New correction procedures for the fast field program which extend its range

NASA Technical Reports Server (NTRS)

West, M.; Sack, R. A.

1990-01-01

A fast field program (FFP) algorithm was developed based on the method of Lee et al., for the prediction of sound pressure level from low frequency, high intensity sources. In order to permit accurate predictions at distances greater than 2 km, new correction procedures have had to be included in the algorithm. Certain functions, whose Hankel transforms can be determined analytically, are subtracted from the depth dependent Green's function. The distance response is then obtained as the sum of these transforms and the Fast Fourier Transformation (FFT) of the residual k dependent function. One procedure, which permits the elimination of most complex exponentials, has allowed significant changes in the structure of the FFP algorithm, which has resulted in a substantial reduction in computation time.

Transformation kinetics for the shock wave induced phase transition in cadmium sulfide crystals

NASA Astrophysics Data System (ADS)

Knudson, M. D.; Gupta, Y. M.

2002-06-01

Initial stage kinetics of the cadmium sulfide (CdS) phase transition was investigated using picosecond time-resolved electronic spectroscopy in plate-impact shock wave experiments. Real-time changes in the electronic spectra were observed, with 100 ps time resolution, in CdS single crystals shocked along a and c axes to stresses ranging between 35 and 90 kbar, which is above the phase-transition threshold stress of approximately 30 kbar. Significant difference in the transformation kinetics was observed for the two crystal orientations. At sufficiently high instantaneous stress, above approximately 60 to 70 kbar for a axis and 50 kbar for c axis, transformation to a metastable state appears to reach a constant state within the 100 ps time resolution. At lower instantaneous stresses, an incubation period on the order of several nanoseconds is observed prior to the onset of electronic changes that mark the onset of the structural change. The subsequent increase in absorbance was quite rapid, with a constant state being reached within the first few nanoseconds after the onset of the structural changes. These results suggest that the nucleation process determines the transformation rate. This insight into transformation kinetics, along with the transformation mechanism obtained from the high-stress experiments, was used to develop a phenomenological model, incorporating ideas of nucleation and growth in martensitic transformations, to simulate the time-dependent extinction of light observed in our experiments. The calculational results incorporating both extinction due to light absorption by the daughter phase volumes and scattering of light by small volumes of the daughter phase were in good agreement with experimental observations. Finally, the orientational differences observed in the transformation kinetics were interpreted in terms of the differences in the elastic-plastic response for the two orientations.

Spatio-temporal modelling of wind speed variations and extremes in the Caribbean and the Gulf of Mexico

NASA Astrophysics Data System (ADS)

Rychlik, Igor; Mao, Wengang

2018-02-01

The wind speed variability in the North Atlantic has been successfully modelled using a spatio-temporal transformed Gaussian field. However, this type of model does not correctly describe the extreme wind speeds attributed to tropical storms and hurricanes. In this study, the transformed Gaussian model is further developed to include the occurrence of severe storms. In this new model, random components are added to the transformed Gaussian field to model rare events with extreme wind speeds. The resulting random field is locally stationary and homogeneous. The localized dependence structure is described by time- and space-dependent parameters. The parameters have a natural physical interpretation. To exemplify its application, the model is fitted to the ECMWF ERA-Interim reanalysis data set. The model is applied to compute long-term wind speed distributions and return values, e.g., 100- or 1000-year extreme wind speeds, and to simulate random wind speed time series at a fixed location or spatio-temporal wind fields around that location.

The short time Fourier transform and local signals

NASA Astrophysics Data System (ADS)

Okumura, Shuhei

In this thesis, I examine the theoretical properties of the short time discrete Fourier transform (STFT). The STFT is obtained by applying the Fourier transform by a fixed-sized, moving window to input series. We move the window by one time point at a time, so we have overlapping windows. I present several theoretical properties of the STFT, applied to various types of complex-valued, univariate time series inputs, and their outputs in closed forms. In particular, just like the discrete Fourier transform, the STFT's modulus time series takes large positive values when the input is a periodic signal. One main point is that a white noise time series input results in the STFT output being a complex-valued stationary time series and we can derive the time and time-frequency dependency structure such as the cross-covariance functions. Our primary focus is the detection of local periodic signals. I present a method to detect local signals by computing the probability that the squared modulus STFT time series has consecutive large values exceeding some threshold after one exceeding observation following one observation less than the threshold. We discuss a method to reduce the computation of such probabilities by the Box-Cox transformation and the delta method, and show that it works well in comparison to the Monte Carlo simulation method.

Quadratic time dependent Hamiltonians and separation of variables

NASA Astrophysics Data System (ADS)

Anzaldo-Meneses, A.

2017-06-01

Time dependent quantum problems defined by quadratic Hamiltonians are solved using canonical transformations. The Green's function is obtained and a comparison with the classical Hamilton-Jacobi method leads to important geometrical insights like exterior differential systems, Monge cones and time dependent Gaussian metrics. The Wei-Norman approach is applied using unitary transformations defined in terms of generators of the associated Lie groups, here the semi-direct product of the Heisenberg group and the symplectic group. A new explicit relation for the unitary transformations is given in terms of a finite product of elementary transformations. The sequential application of adequate sets of unitary transformations leads naturally to a new separation of variables method for time dependent Hamiltonians, which is shown to be related to the Inönü-Wigner contraction of Lie groups. The new method allows also a better understanding of interacting particles or coupled modes and opens an alternative way to analyze topological phases in driven systems.

Use of metallic glasses for fabrication of structures with submicron dimensions

DOEpatents

Wiley, John D.; Perepezko, John H.

1986-01-01

Patterned structures of submicron dimension formed of supported or unsupported amorphous metals having submicron feature sizes characterized by etching behavior sufficient to allow delineation of sharp edges and smooth flat flanks, resistance to time-dependent dimensional changes caused by creep, flow, in-diffusion of unwanted impurities, out-diffusion of constituent atoms, void formation, grain growth or phase separation and resistance to phase transformations or compound formation.

Modeling of the structure-specific kinetics of abiotic, dark reduction of Hg(II) complexed by O/N and S functional groups in humic acids while accounting for time-dependent structural rearrangement

USDA-ARS?s Scientific Manuscript database

Redox transformations involving electron transfer from natural organic matter (NOM) are important for the mercury (Hg) biogeochemical cycle. In the water column light drives the reduction of Hg(II) to Hg(0), whereas in soils and sediments dark reduction of Hg(II) is of greater importance. The object...

Layered zinc hydroxide nanocones: synthesis, facile morphological and structural modification, and properties

NASA Astrophysics Data System (ADS)

Ma, Wei; Ma, Renzhi; Liang, Jianbo; Wang, Chengxiang; Liu, Xiaohe; Zhou, Kechao; Sasaki, Takayoshi

2014-10-01

Layered zinc hydroxide nanocones intercalated with DS- have been synthesized for the first time via a convenient synthetic approach, using homogeneous precipitation in the presence of urea and sodium dodecyl sulfate (SDS). SDS plays a significant role in controlling the morphologies of as-synthesized samples. Conical samples intercalated with various anions were transformed through an anion-exchange route in ethanol solution, and the original conical structure was perfectly maintained. Additionally, these DS--inserted nanocones can be transformed into square-like nanoplates in aqueous solution at room temperature, fulfilling the need for different morphology-dependent properties. Corresponding ZnO nanocones and nanoplates have been further obtained through the thermal calcination of NO3--intercalating zinc hydroxide nanocones/nanoplates. These ZnO nanostructures with different morphologies exhibit promising photocatalytic properties.Layered zinc hydroxide nanocones intercalated with DS- have been synthesized for the first time via a convenient synthetic approach, using homogeneous precipitation in the presence of urea and sodium dodecyl sulfate (SDS). SDS plays a significant role in controlling the morphologies of as-synthesized samples. Conical samples intercalated with various anions were transformed through an anion-exchange route in ethanol solution, and the original conical structure was perfectly maintained. Additionally, these DS--inserted nanocones can be transformed into square-like nanoplates in aqueous solution at room temperature, fulfilling the need for different morphology-dependent properties. Corresponding ZnO nanocones and nanoplates have been further obtained through the thermal calcination of NO3--intercalating zinc hydroxide nanocones/nanoplates. These ZnO nanostructures with different morphologies exhibit promising photocatalytic properties. Electronic supplementary information (ESI) available: Typical SEM images, TGA curves and XRD patterns of as-prepared samples. See DOI: 10.1039/c4nr04166f

Pressure-induced kinetics of the α to ω transition in zirconium

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

Jacobsen, M. K.; Velisavljevic, N., E-mail: nenad@lanl.gov; Sinogeikin, S. V.

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

Pressure-induced kinetics of the α to ω transition in zirconium

DOE PAGES

Jacobsen, M. K.; Velisavljevic, N.; Sinogeikin, S. V.

2015-07-13

Diamond anvil cells (DAC) coupled with x-ray diffraction (XRD) measurements are one of the primary techniques for investigating structural stability of materials at high pressure-temperature (P-T) conditions. DAC-XRD has been predominantly used to resolve structural information at set P-T conditions and, consequently, provides P-T phase diagram information on a broad range of materials. With advances in large scale synchrotron x-ray facilities and corresponding x-ray diagnostic capabilities, it is now becoming possible to perform sub-second time resolved measurements on micron sized DAC samples. As a result, there is an opportunity to gain valuable information about the kinetics of structural phase transformationsmore » and extend our understanding of material behavior at high P-T conditions. Using DAC-XRD time resolved measurements, we have investigated the kinetics of the α to ω transformation in zirconium. We observe a clear time and pressure dependence in the martensitic α-ω transition as a function of pressure-jump, i.e., drive pressure. The resulting data are fit using available kinetics models, which can provide further insight into transformation mechanism that influence transformation kinetics. Our results help shed light on the discrepancies observed in previous measurements of the α-ω transition pressure in zirconium.« less

A practical approach to calculate the time evolutions of magnetic field effects on photochemical reactions in nano-structured materials.

