H{sub 2}PO{sub 3}]{sup −} pseudo-pyramids. It is noted that the classical D6R SBU is firstly reported in main metal phosphite/phosphite-oxalate. By regardingmore » D6R as the 6-connected nodes, the inorganic–organic hybrid framework is based on a pcu-type topology. The as-synthesized product was characterized by single-crystal X-ray diffraction, powder X-ray diffraction, IR spectroscopy, thermogravimetric analysis (TGA), ICP-AES and elemental analyses. - Graphical abstract: A 3D open-framework indium phosphite-oxalate has been synthesized under hydrothermal conditions. A classical SBU, D6R, is present in the structure. By regarding D6R as the 6-connected nodes, the inorganic–organic hybrid framework is based on a pcu-type topology. - Highlights: • A new indium phosphite-oxalate based on a pcu-type topology has been synthesized. • A classical SBU, D6R, is present in the structure. • The classical SBU is firstly reported in main metal phosphite/phosphite-oxalate.« less

Tunable THz polariton laser based on 1342  nm wavelength for enhanced terahertz wave extraction.

PubMed

Lee, Andrew J; Spence, David J; Pask, Helen M

2017-07-15

We detail the operation of a THz laser source based on non-linear stimulated polariton scattering (SPS) in Mg:LiNbO₃. This system utilizes a fundamental wavelength of 1342 nm to completely avoid the negative effect of free-carrier generation within high-resistivity silicon (Si) prisms used to extract THz radiation from the Mg:LiNbO₃ crystal. THz power of up to 23.6 μW (62.3 μW when chopped at 50% duty cycle) was detected at 1.33 THz, and frequency tunability across the range 1.05-2.2 THz was achieved.

Estrogens Induce Rapid Cytoskeleton Re-Organization in Human Dermal Fibroblasts via the Non-Classical Receptor GPR30

PubMed Central

Carnesecchi, Julie; Malbouyres, Marilyne; de Mets, Richard; Balland, Martial; Beauchef, Gallic; Vié, Katell; Chamot, Christophe; Lionnet, Claire; Ruggiero, Florence; Vanacker, Jean-Marc

2015-01-01

The post-menopausal decrease in estrogen circulating levels results in rapid skin deterioration pointing out to a protective effect exerted by these hormones. The identity of the skin cell type responding to estrogens is unclear as are the cellular and molecular processes they elicit. Here, we reported that lack of estrogens induces rapid re-organization of the human dermal fibroblast cytoskeleton resulting in striking cell shape change. This morphological change was accompanied by a spatial re-organization of focal adhesion and a substantial reduction of their number as evidenced by vinculin and actin co-staining. Cell morphology and cytoskeleton organization was fully restored upon 17β-estradiol (E2) addition. Treatment with specific ER antagonists and cycloheximide respectively showed that the E2 acts independently of the classical Estrogen Receptors and that cell shape change is mediated by non-genomic mechanisms. E2 treatment resulted in a rapid and transient activation of ERK1/2 but not Src or PI3K. We show that human fibroblasts express the non-classical E2 receptor GPR30 and that its agonist G-1 phenocopies the effect of E2. Inhibiting GPR30 through treatment with the G-15 antagonist or specific shRNA impaired E2 effects. Altogether, our data reveal a novel mechanism by which estrogens act on skin fibroblast by regulating cell shape through the non-classical G protein-coupled receptor GPR30 and ERK1/2 activation. PMID:25781607

Estrogens induce rapid cytoskeleton re-organization in human dermal fibroblasts via the non-classical receptor GPR30.

PubMed

Carnesecchi, Julie; Malbouyres, Marilyne; de Mets, Richard; Balland, Martial; Beauchef, Gallic; Vié, Katell; Chamot, Christophe; Lionnet, Claire; Ruggiero, Florence; Vanacker, Jean-Marc

2015-01-01

The post-menopausal decrease in estrogen circulating levels results in rapid skin deterioration pointing out to a protective effect exerted by these hormones. The identity of the skin cell type responding to estrogens is unclear as are the cellular and molecular processes they elicit. Here, we reported that lack of estrogens induces rapid re-organization of the human dermal fibroblast cytoskeleton resulting in striking cell shape change. This morphological change was accompanied by a spatial re-organization of focal adhesion and a substantial reduction of their number as evidenced by vinculin and actin co-staining. Cell morphology and cytoskeleton organization was fully restored upon 17β-estradiol (E2) addition. Treatment with specific ER antagonists and cycloheximide respectively showed that the E2 acts independently of the classical Estrogen Receptors and that cell shape change is mediated by non-genomic mechanisms. E2 treatment resulted in a rapid and transient activation of ERK1/2 but not Src or PI3K. We show that human fibroblasts express the non-classical E2 receptor GPR30 and that its agonist G-1 phenocopies the effect of E2. Inhibiting GPR30 through treatment with the G-15 antagonist or specific shRNA impaired E2 effects. Altogether, our data reveal a novel mechanism by which estrogens act on skin fibroblast by regulating cell shape through the non-classical G protein-coupled receptor GPR30 and ERK1/2 activation.

High-density amorphous ice: A path-integral simulation

NASA Astrophysics Data System (ADS)

Herrero, Carlos P.; Ramírez, Rafael

2012-09-01

Structural and thermodynamic properties of high-density amorphous (HDA) ice have been studied by path-integral molecular dynamics simulations in the isothermal-isobaric ensemble. Interatomic interactions were modeled by using the effective q-TIP4P/F potential for flexible water. Quantum nuclear motion is found to affect several observable properties of the amorphous solid. At low temperature (T = 50 K) the molar volume of HDA ice is found to increase by 6%, and the intramolecular O-H distance rises by 1.4% due to quantum motion. Peaks in the radial distribution function of HDA ice are broadened with respect to their classical expectancy. The bulk modulus, B, is found to rise linearly with the pressure, with a slope ∂B/∂P = 7.1. Our results are compared with those derived earlier from classical and path-integral simulations of HDA ice. We discuss similarities and discrepancies with those earlier simulations.

D and 18O enrichment measurements in biological fluids in a continuous-flow elemental analyser with an isotope-ratio mass spectrometer using two configurations.

PubMed

Ripoche, N; Ferchaud-Roucher, V; Krempf, M; Ritz, P

2006-09-01

In doubly labelled water studies, biological sample enrichments are mainly measured using off-line techniques (equilibration followed by dual-inlet introduction) or high-temperature elemental analysis (HT-EA), coupled with an isotope-ratio mass spectrometer (IRMS). Here another continuous-flow method, (CF-EA/IRMS), initially dedicated to water, is tested for plasma and urine analyses. The elemental analyser configuration is adapted for each stable isotope: chromium tube for deuterium reduction and glassy carbon reactor for 18O pyrolysis. Before on-line conversion of water into gas, each matrix is submitted to a short and easy treatment, which is the same for the analysis of the two isotopes. Plasma is passed through centrifugal filters. Urine is cleaned with black carbon and filtered (0.45 microm diameter). Tested between 150 and 300 ppm in these fluids, the D/H ratio response is linear with good repeatability (SD<0.2 ppm) and reproducibility (SD<0.5 ppm). For 18O/16O ratios (from 2000 to 2200 ppm), the same repeatability is obtained with a between-day precision lower than 1.4 ppm. The accuracy on biological samples is validated by comparison to classical dual-inlet methods: 18O analyses give more accurate results. The data show that enriched physiological fluids can be successfully analysed in CF-EA/IRMS. Copyright (c) 2006 John Wiley & Sons, Ltd.

Observational study of differences in head position for high notes in famous classical and non-classical male singers.

PubMed

Amarante Andrade, Pedro; Švec, Jan G

2016-07-01

Differences in classical and non-classical singing are due primarily to aesthetic style requirements. The head position can affect the sound quality. This study aimed at comparing the head position for famous classical and non-classical male singers performing high notes. Images of 39 Western classical and 34 non-classical male singers during live performances were obtained from YouTube. Ten raters evaluated the frontal rotational head position (depression versus elevation) and transverse head position (retraction versus protraction) visually using a visual analogue scale. The results showed a significant difference for frontal rotational head position. Most non-classical singers in the sample elevated their heads for high notes while the classical singers were observed to keep it around the neutral position. This difference may be attributed to different singing techniques and phonatory system adjustments utilized by each group.