PubMed

Yago, Tomoaki; Wakasa, Masanobu

2015-04-21

A practical method to calculate time evolutions of magnetic field effects (MFEs) on photochemical reactions involving radical pairs is developed on the basis of the theory of the chemically induced dynamic spin polarization proposed by Pedersen and Freed. In theory, the stochastic Liouville equation (SLE), including the spin Hamiltonian, diffusion motions of the radical pair, chemical reactions, and spin relaxations, is solved by using the Laplace and the inverse Laplace transformation technique. In our practical approach, time evolutions of the MFEs are successfully calculated by applying the Miller-Guy method instead of the final value theorem to the inverse Laplace transformation process. Especially, the SLE calculations are completed in a short time when the radical pair dynamics can be described by the chemical kinetics consisting of diffusions, reactions and spin relaxations. The SLE analysis with a short calculation time enables one to examine the various parameter sets for fitting the experimental date. Our study demonstrates that simultaneous fitting of the time evolution of the MFE and of the magnetic field dependence of the MFE provides valuable information on the diffusion motions of the radical pairs in nano-structured materials such as micelles where the lifetimes of radical pairs are longer than hundreds of nano-seconds and the magnetic field dependence of the spin relaxations play a major role for the generation of the MFE.

Kinetics of hexacelsian to celsian phase transformation in SrAl2Si2O8

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Drummond, Charles H., III

1992-01-01

The kinetics of hexacelsian to celsian phase transformation in SrAl2Si2O8 have been investigated. Phase pure hexacelsian was prepared by heat treatment of glass flakes at 990 C for 10 h. Bulk hexacelsian was isothermally heat treated at 1026, 1050, 1100, 1152, and 1200 C for various times. The amounts of monoclinic celsian formed were determined using quantitative X-ray diffraction. Values of reaction rate constant, k, at various temperatures were evaluated from the Avrami equation. The Avrami parameter was determined to be 1.1, suggesting a diffusionless, one-dimensional transformation mechanism. From the temperature dependence of k, the activation energy for this reaction was evaluated to be 527 plus or minus 50 kJ/mole (126 plus or minus 12 kcal/mole). This value is consistent with a mechanism involving the transformation of the layered hexacelsian structure to a three-dimensional network celsian structure which necessitates breaking of the strongest bonds, the Si-O bonds.

Kinetics of hexacelsian-to-celsian phase transformation in SrAl2Si2O8

NASA Technical Reports Server (NTRS)

Bansal, Narottam P.; Drummond, Charles H., III

1993-01-01

The kinetics of hexacelsian to celsian phase transformation in SrAl2Si2O8 have been investigated. Phase pure hexacelsian was prepared by heat treatment of glass flakes at 990 C for 10 h. Bulk hexacelsian was isothermally heat treated at 1026, 1050, 1100, 1152, and 1200 C for various times. The amounts of monoclinic celsian formed were determined using quantitative X-ray diffraction. Values of reaction rate constant, k, at various temperatures were evaluated from the Avrami equation. The Avrami parameter was determined to be 1.1, suggesting a diffusionless, one-dimensional transformation mechanism. From the temperature dependence of k, the activation energy for this reaction was evaluated to be 527 plus or minus 50 kJ/mole (126 plus or minus 12 kcal/mole). This value is consistent with a mechanism involving the transformation of the layered hexacelsian structure to a three-dimensional network celsian structure which necessitates breaking of the strongest bonds, the Si-O bonds.

Multiscale time-dependent density functional theory: Demonstration for plasmons.

PubMed

Jiang, Jiajian; Abi Mansour, Andrew; Ortoleva, Peter J

2017-08-07

Plasmon properties are of significant interest in pure and applied nanoscience. While time-dependent density functional theory (TDDFT) can be used to study plasmons, it becomes impractical for elucidating the effect of size, geometric arrangement, and dimensionality in complex nanosystems. In this study, a new multiscale formalism that addresses this challenge is proposed. This formalism is based on Trotter factorization and the explicit introduction of a coarse-grained (CG) structure function constructed as the Weierstrass transform of the electron wavefunction. This CG structure function is shown to vary on a time scale much longer than that of the latter. A multiscale propagator that coevolves both the CG structure function and the electron wavefunction is shown to bring substantial efficiency over classical propagators used in TDDFT. This efficiency follows from the enhanced numerical stability of the multiscale method and the consequence of larger time steps that can be used in a discrete time evolution. The multiscale algorithm is demonstrated for plasmons in a group of interacting sodium nanoparticles (15-240 atoms), and it achieves improved efficiency over TDDFT without significant loss of accuracy or space-time resolution.

Competitive Self-Assembly Manifests Supramolecular Darwinism in Soft-Oxometalates

NASA Astrophysics Data System (ADS)

Das, Santu; Kumar, Saurabh; Mallick, Apabrita; Roy, Soumyajit

2015-09-01

Topological transformation manifested in inorganic materials shows manifold possibilities. In our present work, we show a clear topological transformation in a soft-oxometalate (SOM) system which was formed from its polyoxometalate (POM) precursor [PMo12@Mo72Fe30]. This topological transformation was observed due to time dependent competitive self-assembly of two different length scale soft-oxometalate moieties formed from this two-component host-guest reaction. We characterized different morphologies by scanning electron microscopy, electron dispersive scattering spectroscopy, dynamic light scattering, horizontal attenuated total reflection-infrared spectroscopy and Raman spectroscopy. The predominant structure is selected by its size in a sort of supramolecular Darwinian competition in this process and is described here.

Structural Transformation in Fe73.5Nb3Cu1Si15.5B7 Amorphous Alloy Induced by Laser Heating

NASA Astrophysics Data System (ADS)

Nykyruy, Yu. S.; Mudry, S. I.; Kulyk, Yu. O.; Zhovneruk, S. V.

2018-03-01

The effect of continuous laser irradiation (λ = 1.06 μm) with laser power of 45 W on the structure of Fe73.5Nb3Cu1Si15.5B7 amorphous alloy has been studied using X-ray diffraction and SEM methods. The sample of the ribbon has been placed at a distance from the focal plane of the lens, so a laser beam has been defocused and the diameter of laser spot on the ribbon surface has been about 10 mm. An exposure time τ varied within interval 0.25-0.70 s. Under such conditions structural transformation processes, which depend on the exposure time, have occurred in an irradiated zone. Crystallization process has started at τ = 0.35 s with the formation of α-Fe(Si) nanocrystalline phase, while complete crystallization has occurred at τ = 0.55 s with formation of two nanocrystalline phases: α-Fe(Si) and a hexagonal H-phase.

Solution of the Time-Dependent Schrödinger Equation by the Laplace Transform Method

PubMed Central

Lin, S. H.; Eyring, H.

1971-01-01

The time-dependent Schrödinger equation for two quite general types of perturbation has been solved by introducing the Laplace transforms to eliminate the time variable. The resulting time-independent differential equation can then be solved by the perturbation method, the variation method, the variation-perturbation method, and other methods. PMID:16591898

Fourier Domain Sensing

NASA Technical Reports Server (NTRS)

Feldkhun, Daniel (Inventor); Wagner, Kelvin H. (Inventor)

2013-01-01

Methods and systems are disclosed of sensing an object. A first radiation is spatially modulated to generate a structured second radiation. The object is illuminated with the structured second radiation such that the object produces a third radiation in response. Apart from any spatially dependent delay, a time variation of the third radiation is spatially independent. With a single-element detector, a portion of the third radiation is detected from locations on the object simultaneously. At least one characteristic of a sinusoidal spatial Fourier-transform component of the object is estimated from a time-varying signal from the detected portion of the third radiation.

Solvation dynamics of tryptophan in water-dimethyl sulfoxide binary mixture: in search of molecular origin of composition dependent multiple anomalies.

PubMed

Roy, Susmita; Bagchi, Biman

2013-07-21

Experimental and simulation studies have uncovered at least two anomalous concentration regimes in water-dimethyl sulfoxide (DMSO) binary mixture whose precise origin has remained a subject of debate. In order to facilitate time domain experimental investigation of the dynamics of such binary mixtures, we explore strength or extent of influence of these anomalies in dipolar solvation dynamics by carrying out long molecular dynamics simulations over a wide range of DMSO concentration. The solvation time correlation function so calculated indeed displays strong composition dependent anomalies, reflected in pronounced non-exponential kinetics and non-monotonous composition dependence of the average solvation time constant. In particular, we find remarkable slow-down in the solvation dynamics around 10%-20% and 35%-50% mole percentage. We investigate microscopic origin of these two anomalies. The population distribution analyses of different structural morphology elucidate that these two slowing down are reflections of intriguing structural transformations in water-DMSO mixture. The structural transformations themselves can be explained in terms of a change in the relative coordination number of DMSO and water molecules, from 1DMSO:2H2O to 1H2O:1DMSO and 1H2O:2DMSO complex formation. Thus, while the emergence of first slow down (at 15% DMSO mole percentage) is due to the percolation among DMSO molecules supported by the water molecules (whose percolating network remains largely unaffected), the 2nd anomaly (centered on 40%-50%) is due to the formation of the network structure where the unit of 1DMSO:1H2O and 2DMSO:1H2O dominates to give rise to rich dynamical features. Through an analysis of partial solvation dynamics an interesting negative cross-correlation between water and DMSO is observed that makes an important contribution to relaxation at intermediate to longer times.

A 1D thermomechanical network transition constitutive model coupled with multiple structural relaxation for shape memory polymers

NASA Astrophysics Data System (ADS)

Zeng, Hao; Xie, Zhimin; Gu, Jianping; Sun, Huiyu

2018-03-01

A new thermomechanical network transition constitutive model is proposed in the study to describe the viscoelastic behavior of shape memory polymers (SMPs). Based on the microstructure of semi-crystalline SMPs, a new simplified transformation equation is proposed to describe the transform of transient networks. And the generalized fractional Maxwell model is introduced in the paper to estimate the temperature-dependent storage modulus. In addition, a neo-KAHR theory with multiple discrete relaxation processes is put forward to study the structural relaxation of the nonlinear thermal strain in cooling/heating processes. The evolution equations of the time- and temperature-dependent stress and strain response are developed. In the model, the thermodynamical and mechanical characteristics of SMPs in the typical thermomechanical cycle are described clearly and the irreversible deformation is studied in detail. Finally, the typical thermomechanical cycles are simulated using the present constitutive model, and the simulation results agree well with the experimental results.