(Carbonyl-1κC)bis-[2,3(η)-cyclo-penta-dien-yl][μ(3)-(S-methyl trithio-carbonato)methylidyne-1:2:3κC,S'':C:C](triphenyl-phosphine-1κP)(μ(3)-sulfido-1:2:3κS)dicobalt(II)iron(II) trifluoro-methane-sulfonate.

PubMed

Manning, Anthony R; McAdam, C John; Palmer, Anthony J; Simpson, Jim

2008-04-10

The asymmetric unit of the title compound, [FeCo(2)(C(5)H(5))(2)(C(3)H(3)S(3))S(C(18)H(15)P)(CO)]CF(3)SO(3), consists of a triangular irondicobalt cluster cation and a trifluoro-methane-sulfonate anion. In the cation, the FeCo(2) triangle is symmetrically capped on one face by an S atom and on the other by a C atom linked to a methyl trithio-carbonate residue that bridges the Fe-C bond. Each Co atom carries a cyclo-penta-dienyl ligand while the Fe atom coordinates to one carbonyl and one triphenyl-phosphine ligand. In the crystal structure, the cation is linked to the anion by a number of weak non-classical C-H⋯O and C-H⋯F hydrogen bonds and weak S⋯O (3.317 Å) and S⋯F (3.198 Å) inter-actions. The structure is further stabilized by additional inter-molecular C-H⋯O, C-H⋯F and O⋯O (2.942 Å) contacts, together with an unusual S⋯π(Cp) inter-action (S⋯centroid distance = 3.385 Å), generating an extended network.

Elastic properties and short-range structural order in mixed network former glasses.

PubMed

Wang, Weimin; Christensen, Randilynn; Curtis, Brittany; Hynek, David; Keizer, Sydney; Wang, James; Feller, Steve; Martin, Steve W; Kieffer, John

2017-06-21

Elastic properties of alkali containing glasses are of great interest not only because they provide information about overall structural integrity but also they are related to other properties such as thermal conductivity and ion mobility. In this study, we investigate two mixed-network former glass systems, sodium borosilicate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)SiO 2 ] and sodium borogermanate 0.2Na 2 O + 0.8[xBO 1.5 + (1 - x)GeO 2 ] glasses. By mixing network formers, the network topology can be changed while keeping the network modifier concentration constant, which allows for the effect of network structure on elastic properties to be analyzed over a wide parametric range. In addition to non-linear, non-additive mixed-glass former effects, maxima are observed in longitudinal, shear and Young's moduli with increasing atomic number density. By combining results from NMR spectroscopy and Brillouin light scattering with a newly developed statistical thermodynamic reaction equilibrium model, it is possible to determine the relative proportions of all network structural units. This new analysis reveals that the structural characteristic predominantly responsible for effective mechanical load transmission in these glasses is a high density of network cations coordinated by four or more bridging oxygens, as it provides for establishing a network of covalent bonds among these cations with connectivity in three dimensions.

Nonlinear optical properties of TeO2-P2 O5- ZnO-LiNbO3 glass doped with Er3+ ions

NASA Astrophysics Data System (ADS)

Miedzinski, R.; Fuks-Janczarek, I.; El Sayed Said, Y.

2016-10-01

A series of lithium niobate LiNbO3 (LN) single crystals doped with Er3+ were grown under the same conditions by melt-quenching method. The distribution coefficients of rare-earth (RE) elements in the "crystal-melt" system of LN were determined at the beginning of the crystal growth. Their dependence on the dopant concentration in melt for 0.4 and 0.8 wt % was investigated. The procedure is applied to RE-doped lithium niobate (LiNbO3), a material of great interest for optoelectronic applications. We have obtained the real χR(3) and imaginary parts χI(3) of the third-order, nonlinear optical susceptibility to the nonlinear refractive index n2 and the nonlinear absorption coefficient β that are valid for absorbing systems. We show that nonlinear refractive or absorptive effects are the consequence of the interplay between the real and imaginary parts of the third-order susceptibilities of the materials. The method for measuring non-linear absorption coefficients and nonlinear refractive index based on well-known Z-scan is presented.

Pressure dependence of thermal physical properties of A-type R2O3 (R=Y, La): A first-principles study

NASA Astrophysics Data System (ADS)

Li, Y. F.; Xiao, B.; Sun, L.; Gao, Y. M.; Ma, S. Q.; Yi, D. W.

2017-04-01

The mechanical, electronic and thermal physical properties of A-type R2O3 (R=Y, La) under hydrostatic pressure are studied by first-principles calculations. The calculated band gap is 6.3 eV (5.9 eV) for Y2O3 (La2O3). Under hydrostatic pressure, both phases show anisotropic elasticity in different crystallographic directions. The isothermal bulk modulus of R2O3 decreases monotonically with the increasing of temperature from 300 K to 1500 K. The intrinsic ductile nature of both phases is confirmed by the obtained B/G ratio. The temperature dependence of linear TECs of La2O3 is stronger than that of Y2O3, and the linear TECs in [001] direction show larger values in both phases than those in [010] direction. At room temperature, the average linear TECs for Y2O3 and La2O3 are 8.40×10-6 K-1 and 8.42×10-6 K-1, respectively. Other thermal physical properties such as specific heats (CV, and CP), entropy (S), sound velocity and Debye temperature are also obtained.

Application of Linear Discriminant Analysis in Dimensionality Reduction for Hand Motion Classification

NASA Astrophysics Data System (ADS)

Phinyomark, A.; Hu, H.; Phukpattaranont, P.; Limsakul, C.

2012-01-01

The classification of upper-limb movements based on surface electromyography (EMG) signals is an important issue in the control of assistive devices and rehabilitation systems. Increasing the number of EMG channels and features in order to increase the number of control commands can yield a high dimensional feature vector. To cope with the accuracy and computation problems associated with high dimensionality, it is commonplace to apply a processing step that transforms the data to a space of significantly lower dimensions with only a limited loss of useful information. Linear discriminant analysis (LDA) has been successfully applied as an EMG feature projection method. Recently, a number of extended LDA-based algorithms have been proposed, which are more competitive in terms of both classification accuracy and computational costs/times with classical LDA. This paper presents the findings of a comparative study of classical LDA and five extended LDA methods. From a quantitative comparison based on seven multi-feature sets, three extended LDA-based algorithms, consisting of uncorrelated LDA, orthogonal LDA and orthogonal fuzzy neighborhood discriminant analysis, produce better class separability when compared with a baseline system (without feature projection), principle component analysis (PCA), and classical LDA. Based on a 7-dimension time domain and time-scale feature vectors, these methods achieved respectively 95.2% and 93.2% classification accuracy by using a linear discriminant classifier.

Nonlocal Symmetries, Conservation Laws and Interaction Solutions of the Generalised Dispersive Modified Benjamin-Bona-Mahony Equation

NASA Astrophysics Data System (ADS)

Yan, Xue-Wei; Tian, Shou-Fu; Dong, Min-Jie; Wang, Xiu-Bin; Zhang, Tian-Tian

2018-05-01

We consider the generalised dispersive modified Benjamin-Bona-Mahony equation, which describes an approximation status for long surface wave existed in the non-linear dispersive media. By employing the truncated Painlevé expansion method, we derive its non-local symmetry and Bäcklund transformation. The non-local symmetry is localised by a new variable, which provides the corresponding non-local symmetry group and similarity reductions. Moreover, a direct method can be provided to construct a kind of finite symmetry transformation via the classic Lie point symmetry of the normal prolonged system. Finally, we find that the equation is a consistent Riccati expansion solvable system. With the help of the Jacobi elliptic function, we get its interaction solutions between solitary waves and cnoidal periodic waves.

Single-machine common/slack due window assignment problems with linear decreasing processing times

NASA Astrophysics Data System (ADS)

Zhang, Xingong; Lin, Win-Chin; Wu, Wen-Hsiang; Wu, Chin-Chia

2017-08-01

This paper studies linear non-increasing processing times and the common/slack due window assignment problems on a single machine, where the actual processing time of a job is a linear non-increasing function of its starting time. The aim is to minimize the sum of the earliness cost, tardiness cost, due window location and due window size. Some optimality results are discussed for the common/slack due window assignment problems and two O(n log n) time algorithms are presented to solve the two problems. Finally, two examples are provided to illustrate the correctness of the corresponding algorithms.