Estimation of Time Dependent Properties from Surface Pressure in Open Cavities

DTIC Science & Technology

2008-02-01

static pressure of the cavity. The stagnation and static pressures are measured separately with Druck Model DPI 145 pressure transducers (with a quoted...interacting with the ZNMF actuator jets, the 2D shape of the vortical structures transform to a 3D shape with spanwise vortical structures. These...Therefore, the pressure gradient in the d direction is dd ° 3d Substituting Equation (5.3) into Equation (5.5) results in ^l = PJk(e^-Re^)/c^ (5.6

On a phase field approach for martensitic transformations in a crystal plastic material at a loaded surface

NASA Astrophysics Data System (ADS)

Schmitt, Regina; Kuhn, Charlotte; Müller, Ralf

2017-07-01

A continuum phase field model for martensitic transformations is introduced, including crystal plasticity with different slip systems for the different phases. In a 2D setting, the transformation-induced eigenstrain is taken into account for two martensitic orientation variants. With aid of the model, the phase transition and its dependence on the volume change, crystal plastic material behavior, and the inheritance of plastic deformations from austenite to martensite are studied in detail. The numerical setup is motivated by the process of cryogenic turning. The resulting microstructure qualitatively coincides with an experimentally obtained martensite structure. For the numerical calculations, finite elements together with global and local implicit time integration scheme are employed.

Synchronization in dynamical networks with unconstrained structure switching

NASA Astrophysics Data System (ADS)

del Genio, Charo I.; Romance, Miguel; Criado, Regino; Boccaletti, Stefano

2015-12-01

We provide a rigorous solution to the problem of constructing a structural evolution for a network of coupled identical dynamical units that switches between specified topologies without constraints on their structure. The evolution of the structure is determined indirectly from a carefully built transformation of the eigenvector matrices of the coupling Laplacians, which are guaranteed to change smoothly in time. In turn, this allows one to extend the master stability function formalism, which can be used to assess the stability of a synchronized state. This approach is independent from the particular topologies that the network visits, and is not restricted to commuting structures. Also, it does not depend on the time scale of the evolution, which can be faster than, comparable to, or even secular with respect to the dynamics of the units.

Genetic Transformation of the Biocontrol Fungus Gliocladium virens to Benomyl Resistance

PubMed Central

Ossanna, Nina; Mischke, Sue

1990-01-01

Methodology was developed to isolate and regenerate protoplasts from the biocontrol fungus Gliocladium virens and to transform them to benomyl resistance with a Neurospora crassa β-tubulin gene. Southern blots demonstrated that multiple copies of the vector integrated into the chromosomal DNA of stable biotypes but not of abortive transformants. Analysis of nuclear condition in vegetative and asexual structures demonstrated that no structure of G. virens is dependably uninucleate and thus preferentially suitable for transformation. Images PMID:16348312

Lithosperic rheology controls on oceanic spreading patterns

NASA Astrophysics Data System (ADS)

Gerya, T.

2012-04-01

Mid-ocean ridges sectioned by transform faults represent one of the most prominent surface expressions of terrestrial plate tectonics. A fundamental long standing problem of plate tectonics is how and why ridge-transform spreading patterns are formed and maintained. On the one hand, geometrical correspondence between mid-ocean ridges and respective rifted margins apparently suggests that many oceanic transform faults are inherited structures that persisted throughout the entire history of oceanic spreading. On the other hand, data from incipient oceanic spreading regions show that transform faults are not directly inherited from transverse rift structures and start to develop as or after oceanic spreading nucleate. Based on self-consistent 3D thermomechanical numerical model of oceanic spreading we demonstrate that only limited range of oceanic lithosphere rheologies can reproduce natural spreading patterns. In particular, spontaneous formation and long-term stability of orthogonal ridge-transform spreading pattern requires visco-brittle/plastic rheology of plates with strong dynamic weakening of spontaneously forming faults. Our, numerical models of incipient oceanic spreading demonstrate that one or several oceanic transform faults can form gradually within broad non-transform accommodation zones connecting initially offset spreading centers. Orientation of transform faults and spreading centers changes exponentially with time as the result of new oceanic crust growth. The resulting orthogonal ridge-transform system is established within few millions of years after the beginning of oceanic spreading. By its fundamental physical origin, this system is a crustal growth pattern governed by space accommodation and not a plate breakup pattern governed by stress distribution. It is demonstrated that the characteristic extension-parallel orientation of oceanic transform faults can be obtained from space accommodation criteria as a steady state orientation of a strike-slip fault sustaining in between simultaneously growing offset crustal segments. Numerical models also suggest that transform faults can develop at single straight ridge as the result of dynamical instability of constructive plate boundaries caused by weakening of forming brittle/plastic fractures. Boundary instability from asymmetric plate growth can spontaneously start in alternate directions along successive ridge sections; the resultant curved ridges become transform faults within a few million years. Offsets along the transform faults change continuously with time by asymmetric plate growth and discontinuously by ridge jumps. Degree of asymmetric plate accretion increases with increasing degree of brittle/plastic weakening. It is also strongly dependent on the brittle/plastic yielding criterion and is notably reduced in models with pressure-dependent brittle/plastic plate strength compared to models with pressure-independent strength.

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

Wan, Li; Thompson, Gregory, E-mail: gthompson@eng.ua.edu

A series of 40–2 nm bilayer spacing Ti/Fe multilayers were sputter-deposited. As the length scale of individual Ti layers equaled to 2 nm, Ti phase transforms from a hexagonal close packed (hcp)-to-body centered cubic (bcc) crystal structures for equal layer thicknesses in Ti/Fe multilayers. Further equal reductions in bilayer spacing to less than 1 nm resulted in an additional transformation from a crystalline to amorphous structure. Atom probe tomography reveals significant intermixing between layers which contributes to the observed phase transformations. Real-time, intrinsic growth stress measurements were also performed to relate the adatom mobility to these phase transformations. For the hcp Ti/bcc Femore » multilayers of equivalent volume fractions, the multilayers undergo an overall tensile stress state to a compressive stress state with decreasing bilayer thickness for the multilayers. When the above phase transformations occurred, a modest reduction in the overall compressive stress of the multilayer was noted. Depending on the Fe thickness, the Ti growth was observed to be a tensile to compressive growth change to a purely compressive growth for thinner bilayer spacing. Fe retained a tensile growth stress regardless of the bilayer spacing studied.« less

Time Series of Tropical-Forest Structure from TanDEM-X, Transformed to Time Series of Biomass by MODIS

NASA Astrophysics Data System (ADS)

Treuhaft, R. N.; Baccini, A.; Goncalves, F. G.; Lei, Y.; Keller, M.; Walker, W. S.

2017-12-01

Tropical forests account for about 50% of the world's forested biomass, and play a critical role in the control of atmospheric carbon dioxide. Large-scale (1000's of km) changes in forest structure and biomass bear on global carbon source-sink dynamics, while small-scale (< 100 m) changes bear on deforestation and degradation monitoring. After describing the interferometric SAR (InSAR) phase-height observation, we show forest phase-height time series from the TanDEM-X radar interferometer at X-band (3 cm), taken with monthly and sub-hectare temporal and spatial resolution, respectively. The measurements were taken with more than 30 TanDEM-X passes over Tapajós National Forest in the Brazilian Amazon between 2011 and 2014. The transformation of phase-height rates into aboveground biomass (AGB) rates is based on the idea that the change in AGB due to a change in phase-height depends on the plot's AGB. Plots with higher AGB will produce more AGB for a given increase in height or phase-height. Postulating a power-law dependence of plot-level mass density on physical height, we previously found that the best conversion factors for transforming phase-height rate to AGB rate were indeed dependent on AGB. For 78 plots, we demonstrated AGB rates from InSAR phase-height rates using AGB from field measurements. For regional modeling of the Amazon Basin, field measurements of AGB, to specify the conversion factors, is impractical. Conversion factors from InSAR phase-height rate to AGB rate in this talk will be based on AGB derived from the Moderate Resolution Imaging Spectroradiometer (MODIS). AGB measurement from MODIS is based on the spectral reflectance of 7 bands from the visible to short wave infrared, and auxiliary metrics describing the variance in reflectance. The mapping of MODIS reflectance to AGB is enabled by training a machine learning algorithm with lidar-derived AGB data, which are in turn trained by field measurements for small areas. The performance of TanDEM-X AGB rate from MODIS-derived conversion factors will be compared to that derived from field-based conversion factors. We will also attempt to improve phase-height rate to AGB rate transformation by deriving improved models of mass density dependences on height, based on the aggregation of single-stem allometrics.

Morphology transformations in tetrabutyl titanate-acetic acid system and sub-micron/micron hierarchical TiO2 for dye-sensitized solar cells

NASA Astrophysics Data System (ADS)

Huang, Niu; Xie, Yanan; Sebo, Bobby; Liu, Yumin; Sun, Xiaohua; Peng, Tao; Sun, Weiwei; Bu, Chenghao; Guo, Shishang; Zhao, Xingzhong

2013-11-01

The concentration of tetrabutyl titanate (TBT) and H2O influence on the reaction kinetics of TBT and acetic acid (AcOH) solvothermal system are systematically studied. It is found that TBT and H2O have greatly accelerated the hydrolysis-condensation process of the TBT-AcOH system. By adjusting those concentrations with reaction time, we prepare five kinds of sub-micron/micron precursors, which are hierarchical structures consisting of different primary building blocks. The morphology of these precursors varies from noninterlaced structures composed of flower-like microsphere and ellipsoid sphere to interlaced structures composed of flower-like microsphere interlaced nanofibers, ellipsoid spheres interlaced flower-like microsphere and nanoparticles interlaced flower-like microsphere. These interlaced structures are synthesized for the first time and are not ordinary mixtures of the noninterlaced structures. After heat treatment, these precursors are transformed to anatase TiO2. Shape-dependent photovoltaic performances of dye-sensitized solar cells (DSSCs) are also discussed. DSSCs based on these hierarchical sub-micron/micron TiO2 show 7.3%-7.9% energy conversion efficiencies, and the devices based on interlaced structures have higher efficiencies (7.4%-7.9%) than those of the devices based on noninterlaced structures (7.3%-7.6%).

A time-dependent order parameter for ultrafast photoinduced phase transitions.

PubMed

Beaud, P; Caviezel, A; Mariager, S O; Rettig, L; Ingold, G; Dornes, C; Huang, S-W; Johnson, J A; Radovic, M; Huber, T; Kubacka, T; Ferrer, A; Lemke, H T; Chollet, M; Zhu, D; Glownia, J M; Sikorski, M; Robert, A; Wadati, H; Nakamura, M; Kawasaki, M; Tokura, Y; Johnson, S L; Staub, U

2014-10-01

Strongly correlated electron systems often exhibit very strong interactions between structural and electronic degrees of freedom that lead to complex and interesting phase diagrams. For technological applications of these materials it is important to learn how to drive transitions from one phase to another. A key question here is the ultimate speed of such phase transitions, and to understand how a phase transition evolves in the time domain. Here we apply time-resolved X-ray diffraction to directly measure the changes in long-range order during ultrafast melting of the charge and orbitally ordered phase in a perovskite manganite. We find that although the actual change in crystal symmetry associated with this transition occurs over different timescales characteristic of the many electronic and vibrational coordinates of the system, the dynamics of the phase transformation can be well described using a single time-dependent 'order parameter' that depends exclusively on the electronic excitation.

Recursion Operators and Bi-Hamiltonian Structures in Multidimensions II,

DTIC Science & Technology

1986-07-01

a Symmifetry (1.2). For example the Kadomtsev - Petviashvili (KP) equation and the Davey-Stewartson (DS) equation admit two such hierarchies of...Degasperis, Nuovo Cimento, 398, 1 (1977). [16] P. Caudrey, Discrete and Periodic Spectral Transforms Related to the Kadomtsev - Petviashvili Equation ...these equations possess infinitely many time dependent symmetries and constants of motion. The master symmetries T for these equations are simply derived

Development of efficient time-evolution method based on three-term recurrence relation

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

Akama, Tomoko, E-mail: a.tomo---s-b-l-r@suou.waseda.jp; Kobayashi, Osamu; Nanbu, Shinkoh, E-mail: shinkoh.nanbu@sophia.ac.jp

The advantage of the real-time (RT) propagation method is a direct solution of the time-dependent Schrödinger equation which describes frequency properties as well as all dynamics of a molecular system composed of electrons and nuclei in quantum physics and chemistry. Its applications have been limited by computational feasibility, as the evaluation of the time-evolution operator is computationally demanding. In this article, a new efficient time-evolution method based on the three-term recurrence relation (3TRR) was proposed to reduce the time-consuming numerical procedure. The basic formula of this approach was derived by introducing a transformation of the operator using the arcsine function.more » Since this operator transformation causes transformation of time, we derived the relation between original and transformed time. The formula was adapted to assess the performance of the RT time-dependent Hartree-Fock (RT-TDHF) method and the time-dependent density functional theory. Compared to the commonly used fourth-order Runge-Kutta method, our new approach decreased computational time of the RT-TDHF calculation by about factor of four, showing the 3TRR formula to be an efficient time-evolution method for reducing computational cost.« less

All-optical transistors and logic gates using a parity-time-symmetric Y-junction: Design and simulation

NASA Astrophysics Data System (ADS)

Ding, Shulin; Wang, Guo Ping

2015-09-01

Classical nonlinear or quantum all-optical transistors are dependent on the value of input signal intensity or need extra co-propagating beams. In this paper, we present a kind of all-optical transistors constructed with parity-time (PT)-symmetric Y-junctions, which perform independently on the value of signal intensity in an unsaturated gain case and can also work after introducing saturated gain. Further, we show that control signal can switch the device from amplification of peaks in time to transformation of peaks to amplified troughs. By using these PT-symmetric Y-junctions with currently available materials and technologies, we can implement interesting logic functions such as NOT and XOR (exclusive OR) gates, implying potential applications of such structures in designing optical logic gates, optical switches, and signal transformations or amplifications.

Dark and bright solitons for the two-dimensional complex modified Korteweg-de Vries and Maxwell-Bloch system with time-dependent coefficient

NASA Astrophysics Data System (ADS)

Shaikhova, G.; Ozat, N.; Yesmakhanova, K.; Bekova, G.

2018-02-01

In this work, we present Lax pair for two-dimensional complex modified Korteweg-de Vries and Maxwell-Bloch (cmKdV-MB) system with the time-dependent coefficient. Dark and bright soliton solutions for the cmKdV-MB system with variable coefficient are received by Darboux transformation. Moreover, the determinant representation of the one-fold and two-fold Darboux transformation for the cmKdV-MB system with time-dependent coefficient is presented.

Neural coding strategies in auditory cortex.

PubMed

Wang, Xiaoqin

2007-07-01

In contrast to the visual system, the auditory system has longer subcortical pathways and more spiking synapses between the peripheral receptors and the cortex. This unique organization reflects the needs of the auditory system to extract behaviorally relevant information from a complex acoustic environment using strategies different from those used by other sensory systems. The neural representations of acoustic information in auditory cortex can be characterized by three types: (1) isomorphic (faithful) representations of acoustic structures; (2) non-isomorphic transformations of acoustic features and (3) transformations from acoustical to perceptual dimensions. The challenge facing auditory neurophysiologists is to understand the nature of the latter two transformations. In this article, I will review recent studies from our laboratory regarding temporal discharge patterns in auditory cortex of awake marmosets and cortical representations of time-varying signals. Findings from these studies show that (1) firing patterns of neurons in auditory cortex are dependent on stimulus optimality and context and (2) the auditory cortex forms internal representations of sounds that are no longer faithful replicas of their acoustic structures.

Computational Modeling and Experimental Characterization of Martensitic Transformations in Nicoal for Self-Sensing Materials

NASA Technical Reports Server (NTRS)

Wallace, T. A.; Yamakov, V. I.; Hochhalter, J. D.; Leser, W. P.; Warner, J. E.; Newman, J. A.; Purja Pun, G. P.; Mishin, Y.

2015-01-01

Fundamental changes to aero-vehicle management require the utilization of automated health monitoring of vehicle structural components. A novel method is the use of self-sensing materials, which contain embedded sensory particles (SP). SPs are micron-sized pieces of shape-memory alloy that undergo transformation when the local strain reaches a prescribed threshold. The transformation is a result of a spontaneous rearrangement of the atoms in the crystal lattice under intensified stress near damaged locations, generating acoustic waves of a specific spectrum that can be detected by a suitably placed sensor. The sensitivity of the method depends on the strength of the emitted signal and its propagation through the material. To study the transition behavior of the sensory particle inside a metal matrix under load, a simulation approach based on a coupled atomistic-continuum model is used. The simulation results indicate a strong dependence of the particle's pseudoelastic response on its crystallographic orientation with respect to the loading direction and suggest possible ways of optimizing particle sensitivity. The technology of embedded sensory particles will serve as the key element in an autonomous structural health monitoring system that will constantly monitor for damage initiation in service, which will enable quick detection of unforeseen damage initiation in real-time and during onground inspections.

Sub-wavelength grating mode transformers in silicon slab waveguides.

PubMed

Bock, Przemek J; Cheben, Pavel; Schmid, Jens H; Delâge, André; Xu, Dan-Xia; Janz, Siegfried; Hall, Trevor J

2009-10-12

We report on several new types of sub-wavelength grating (SWG) gradient index structures for efficient mode coupling in high index contrast slab waveguides. Using a SWG, an adiabatic transition is achieved at the interface between silicon-on-insulator waveguides of different geometries. The SWG transition region minimizes both fundamental mode mismatch loss and coupling to higher order modes. By creating the gradient effective index region in the direction of propagation, we demonstrate that efficient vertical mode transformation can be achieved between slab waveguides of different core thickness. The structures which we propose can be fabricated by a single etch step. Using 3D finite-difference time-domain simulations we study the loss, polarization dependence and the higher order mode excitation for two types (triangular and triangular-transverse) of SWG transition regions between silicon-on-insulator slab waveguides of different core thicknesses. We demonstrate two solutions to reduce the polarization dependent loss of these structures. Finally, we propose an implementation of SWG structures to reduce loss and higher order mode excitation between a slab waveguide and a phase array of an array waveguide grating (AWG). Compared to a conventional AWG, the loss is reduced from -1.4 dB to < -0.2 dB at the slab-array interface.

Hydrogen-induced morphotropic phase transformation of single-crystalline vanadium dioxide nanobeams.

PubMed

Hong, Woong-Ki; Park, Jong Bae; Yoon, Jongwon; Kim, Bong-Joong; Sohn, Jung Inn; Lee, Young Boo; Bae, Tae-Sung; Chang, Sung-Jin; Huh, Yun Suk; Son, Byoungchul; Stach, Eric A; Lee, Takhee; Welland, Mark E

2013-04-10

We report a morphotropic phase transformation in vanadium dioxide (VO2) nanobeams annealed in a high-pressure hydrogen gas, which leads to the stabilization of metallic phases. Structural analyses show that the annealed VO2 nanobeams are hexagonal-close-packed structures with roughened surfaces at room temperature, unlike as-grown VO2 nanobeams with the monoclinic structure and with clean surfaces. Quantitative chemical examination reveals that the hydrogen significantly reduces oxygen in the nanobeams with characteristic nonlinear reduction kinetics which depend on the annealing time. Surprisingly, the work function and the electrical resistance of the reduced nanobeams follow a similar trend to the compositional variation due mainly to the oxygen-deficiency-related defects formed at the roughened surfaces. The electronic transport characteristics indicate that the reduced nanobeams are metallic over a large range of temperatures (room temperature to 383 K). Our results demonstrate the interplay between oxygen deficiency and structural/electronic phase transitions, with implications for engineering electronic properties in vanadium oxide systems.

Dependence of transformation product formation on pH during photolytic and photocatalytic degradation of ciprofloxacin.

PubMed

Salma, Alaa; Thoröe-Boveleth, Sven; Schmidt, Torsten C; Tuerk, Jochen

2016-08-05

Ciprofloxacin (CIP) is a broad-spectrum antibiotic with five pH dependent species in aqueous medium, which makes its degradation behavior difficult to predict. For the identification of transformation products and prediction of degradation mechanisms, a new experimental concept making use of isotopically labeled compounds together with high resolution mass spectrometry was successfully established. The utilization of deuterated ciprofloxacin (CIP-d8) facilitated the prediction of three different degradation pathways and the corresponding degradation products, four of which were identified for the first time. Moreover, two molecular structures of previously reported transformation products were revised according to the mass spectra and product ion spectra of the deuterated transformation products. Altogether, 18 transformation products have been identified during the photolytic and photocatalytic reactions at different pH values (3, 5, 7 and 9). In this work the influence of pH on both reaction kinetics and degradation mechanism was investigated for direct ultraviolet photolysis (UV-C irradiation) and photocatalysis (TiO2/UV-C). It could be shown that the removal rates strongly depended on pH with highest removal rates at pH 9. A comparison with those at pH 3 clearly indicated that under acidic conditions ciprofloxacin cannot be easily excited by UV irradiation. We could confirm that the first reaction step for both oxidative treatment processes is mainly defluorination, followed by degradation at the piperazine ring of CIP. Copyright © 2016 Elsevier B.V. All rights reserved.