Synthesis, linear and nonlinear optical properties of phosphonato-substituted bithiophenes derived from 2,2'-biphenol.

PubMed

Freeman, Jason L; Zhao, Qun; Zhang, Yuanli; Wang, Jianwei; Lawson, Christopher M; Gray, Gary M

2013-10-21

Two new series of phosphonato-substituted bithiophenes, BpP(X)(C4H2S)2H and BpP(X)(C4H2S)2P(X)Bp (Bp = 2,2'-C12H8O2, X = O, S, Se), have been synthesized and characterized using linear absorption and emission spectra, and third-order nonlinear absorption measurements at 430 nm with 27 ps laser pulses. The compounds were synthesized in three steps: (1) reacting lithiated bithiophene with (Et2N)2PCl; (2) reacting the product from the first step with biphenol; and (3) reacting the product from the second step with the appropriate chalcogen. The X-ray crystal structures of two of the compounds, BpP(O)(C4H2S)2P(O)Bp and BpP(Se)(C4H2S)2P(Se)Bp, are reported and show a number of intermolecular π-π interactions. The linear absorption spectra, emission spectra, and emission quantum yields show distinct trends with respect to the chalcogen and the number of phosphorus substituents attached to the 2,2'-bithiophene ring. The compounds show emission maxima at wavelengths ranging from 380-400 nm and, BpP(S)(C4H2S)2H shows a 23-fold increase in fluorescence quantum yield relative to that of 2,2'-bithiophene. Fluorescence lifetimes and radiative and non-radiative decay rate constants for the first singlet excited state have been extracted from the quantum yields using time-dependent DFT calculations. Nonlinear transmission measurements indicate that all of the compounds show nonlinear absorption at 430 nm with 27 ps laser pulses in spite of their low solubilities. Notably, the nonlinear absorption threshold of a 0.16 mol L(-1) CH2Cl2 solution of BpP(Se)(C4H2S)2H is 0.9 J cm(-2). The excellent emission quantum yields and good nonlinear absorptions make these compounds promising candidates for optical power limiting applications and as host materials for violet-blue organic light emitting diodes.

The origin of three-cocycles in quantum field theory

NASA Astrophysics Data System (ADS)

Carey, A. L.

1987-08-01

When quantising a classical field theory it is not automatic that a group of symmetries of the classical system is preserved as a symmetry of the quantum system. Apart from the phenomenon of symmetry breaking it can also happen (as in Faddeev's Gauss law anomaly) that only an extension of the classical group acts as a symmetry group of the quantum system. We show here that rather than signalling a failure of the associative law as has been suggested in the literature, the occurrence of a non-trivial three-cocycle on the local gauge group is an ``anomaly'' or obstruction to the existence of an extension of the local gauge group acting as a symmetry group of the quantum system. Permanent address: Department of Pure Mathematics, University of Adelaide, G.P.O. Box 498, Adelaide, SA 5000, Australia.

Fast synthesis of porous NiCo2O4 hollow nanospheres for a high-sensitivity non-enzymatic glucose sensor

NASA Astrophysics Data System (ADS)

Huang, Wei; Cao, Yang; Chen, Yong; Peng, Juan; Lai, Xiaoyong; Tu, Jinchun

2017-02-01

In this paper, we report the fast synthesis of porous NiCo2O4 hollow nanospheres via a polycrystalline Cu2O-templated route based on the elaborately designed "coordinating etching and precipitating" process. The composition and morphology of the porous NiCo2O4 hollow nanospheres were characterized by X-ray diffraction, scanning electron microscopy, transmission electron microscopy, and X-ray photoelectron spectroscopy. The electron-transfer capability and electrocatalytic activity of the materials were investigated by electrochemical impedance spectroscopy and cyclic voltammetry. NiCo2O4 was endowed with superior electron-transfer capability, large surface area, and abundant intrinsic redox couples of Ni2+/Ni3+ and Co2+/Co3+ ions; thus, the modified electrode exhibited excellent glucose-sensing properties, with a high sensitivity of 1917 μA·mM-1·cm-2 at a low concentration, a good linear range from 0.01 mM to 0.30 mM and from 0.30 mM to 2.24 mM, and a low detection limit of 0.6 μM (S/N = 3).