Mesoscopic structural phase progression in photo-excited VO 2 revealed by time-resolved x-ray diffraction microscopy

DOE PAGES

Zhu, Yi; Cai, Zhonghou; Chen, Pice; ...

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase seperated regions. The ability to simultanousely track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of- the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO 2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation ismore » initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO 2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, which is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO 2. Lastly, the direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.« less

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy

NASA Astrophysics Data System (ADS)

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J.; Jung, Il Woong; Walko, Donald A.; Dufresne, Eric M.; Jeong, Jaewoo; Samant, Mahesh G.; Parkin, Stuart S. P.; Freeland, John W.; Evans, Paul G.; Wen, Haidan

2016-02-01

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Mesoscopic structural phase progression in photo-excited VO2 revealed by time-resolved x-ray diffraction microscopy.

PubMed

Zhu, Yi; Cai, Zhonghou; Chen, Pice; Zhang, Qingteng; Highland, Matthew J; Jung, Il Woong; Walko, Donald A; Dufresne, Eric M; Jeong, Jaewoo; Samant, Mahesh G; Parkin, Stuart S P; Freeland, John W; Evans, Paul G; Wen, Haidan

2016-02-26

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase separated regions. The ability to simultaneously track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of-the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation is initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, and is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO2. The direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.

Structure and morphology of submarine slab slides: clues to origin and behavior

USGS Publications Warehouse

O'Leary, Dennis W.

1991-01-01

Geologic features suggest that some slab slides probably result from long-term strength degradation of weak layers deep in the homoclinal section. Time-dependent strain in clay-rich layers can create potential slide surfaces of low frictional strength. Competent layers are weak in tension and probably fragment in the first instance of, or even prior to, translation, and the allochthonous mass is readily transformed into a high-momentum debris flow. The structure and geomorphology of slab slides provide important clues to their origin and behavior. -from Author

The use of the multiwavelet transform for the estimation of surface wave group and phase velocities and their associated uncertainties

NASA Astrophysics Data System (ADS)

Poppeliers, C.; Preston, L. A.

2017-12-01

Measurements of seismic surface wave dispersion can be used to infer the structure of the Earth's subsurface. Typically, to identify group- and phase-velocity, a series of narrow-band filters are applied to surface wave seismograms. Frequency dependent arrival times of surface waves can then be identified from the resulting suite of narrow band seismograms. The frequency-dependent velocity estimates are then inverted for subsurface velocity structure. However, this technique has no method to estimate the uncertainty of the measured surface wave velocities, and subsequently there is no estimate of uncertainty on, for example, tomographic results. For the work here, we explore using the multiwavelet transform (MWT) as an alternate method to estimate surface wave speeds. The MWT decomposes a signal similarly to the conventional filter bank technique, but with two primary advantages: 1) the time-frequency localization is optimized in regard to the time-frequency tradeoff, and 2) we can use the MWT to estimate the uncertainty of the resulting surface wave group- and phase-velocities. The uncertainties of the surface wave speed measurements can then be propagated into tomographic inversions to provide uncertainties of resolved Earth structure. As proof-of-concept, we apply our technique to four seismic ambient noise correlograms that were collected from the University of Nevada Reno seismic network near the Nevada National Security Site. We invert the estimated group- and phase-velocities, as well the uncertainties, for 1-D Earth structure for each station pair. These preliminary results generally agree with 1-D velocities that are obtained from inverting dispersion curves estimated from a conventional Gaussian filter bank.

Dissociating object-based from egocentric transformations in mental body rotation: effect of stimuli size.

PubMed

Habacha, Hamdi; Moreau, David; Jarraya, Mohamed; Lejeune-Poutrain, Laure; Molinaro, Corinne

2018-01-01

The effect of stimuli size on the mental rotation of abstract objects has been extensively investigated, yet its effect on the mental rotation of bodily stimuli remains largely unexplored. Depending on the experimental design, mentally rotating bodily stimuli can elicit object-based transformations, relying mainly on visual processes, or egocentric transformations, which typically involve embodied motor processes. The present study included two mental body rotation tasks requiring either a same-different or a laterality judgment, designed to elicit object-based or egocentric transformations, respectively. Our findings revealed shorter response times for large-sized stimuli than for small-sized stimuli only for greater angular disparities, suggesting that the more unfamiliar the orientations of the bodily stimuli, the more stimuli size affected mental processing. Importantly, when comparing size transformation times, results revealed different patterns of size transformation times as a function of angular disparity between object-based and egocentric transformations. This indicates that mental size transformation and mental rotation proceed differently depending on the mental rotation strategy used. These findings are discussed with respect to the different spatial manipulations involved during object-based and egocentric transformations.

Spatial and temporal dependencies of structure II to structure I methane hydrate transformation in porous media under moderate pressure and temperature conditions

NASA Astrophysics Data System (ADS)

Dong, T.; Lin, J. F.; Gu, J. T.; Polito, P. J.; O'Connell, J.; Flemings, P. B.

2017-12-01

We used Raman spectroscopy to monitor methane hydrates transforming from structure II to structure I at the pore scale as a function of space and time. It is well documented that structure I hydrate is the thermodynamically stable phase for pure methane hydrate (<100 MPa, < 20 °C), but due to kinetic limitation, initial methane hydrate formation produces a mixture of structure I and structure II hydrates. We observed that the structure transformation originated around the porous medium grains and over time slowly migrated into the pore space. We synthesized methane hydrates in spherical glass beads (210-297 µm in diameter) in a pressure cell with a sapphire window to integrate optical observations with Raman measurements. We injected CH4 vapor into the cell and supplied only deionized water thereafter to maintain a constant pressure of 14.6 MPa at 3.5 °C, with 14.5 °C subcooling. We used Raman spectroscopy to map the methane hydrates in pore spaces at 5-25 µm resolution, in order to monitor the occupancy ratio of CH4 in large cages to CH4 in small cages, by their Raman peak intensity ratio, i.e., I( 2905 cm-1)/I( 2915 cm-1). We identified 3 stages of hydrate formation at the pore scale: (1) after the initial hydrate formation, Raman mapping revealed that the occupancy ratio ranged from 0.5 to 3, indicating a mixture of structure I and II hydrates; (2) within 1 week, we observed that all structure I hydrates occurred on the glass bead surfaces and structure II hydrates occupied the pore spaces; (3) over the following 2 weeks, structure II hydrates gradually recrystallized into structure I hydrates from glass bead surfaces towards the pore space. These results imply that (1) due to kinetics, the formation of methane hydrate in porous media is more complex than previously thought, and (2) the bulk physical and chemical properties of laboratory-synthesized methane hydrates in porous media may drift over time, as methane hydrates recrystallize from a metastable phase (structure II) to the thermodynamically stable phase (structure I).

All-optical transistors and logic gates using a parity-time-symmetric Y-junction: Design and simulation

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

Ding, Shulin; Wang, Guo Ping, E-mail: gpwang@szu.edu.cn; College of Electronic Science and Technology, Shenzhen University, Shenzhen 518060

Classical nonlinear or quantum all-optical transistors are dependent on the value of input signal intensity or need extra co-propagating beams. In this paper, we present a kind of all-optical transistors constructed with parity-time (PT)-symmetric Y-junctions, which perform independently on the value of signal intensity in an unsaturated gain case and can also work after introducing saturated gain. Further, we show that control signal can switch the device from amplification of peaks in time to transformation of peaks to amplified troughs. By using these PT-symmetric Y-junctions with currently available materials and technologies, we can implement interesting logic functions such as NOTmore » and XOR (exclusive OR) gates, implying potential applications of such structures in designing optical logic gates, optical switches, and signal transformations or amplifications.« less

Structural contribution to the ferroelectric fatigue in lead zirconate titanate ceramics

NASA Astrophysics Data System (ADS)

Hinterstein, M.; Rouquette, J.; Haines, J.; Papet, Ph.; Glaum, J.; Knapp, M.; Eckert, J.; Hoffman, M.

2014-09-01

Many ferroelectric devices are based on doped lead zirconate titanate (PZT) ceramics with compositions near the morphotropic phase boundary (MPB), at which the relevant material's properties approach their maximum. Based on a synchrotron x-ray diffraction study of MPB PZT, bulk fatigue is unambiguously found to arise from a less effective field induced tetragonal-to-monoclinic transformation, at which the degradation of the polarization flipping is detected by a less intense and more diffuse anomaly in the atomic displacement parameter of lead. The time dependence of the ferroelectric response on a structural level down to 250 μs confirms this interpretation in the time scale of the piezolectric strain response.

Manipulating matter rogue waves and breathers in Bose-Einstein condensates.

PubMed

Manikandan, K; Muruganandam, P; Senthilvelan, M; Lakshmanan, M

2014-12-01

We construct higher-order rogue wave solutions and breather profiles for the quasi-one-dimensional Gross-Pitaevskii equation with a time-dependent interatomic interaction and external trap through the similarity transformation technique. We consider three different forms of traps: (i) the time-independent expulsive trap, (ii) time-dependent monotonous trap, and (iii) time-dependent periodic trap. Our results show that when we change a parameter appearing in the time-independent or time-dependent trap the second- and third-order rogue waves transform into the first-order-like rogue waves. We also analyze the density profiles of breather solutions. Here we also show that the shapes of the breathers change when we tune the strength of the trap parameter. Our results may help to manage rogue waves experimentally in a BEC system.

Coordinated Voltage Control of Transformer Taps on account of Hierarchical Structure in Power System

NASA Astrophysics Data System (ADS)

Nakachi, Yoshiki; Kato, Satoshi; Ukai, Hiroyuki

Participation of distributed generators (DG), such as wind turbines, co-generation system etc., is natural trend from ecological point of view and will increase more and more. The outputs of these DGs mainly depend on weather condition but don't correspond to the changes of electrical load demand necessarily. On the other hand, due to the deregulation of electric power market, the power flow in power system will uncertainly vary with several power transactions. Thus, complex power flow by DGs or transactions will cause the voltage deviation. It will be difficult to sustain the voltage quality by using the conventional voltage/reactive power control in near future. In this paper, in order to avoid such a voltage deviation and to decrease the frequency of transformer tap actions, the coordinated voltage control scheme of transformer taps on account of hierarchical structure in power system is proposed. In the proposed scheme, integral of voltage deviation at each layer bus is applied to decide the timing of each transformer tap action. It is confirmed by some numerical simulations that the proposed scheme is able to respond to every conditions on voltage deviation.

Peculiarities of transformation of adaptation level of the astronaut in conditions of long-lasting flight

NASA Astrophysics Data System (ADS)

Padashulya, H.; Prisnyakova, L.; Prisnyakov, V.

Prognostication of the development of adverse factors of psychological processes in the personality of the astronaut who time and again feels transformation of internal structure of his personality is one of cardinal problems of the long-lasting flight Adaptation to changing conditions of long-lasting flight is of particular importance because it has an effect on the efficiency of discharged functions and mutual relations in the team The fact of standard psychological changes emerging in the personality being in the state of structural transformations is the precondition for the possibility of prognostication Age-specific gender and temperamental differences in the personality enable to standardize these changes Examination of the process of transformation of adaptation level of the personality in the varied environment depending on the type of temperament and constituents age and gender is chief object of the report In the report it is shown that in the process of transformation of adaptation parameters - attitude to guillemotleft work guillemotright guillemotleft family guillemotright guillemotleft environment guillemotright and guillemotleft ego guillemotright - the changes can go in two directions - in the direction of increase and decline of indexes The trend of increase enables to accumulate them and form potentiality to reduce or increase the level of personality adaptation There is a hypothesis that the dynamics of the process of transformation of adaptation parameter is shown up in the orientation of increase of

Time Dependent Structural Evolution of Porous Organic Cage CC3

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

Lucero, Jolie; Elsaidi, Sameh; Anderson, Ryther

Porous organic cage compounds are emerged with remarkable structural diversity and functionality that have applications in gas separation, catalysis and energy storage. Fundamental understanding of nucleation and growth of such materials have significant implications for understanding molecularly directed self-assembly phenomena. Herein we followed the structural evolution of a prototypical type of porous organic cage, CC3 as a function of synthesis time. Three distinctive crystal formation stages were identified: at short synthesis times, a rapid crystal growth stage in which amorphous agglomerates transformed into larger irregular particles was observed. At intermediate synthesis times, a decrease in crystal size over time wasmore » observed presumably due to crystal fragmentation, redissolution and/or homogeneous nucleation led. Finally, at longer synthesis times, a regrowth process was observed in which particles coalesced through Ostwald ripening leading to a continuous increase in crystal size. Molecular simulation studies, based on the construction of in silico CC3 models and simulation of XRD patterns and nitrogen isotherms, confirm the samples at different synthesis times to be a mixture of CC3α and CC3 amorphous phases. The CC3α phase is found to contract at different synthesis times, and the amorphous phase is found to essentially disappear at the longest synthesis time. Nitrogen and carbon dioxide adsorption properties of these CC3 phases were evaluated, and were highly dependent on synthesis time.« less

Wavelet Filter Banks for Super-Resolution SAR Imaging

NASA Technical Reports Server (NTRS)

Sheybani, Ehsan O.; Deshpande, Manohar; Memarsadeghi, Nargess

2011-01-01

This paper discusses Innovative wavelet-based filter banks designed to enhance the analysis of super resolution Synthetic Aperture Radar (SAR) images using parametric spectral methods and signal classification algorithms, SAR finds applications In many of NASA's earth science fields such as deformation, ecosystem structure, and dynamics of Ice, snow and cold land processes, and surface water and ocean topography. Traditionally, standard methods such as Fast-Fourier Transform (FFT) and Inverse Fast-Fourier Transform (IFFT) have been used to extract Images from SAR radar data, Due to non-parametric features of these methods and their resolution limitations and observation time dependence, use of spectral estimation and signal pre- and post-processing techniques based on wavelets to process SAR radar data has been proposed. Multi-resolution wavelet transforms and advanced spectral estimation techniques have proven to offer efficient solutions to this problem.

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

Zhu, Yi; Cai, Zhonghou; Chen, Pice

Dynamical phase separation during a solid-solid phase transition poses a challenge for understanding the fundamental processes in correlated materials. Critical information underlying a phase transition, such as localized phase competition, is difficult to reveal by measurements that are spatially averaged over many phase seperated regions. The ability to simultanousely track the spatial and temporal evolution of such systems is essential to understanding mesoscopic processes during a phase transition. Using state-of- the-art time-resolved hard x-ray diffraction microscopy, we directly visualize the structural phase progression in a VO 2 film upon photoexcitation. Following a homogenous in-plane optical excitation, the phase transformation ismore » initiated at discrete sites and completed by the growth of one lattice structure into the other, instead of a simultaneous isotropic lattice symmetry change. The time-dependent x-ray diffraction spatial maps show that the in-plane phase progression in laser-superheated VO 2 is via a displacive lattice transformation as a result of relaxation from an excited monoclinic phase into a rutile phase. The speed of the phase front progression is quantitatively measured, which is faster than the process driven by in-plane thermal diffusion but slower than the sound speed in VO 2. Lastly, the direct visualization of localized structural changes in the time domain opens a new avenue to study mesoscopic processes in driven systems.« less

Two-dimensional auto-correlation analysis and Fourier-transform analysis of second-harmonic-generation image for quantitative analysis of collagen fiber in human facial skin

NASA Astrophysics Data System (ADS)

Ogura, Yuki; Tanaka, Yuji; Hase, Eiji; Yamashita, Toyonobu; Yasui, Takeshi

2018-02-01

We compare two-dimensional auto-correlation (2D-AC) analysis and two-dimensional Fourier transform (2D-FT) for evaluation of age-dependent structural change of facial dermal collagen fibers caused by intrinsic aging and extrinsic photo-aging. The age-dependent structural change of collagen fibers for female subjects' cheek skin in their 20s, 40s, and 60s were more noticeably reflected in 2D-AC analysis than in 2D-FT analysis. Furthermore, 2D-AC analysis indicated significantly higher correlation with the skin elasticity measured by Cutometer® than 2D-AC analysis. 2D-AC analysis of SHG image has a high potential for quantitative evaluation of not only age-dependent structural change of collagen fibers but also skin elasticity.

Performance Dependences of Multiplication Layer Thickness for InP/InGaAs Avalanche Photodiodes Based on Time Domain Modeling

NASA Technical Reports Server (NTRS)

Xiao, Yegao; Bhat, Ishwara; Abedin, M. Nurul

2005-01-01

InP/InGaAs avalanche photodiodes (APDs) are being widely utilized in optical receivers for modern long haul and high bit-rate optical fiber communication systems. The separate absorption, grading, charge, and multiplication (SAGCM) structure is an important design consideration for APDs with high performance characteristics. Time domain modeling techniques have been previously developed to provide better understanding and optimize design issues by saving time and cost for the APD research and development. In this work, performance dependences on multiplication layer thickness have been investigated by time domain modeling. These performance characteristics include breakdown field and breakdown voltage, multiplication gain, excess noise factor, frequency response and bandwidth etc. The simulations are performed versus various multiplication layer thicknesses with certain fixed values for the areal charge sheet density whereas the values for the other structure and material parameters are kept unchanged. The frequency response is obtained from the impulse response by fast Fourier transformation. The modeling results are presented and discussed, and design considerations, especially for high speed operation at 10 Gbit/s, are further analyzed.

The hippocampus and related neocortical structures in memory transformation.

PubMed

Sekeres, Melanie J; Winocur, Gordon; Moscovitch, Morris

2018-05-04

Episodic memories are multifaceted and malleable, capable of being transformed with time and experience at both the neural level and psychological level. At the neural level, episodic memories are transformed from being dependent on the hippocampus to becoming represented in neocortical structures, such as the medial prefrontal cortex (mPFC), and back again, while at the psychological level, detailed, perceptually rich memories, are transformed to ones retaining only the gist of an experience or a schema related to it. Trace Transformation Theory (TTT) initially proposed that neural and psychological transformations are linked and proceed in tandem. Building on recent studies on the neurobiology of memory transformation in rodents and on the organization of the hippocampus and its functional cortical connectivity in humans, we present an updated version of TTT that is more precise and detailed with respect to the dynamic processes and structures implicated in memory transformation. At the heart of the updated TTT lies the long axis of the hippocampus whose functional differentiation and connectivity to neocortex make it a hub for memory formation and transformation. The posterior hippocampus, connected to perceptual and spatial representational systems in posterior neocortex, supports fine, perceptually rich, local details of memories; the anterior hippocampus, connected to conceptual systems in anterior neocortex, supports coarse, global representations that constitute the gist of a memory. Notable among the anterior structures is the medial prefrontal cortex which supports representation of schemas that code for common aspects of memories across different episodes. Linking the aHPC with mPFC is the entorhinal cortex (EC) which conveys information needed for the interaction/translation between gist and schemas. Thus, the long axis of the hippocampus, mPFC and EC provide the representational gradient, from fine to coarse and from perceptual to conceptual, that can implement processes implicated in memory transformation. Each of these representations of an episodic memory can co-exist with one another and be in dynamic flux as they interact with one another throughout the memory's lifetime, going from detailed to schematic and possibly back again, all mediated by corresponding changes in neural representation. Copyright © 2018 Elsevier B.V. All rights reserved.

High-pressure phase transition in silicon carbide under shock loading using ultrafast x-ray diffraction

NASA Astrophysics Data System (ADS)

Tracy, S. J.; Smith, R. F.; Wicks, J. K.; Fratanduono, D. E.; Gleason, A. E.; Bolme, C.; Speziale, S.; Appel, K.; Prakapenka, V. B.; Fernandez Panella, A.; Lee, H. J.; MacKinnon, A.; Eggert, J.; Duffy, T. S.