Influence of europium (Eu3+) ions on the optical properties of boro tellurite glasses

NASA Astrophysics Data System (ADS)

Devaraja, C.; Gowda, G. V. Jagadeesha; Eraiah, B.

2018-05-01

The influence of Eu3+ ions on the Optical properties of Boro Tellurite Glasses of (70-x) B2O3-15TeO2-10Na2O- 5PbO-xEu2O3 with x = 0, 0.1, 0.2, 0.3, 0.4 and 0.5 mol% glasses were prepared by conventional melt quenching method and their physical and optical properties were investigated by using UV absorption spectra, which was recorded at room temperature in the UV-visible region of wavelength 200-1100 nm. By the absorption edge studies, the values of optical bandgap energies have been evaluated. The direct and indirect bandgap values ranges between 3.362 to 3.650 eV and 2.011 to 2.863 eV respectively. The refractive index, molar refraction and polarizability of oxide ions have been calculated by using Lorentz-Lorentz relations. The refractive index and molar refraction values were ranges from 2.241 to 2.358 and 76.147 to 79.915 cm3 respectively. The non-linear variations of the above optical parameters were discussed with respect to small variation of europium (Eu3+) ion concentration.

Glass-to-metal seals comprising relatively high expansion metals

NASA Technical Reports Server (NTRS)

Hirayama, C. (Inventor)

1974-01-01

A glass suitable for glass-to-metal seals that has a resistance to attack by moisture and a high coefficient of linear thermal expansion is introduced. Linear expansion covers the range from 12 to 14 x 10 to the minus 6 C between room temperature and 500 C. The glass is essentially composed of, by molar percent, about 9% of K2O, about 10% of Na2O, about 70% of SiO2, about 6% Al2O3, and about 5% of MgO.

Neutral oxygen spectral line formation revisited with new collisional data: large departures from LTE at low metallicity

NASA Astrophysics Data System (ADS)

Fabbian, D.; Asplund, M.; Barklem, P. S.; Carlsson, M.; Kiselman, D.

2009-06-01

Aims: A detailed study is presented, including estimates of the impact on elemental abundance analysis, of the non-local thermodynamic equilibrium (non-LTE) formation of the high-excitation neutral oxygen 777 nm triplet in model atmospheres representative of stars with spectral types F to K. Methods: We have applied the statistical equilibrium code MULTI to a number of plane-parallel MARCS atmospheric models covering late-type stars (4500 ≤ T_eff ≤ 6500 K, 2 ≤ log g ≤ 5 [cgs], and -3.5 ≤ [Fe/H] ≤ 0). The atomic model employed includes, in particular, recent quantum-mechanical electron collision data. Results: We confirm that the O i triplet lines form under non-LTE conditions in late-type stars, suffering negative abundance corrections with respect to LTE. At solar metallicity, the non-LTE effect, mainly attributed in previous studies to photon losses in the triplet itself, is also driven by an additional significant contribution from line opacity. At low metallicity, the very pronounced departures from LTE are due to overpopulation of the lower level (3s ^5S^o) of the transition. Large line opacity stems from triplet-quintet intersystem electron collisions, a form of coupling previously not considered or seriously underestimated. The non-LTE effects generally become severe for models (both giants and dwarfs) with higher T_eff. Interestingly, in metal-poor turn-off stars, the negative non-LTE abundance corrections tend to rapidly become more severe towards lower metallicity. When neglecting H collisions, they amount to as much as |Δlog ɛ_O| ~ 0.9 dex and ~1.2 dex, respectively at [Fe/H] = -3 and [Fe/H] = -3.5. Even when such collisions are included, the LTE abundance remains a serious overestimate, correspondingly by |Δlog ɛ_O| ~ 0.5 dex and ~0.9 dex at such low metallicities. Although the poorly known inelastic hydrogen collisions thus remain an important uncertainty, the large metallicity-dependent non-LTE effects seem to point to a resulting “low” (compared to LTE) [O/Fe] in metal-poor halo stars. Conclusions: Our results may be important in solving the long-standing [O/Fe] debate. When applying the derived non-LTE corrections, the LTE oxygen abundance inferred from the 777 nm permitted triplet will be decreased substantially at low metallicity. If the classical Drawin formula is employed for O+H collisions, the derived [O/Fe] trend becomes almost flat below [Fe/H] ~ -1, in better agreement with recent literature estimates generally obtained from other oxygen abundance indicators. A value of [O/Fe] ⪉ +0.5 may therefore be appropriate, as suggested by standard theoretical models of type II supernovae nucleosynthetic yields. If neglecting impacts with H atoms instead, [O/Fe] decreases towards lower [Fe/H], which would open new questions. Our tests using ATLAS model atmospheres show that, though non-LTE corrections for metal-poor dwarfs are smaller (by ~0.2 dex when adopting efficient H collisions) than in the MARCS case, our main conclusions are preserved, and that the LTE approach tends to seriously overestimate the O abundance at low metallicity. However, in order to finally reach consistency between oxygen abundances from the different available spectral features, it is of high priority to reduce the large uncertainty regarding H collisions, to undertake a full investigation of the interplay of non-LTE and 3D effects, and to clarify the issue of the temperature scale at low metallicity.