2017-12-01

The behavior of silicon carbide (SiC) under shock loading was investigated through a series of time-resolved pump-probe x-ray diffraction (XRD) measurements. SiC is found at impact sites and has been put forward as a possible constituent in the proposed class of extra-solar planets known as carbon planets. Previous studies have used wave profile measurements to identify a phase transition under shock loading near 1 Mbar, but crystal structure information was not obtained. We have carried out an in situ XRD study of shock-compressed SiC using the Matter in Extreme Conditions instrument of the Linac Coherent Light Source. The femtosecond time resolution of the x-ray free electron laser allows for the determination of time-dependent atomic arrangements during shock loading and release. Two high-powered lasers were used to generate ablation-driven compression waves in the samples. Time scans were performed using the same drive conditions and nominally identical targets. For each shot in a scan, XRD data was collected at a different probe time after the shock had entered the SiC. Probe times extended up to 40 ns after release. Scans were carried out for peak pressures of 120 and 185 GPa. Our results demonstrate that SiC transforms directly from the ambient tetrahedrally-coordinated phase to the octahedral B1 structure on the nanosecond timescale of laser-drive experiments and reverts to the tetrahedrally coordinated ambient phase within nanoseconds of release. The data collected at 120 GPa exhibit diffraction peaks from both compressed ambient phase and transformed B1 phase, while the data at 185 GPa show a complete transformation to the B1 phase. Densities determined from XRD peaks are in agreement with an extrapolation of previous continuum data as well as theoretical predictions. Additionally, a high degree of texture was retained in both the high-pressure phase as well as on back transformation. Two-dimensional fits to the XRD data reveal details of the orientational relationships between the low- and high-pressure phases that can be interpreted to provide information about transformation pathways between tetrahedral and octahedral coordination structures. We acknowledge support for this work from SLAC National Accelerator Laboratory, Lawrence Livermore National Laboratory, and Los Alamos National Laboratory.

Digital transceiver implementation for wavelet packet modulation

NASA Astrophysics Data System (ADS)

Lindsey, Alan R.; Dill, Jeffrey C.

1998-03-01

Current transceiver designs for wavelet-based communication systems are typically reliant on analog waveform synthesis, however, digital processing is an important part of the eventual success of these techniques. In this paper, a transceiver implementation is introduced for the recently introduced wavelet packet modulation scheme which moves the analog processing as far as possible toward the antenna. The transceiver is based on the discrete wavelet packet transform which incorporates level and node parameters for generalized computation of wavelet packets. In this transform no particular structure is imposed on the filter bank save dyadic branching, and a maximum level which is specified a priori and dependent mainly on speed and/or cost considerations. The transmitter/receiver structure takes a binary sequence as input and, based on the desired time- frequency partitioning, processes the signal through demultiplexing, synthesis, analysis, multiplexing and data determination completely in the digital domain - with exception of conversion in and out of the analog domain for transmission.

Inverse scattering transform for the time dependent Schrödinger equation with applications to the KPI equation

NASA Astrophysics Data System (ADS)

Zhou, Xin

1990-03-01

For the direct-inverse scattering transform of the time dependent Schrödinger equation, rigorous results are obtained based on an opertor-triangular-factorization approach. By viewing the equation as a first order operator equation, similar results as for the first order n x n matrix system are obtained. The nonlocal Riemann-Hilbert problem for inverse scattering is shown to have solution.

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

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

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.

2015-12-11

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surfacemore » layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.« less

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

NASA Astrophysics Data System (ADS)

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-12-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.

Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

PubMed Central

Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

2015-01-01

Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. Our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments. PMID:26655832

Estimating Eulerian spectra from pairs of drifters

NASA Astrophysics Data System (ADS)

LaCasce, Joe

2017-04-01

GPS-tracked surface drifters offer the possibility of sampling energetic variations at the ocean surface on scales of only 10s of meters, much less than that resolved by satellite. Here we investigate whether velocity differences between pairs of drifters can be used to estimate kinetic energy spectra. Theoretical relations between the spectrum and the second-order longitudinal structure function for 2D non-divergent flow are derived. The structure function is a natural statistic for particle pairs and is easily calculated. However it integrates contributions across wavenumber, and this tends to obscure the spectral dependencies when turbulent inertial ranges are of finite extent. Nevertheless, the transform from spectrum to structure function is robust, as illustrated with Eulerian data collected from aircraft. The inverse transform, from structure function to spectrum, is much less robust, yielding poor results in particular at large wavenumbers. This occurs because the transform involves a filter function which magnifies contributions from large pair separations, which tend to be noisy. Fitting the structure function to a polynomial improves the spectral estimate, but not sufficiently to distinguish correct inertial range dependencies. Thus with Lagrangian data, it is appears preferable to focus on structure functions, despite their shortcomings.

Seismo-thermo-mechanical modeling of mature and immature transform faults

NASA Astrophysics Data System (ADS)

Preuss, Simon; Gerya, Taras; van Dinther, Ylona

2016-04-01

Transform faults (TF) are subdivided into continental and oceanic ones due to their markedly different tectonic position, structure, surface expression, dynamics and seismicity. Both continental and oceanic TFs are zones of rheological weakness, which is a pre-requisite for their existence and long-term stability. Compared to subduction zones, TFs are typically characterized by smaller earthquake magnitudes as both their potential seismogenic width and length are reduced. However, a few very large magnitude (Mw>8) strike-slip events were documented, which are presumably related to the generation of new transform boundaries and/or sudden reactivation of pre-existing fossil structures. In particular, the 11 April 2012 Sumatra Mw 8.6 earthquake is challenging the general concept that such high magnitude events only occur at megathrusts. Hence, the processes of TF nucleation, propagation and their direct relation to the seismic cycle and long-term deformation at both oceanic and continental transforms needs to be investigated jointly to overcome the restricted direct observations in time and space. To gain fundamental understanding of involved physical processes the numerical seismo-thermo-mechanical (STM) modeling approach, validated in a subduction zone setting (Van Dinther et al. 2013), will be adapted for TFs. A simple 2D plane view model geometry using visco-elasto-plastic material behavior will be adopted. We will study and compare seismicity patterns and evolution in two end member TF setups, each with strain-dependent and rate-dependent brittle-plastic weakening processes: (1) A single weak and mature transform fault separating two strong plates (e.g., in between oceanic ridges) and (2) A nucleating or evolving (continental) TF system with disconnected predefined faults within a plate subjected to simple shear deformation (e.g., San Andreas Fault system). The modeling of TFs provides a first tool to establish the STM model approach for transform faults in a more general case.

A rapid, highly efficient and economical method of Agrobacterium-mediated in planta transient transformation in living onion epidermis.

PubMed

Xu, Kedong; Huang, Xiaohui; Wu, Manman; Wang, Yan; Chang, Yunxia; Liu, Kun; Zhang, Ju; Zhang, Yi; Zhang, Fuli; Yi, Liming; Li, Tingting; Wang, Ruiyue; Tan, Guangxuan; Li, Chengwei

2014-01-01

Transient transformation is simpler, more efficient and economical in analyzing protein subcellular localization than stable transformation. Fluorescent fusion proteins were often used in transient transformation to follow the in vivo behavior of proteins. Onion epidermis, which has large, living and transparent cells in a monolayer, is suitable to visualize fluorescent fusion proteins. The often used transient transformation methods included particle bombardment, protoplast transfection and Agrobacterium-mediated transformation. Particle bombardment in onion epidermis was successfully established, however, it was expensive, biolistic equipment dependent and with low transformation efficiency. We developed a highly efficient in planta transient transformation method in onion epidermis by using a special agroinfiltration method, which could be fulfilled within 5 days from the pretreatment of onion bulb to the best time-point for analyzing gene expression. The transformation conditions were optimized to achieve 43.87% transformation efficiency in living onion epidermis. The developed method has advantages in cost, time-consuming, equipment dependency and transformation efficiency in contrast with those methods of particle bombardment in onion epidermal cells, protoplast transfection and Agrobacterium-mediated transient transformation in leaf epidermal cells of other plants. It will facilitate the analysis of protein subcellular localization on a large scale.

Stokes' theorem, gauge symmetry and the time-dependent Aharonov-Bohm effect

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

Macdougall, James, E-mail: jbm34@mail.fresnostate.edu; Singleton, Douglas, E-mail: dougs@csufresno.edu

2014-04-15

Stokes' theorem is investigated in the context of the time-dependent Aharonov-Bohm effect—the two-slit quantum interference experiment with a time varying solenoid between the slits. The time varying solenoid produces an electric field which leads to an additional phase shift which is found to exactly cancel the time-dependent part of the usual magnetic Aharonov-Bohm phase shift. This electric field arises from a combination of a non-single valued scalar potential and/or a 3-vector potential. The gauge transformation which leads to the scalar and 3-vector potentials for the electric field is non-single valued. This feature is connected with the non-simply connected topology ofmore » the Aharonov-Bohm set-up. The non-single valued nature of the gauge transformation function has interesting consequences for the 4-dimensional Stokes' theorem for the time-dependent Aharonov-Bohm effect. An experimental test of these conclusions is proposed.« less

FAST TRACK COMMUNICATION: Field dependence of temperature induced irreversible transformations of magnetic phases in Pr0.5Ca0.5Mn0.975Al0.025O3 crystalline oxide

NASA Astrophysics Data System (ADS)

Lakhani, Archana; Kushwaha, Pallavi; Rawat, R.; Kumar, Kranti; Banerjee, A.; Chaddah, P.

2010-01-01

Glass-like arrest has recently been reported in various magnetic materials. As in structural glasses, the kinetics of a first order transformation is arrested while retaining the higher entropy phase as a non-ergodic state. We show visual mesoscopic evidence of the irreversible transformation of the arrested antiferromagnetic-insulating phase in Pr0.5Ca0.5Mn0.975Al0.025O3 to its equilibrium ferromagnetic-metallic phase with an isothermal increase of magnetic field, similar to its iso-field transformation on warming. The magnetic field dependence of the non-equilibrium to equilibrium transformation temperature is shown to be governed by Le Chatelier's principle.