Magnetic properties of Zn1-xNixO

NASA Astrophysics Data System (ADS)

Mondal, A.; Giri, N.; Sarkar, S.; Ray, Ruma

2018-05-01

Ni doped ZnO (Zn1-xNixO for 0.01 ≤ x ≤ 0.11) have been prepared by chemical precipitation method. X-ray diffraction corroborates a hexagonal wurzite structure without any impurity phases upto 11% Ni doping. Morphology of the particles is investigated by FE-SEM which exhibits either rod or tube like structure depending on the dopant concentration. Magnetization of Zn1-xNixO for 0.03 ≤ x ≤ 0.11 measured at room temperature infers the paramagnetic behavior. Zero field cooled and field cooled magnetization for x = 0.11 follows Curie-Weiss behavior above 122 K with effective paramagnetic moment 3.9μB. The non-linear magnetic hysteresis loop at 2 K with a small coercivity (300 Oe) indicates signature of ferromagnetic ordering.

TI-59 Programs for Multiple Regression.

DTIC Science & Technology

1980-05-01

general linear hypothesis model of full rank [ Graybill , 19611 can be written as Y = x 8 + C , s-N(O,o 2I) nxl nxk kxl nxl where Y is the vector of n...a "reduced model " solution, and confidence intervals for linear functions of the coefficients can be obtained using (x’x) and a2, based on the t...O107)l UA.LLL. Library ModuIe NASTER -Puter 0NTINA Cards 1 PROGRAM DESCRIPTION (s s 2 ror the general linear hypothesis model Y - XO + C’ calculates

Stochastic inflation in phase space: is slow roll a stochastic attractor?

DOE Office of Scientific and Technical Information (OSTI.GOV)

Grain, Julien; Vennin, Vincent, E-mail: julien.grain@ias.u-psud.fr, E-mail: vincent.vennin@port.ac.uk

An appealing feature of inflationary cosmology is the presence of a phase-space attractor, ''slow roll'', which washes out the dependence on initial field velocities. We investigate the robustness of this property under backreaction from quantum fluctuations using the stochastic inflation formalism in the phase-space approach. A Hamiltonian formulation of stochastic inflation is presented, where it is shown that the coarse-graining procedure—where wavelengths smaller than the Hubble radius are integrated out—preserves the canonical structure of free fields. This means that different sets of canonical variables give rise to the same probability distribution which clarifies the literature with respect to this issue.more » The role played by the quantum-to-classical transition is also analysed and is shown to constrain the coarse-graining scale. In the case of free fields, we find that quantum diffusion is aligned in phase space with the slow-roll direction. This implies that the classical slow-roll attractor is immune to stochastic effects and thus generalises to a stochastic attractor regardless of initial conditions, with a relaxation time at least as short as in the classical system. For non-test fields or for test fields with non-linear self interactions however, quantum diffusion and the classical slow-roll flow are misaligned. We derive a condition on the coarse-graining scale so that observational corrections from this misalignment are negligible at leading order in slow roll.« less