Electron interference effects in energetic photoelectrons from C60@C240 probed by the Fourier spectroscopy

NASA Astrophysics Data System (ADS)

McCreary, Meghan; Chakraborty, Himadri

2013-05-01

The ground state structure of the simplest two-fullerene onion system, the C60@C240 molecule, is solved in the Kohn-Sham framework of local density approximation (LDA). Calculations are carried out with delocalized carbon valence electrons after modeling the onion ion-core of sixty C4+ ions from C60 and two hundred and forty of those from C240 in a smeared out jellium-type double-shell structure. Ionization cross sections of all the levels are then calculated in both independent particle LDA and many-particle time dependent LDA approaches at photon energies above the plasmon resonances. These high-energy results exhibit rich structures of energy dependent oscillations from the quantum interference of electron waves produced at the edges of the fullerene layers. A detailed scrutiny of these structures is conducted by Fourier transforming the spectra to the configuration space that relates the oscillations to the onion geometry. Supported by NSF and DOE.

A survey of kernel-type estimators for copula and their applications

NASA Astrophysics Data System (ADS)

Sumarjaya, I. W.

2017-10-01

Copulas have been widely used to model nonlinear dependence structure. Main applications of copulas include areas such as finance, insurance, hydrology, rainfall to name but a few. The flexibility of copula allows researchers to model dependence structure beyond Gaussian distribution. Basically, a copula is a function that couples multivariate distribution functions to their one-dimensional marginal distribution functions. In general, there are three methods to estimate copula. These are parametric, nonparametric, and semiparametric method. In this article we survey kernel-type estimators for copula such as mirror reflection kernel, beta kernel, transformation method and local likelihood transformation method. Then, we apply these kernel methods to three stock indexes in Asia. The results of our analysis suggest that, albeit variation in information criterion values, the local likelihood transformation method performs better than the other kernel methods.

Temperature Dependence of the Structural Parameters in the Transformation of Aragonite to Calcite, as Determined from In Situ Synchrotron Powder X-ray-Diffratction Data

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

Antao, Sytle M.; Hassan, Ishmael; West Indies)

The temperature dependency of the crystal structure and the polymorphic transition of CaCO{sub 3} from aragonite to calcite were studied using Rietveld structure refinement and high-temperature in situ synchrotron powder X-ray-diffraction data at ambient pressure, P. The orthorhombic metastable aragonite at room P, space group Pmcn, transforms to trigonal calcite, space group R{bar 3}c, at about T{sub c} = 468 C. This transformation occurs rapidly; it starts at about 420 C and is completed by 500 C, an 80 C interval that took about 10 minutes using a heating rate of 8 C/min. Structurally, from aragonite to calcite, the distributionmore » of the Ca atom changes from approximately hexagonal to cubic close-packing. A 5.76% discontinuous increase in volume accompanies the reconstructive first-order transition. Besides the change in coordination of the Ca atom from nine to six from aragonite to calcite, the CO{sub 3} groups change by a 30{sup o} rotation across the transition.« less

Time-Dependent ATR-FTIR Spectroscopic Studies on Fatty Acid Diffusion and the Formation of Metal Soaps in Oil Paint Model Systems.

PubMed

Baij, Lambert; Hermans, Joen J; Keune, Katrien; Iedema, Piet

2018-06-18

The formation of metal soaps (metal complexes of saturated fatty acids) is a serious problem affecting the appearance and structural integrity of many oil paintings. Tailored model systems for aged oil paint and time-dependent attenuated total reflection Fourier transform infrared (ATR-FTIR) spectroscopy were used to study the diffusion of palmitic acid and subsequent metal soap crystallization. The simultaneous presence of free saturated fatty acids and polymer-bound metal carboxylates leads to rapid metal soap crystallization, following a complex mechanism that involves both acid and metal diffusion. Solvent flow, water, and pigments all enhance metal soap crystallization in the model systems. These results contribute to the development of paint cleaning strategies, a better understanding of oil paint degradation, and highlight the potential of time-dependent ATR-FTIR spectroscopy for studying dynamic processes in polymer films. © 2018 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA.

[EEG correlates of geno-phenotypical features of the brain development in children of the native and newcomers' population of the Russian North-East].

PubMed

Soroko, S I; Bekshaev, S S; Rozhkov, V P

2012-01-01

Traditional and original methods of EEG analysis were used to study the brain electrical activity maturation in 156 children and adolescents from 7 to 17 years old who represented the native (Koryaks and Evenks) and newcomers' populations living in severe climatic and geographic conditions of the Russian North-East. New data revealing age-, sex- and ethnic-related features in quantitative EEG parameters are presented. Markers are obtained that characterize alterations in the structure of interaction between different EEG rhythms. The results demonstrate age-dependent transformation of this structure separated in time for both different cortical areas and different EEG frequency bands. These alterations show time lag from 2 to 3 years in children of native population compared to the newcomers. The revealed differences are assumed to reflect geno-phenotypical features of morpho-functional CNS development in children of the native and newcomers' population that depend on strong adaptation tension for extreme environmental conditions.

High-Resolution Mapping of Thermal History in Polymer Nanocomposites: Gold Nanorods as Microscale Temperature Sensors.

PubMed

Kennedy, W Joshua; Slinker, Keith A; Volk, Brent L; Koerner, Hilmar; Godar, Trenton J; Ehlert, Gregory J; Baur, Jeffery W

2015-12-23

A technique is reported for measuring and mapping the maximum internal temperature of a structural epoxy resin with high spatial resolution via the optically detected shape transformation of embedded gold nanorods (AuNRs). Spatially resolved absorption spectra of the nanocomposites are used to determine the frequencies of surface plasmon resonances. From these frequencies the AuNR aspect ratio is calculated using a new analytical approximation for the Mie-Gans scattering theory, which takes into account coincident changes in the local dielectric. Despite changes in the chemical environment, the calculated aspect ratio of the embedded nanorods is found to decrease over time to a steady-state value that depends linearly on the temperature over the range of 100-200 °C. Thus, the optical absorption can be used to determine the maximum temperature experienced at a particular location when exposure times exceed the temperature-dependent relaxation time. The usefulness of this approach is demonstrated by mapping the temperature of an internally heated structural epoxy resin with 10 μm lateral spatial resolution.

In Situ Observation of High-Pressure Phase Transitions in SiO2 Under Shock Loading Using Time Resolved X-Ray Diffraction

NASA Astrophysics Data System (ADS)

Tracy, S. J.; Turneaure, S.; Duffy, T. S.

2016-12-01

Quartz is one of the most abundant minerals in Earth's crust and serves as an archetype for silicate minerals generally. The shock metamorphism of silica is important for understanding and interpreting meteorite impact events. Shock compression of quartz is characterized by a phase transition occurring over a broad mixed-phase region ( 10-40 GPa). Despite decades of study, the nature of this transformation and the structure of the high-pressure phase remain poorly understood. In situ x-ray diffraction data on shock-compressed SiO2 was collected at the Dynamic Compression Sector at the Advanced Photon Source. The behavior both single crystal alpha-quartz and fused silica was investigated under dynamic loading through a series real-time synchrotron x-ray diffraction measurements during peak stresses up to 65 GPa. A two-stage light gas gun was used to accelerate LiF flyer plates that impacted the SiO2 samples resulting in a propagating step-like increase in pressure and temperature behind the shock front. Four consecutive x-ray frames, separated by 153 ns, were collected during the transient loading and unloading. These measurements allow for the determination of time-dependent atomic arrangements, demonstrating that both amorphous silica as well as crystalline alpha-quartz transform to stishovite above 36 GPa. These measurements reveal important information about the role of kinetics as well texture development and potential defect structures in the transformed material.

Magnetic and structural properties of glass-coated Heusler-type microwires exhibiting martensitic transformation.

PubMed

Zhukov, A; Ipatov, M; Del Val, J J; Zhukova, V; Chernenko, V A

2018-01-12

We have studied magnetic and structural properties of the Heusler-type Ni-Mn-Ga glass-coated microwires prepared by Tailor-Ulitovsky technique. As-prepared sample presents magnetoresistance effect and considerable dependence of magnetization curves (particularly magnetization values) on magnetic field attributed to the magnetic and atomic disorder. Annealing strongly affects the temperature dependence of magnetization and Curie temperature of microwires. After annealing of the microwires at 973 K, the Curie temperature was enhanced to about 280 K which is beneficial for the magnetic solid state refrigeration. The observed hysteretic anomalies on the temperature dependences of resistance and magnetization in the as-prepared and annealed samples are produced by the martensitic transformation. The magnetoresistance and magnetocaloric effects have been investigated to illustrate a potential technological capability of studied microwires.

Driving force behind adsorption-induced protein unfolding: a time-resolved X-ray reflectivity study on lysozyme adsorbed at an air/water interface.

PubMed

Yano, Yohko F; Uruga, Tomoya; Tanida, Hajime; Toyokawa, Hidenori; Terada, Yasuko; Takagaki, Masafumi; Yamada, Hironari

2009-01-06

Time-resolved X-ray reflectivity measurements for lysozyme (LSZ) adsorbed at an air/water interface were performed to study the mechanism of adsorption-induced protein unfolding. The time dependence of the density profile at the air/water interface revealed that the molecular conformation changed significantly during adsorption. Taking into account previous work using Fourier transform infrared (FTIR) spectroscopy, we propose that the LSZ molecules initially adsorbed on the air/water interface have a flat unfolded structure, forming antiparallel beta-sheets as a result of hydrophobic interactions with the gas phase. In contrast, as adsorption continues, a second layer forms in which the molecules have a very loose structure having random coils as a result of hydrophilic interactions with the hydrophilic groups that protrude from the first layer.

On systems having Poincaré and Galileo symmetry

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

Holland, Peter, E-mail: peter.holland@gtc.ox.ac.uk

Using the wave equation in d≥1 space dimensions it is illustrated how dynamical equations may be simultaneously Poincaré and Galileo covariant with respect to different sets of independent variables. This provides a method to obtain dynamics-dependent representations of the kinematical symmetries. When the field is a displacement function both symmetries have a physical interpretation. For d=1 the Lorentz structure is utilized to reveal hitherto unnoticed features of the non-relativistic Chaplygin gas including a relativistic structure with a limiting case that exhibits the Carroll group, and field-dependent symmetries and associated Noether charges. The Lorentz transformations of the potentials naturally associated withmore » the Chaplygin system are given. These results prompt the search for further symmetries and it is shown that the Chaplygin equations support a nonlinear superposition principle. A known spacetime mixing symmetry is shown to decompose into label-time and superposition symmetries. It is shown that a quantum mechanical system in a stationary state behaves as a Chaplygin gas. The extension to d>1 is used to illustrate how the physical significance of the dual symmetries is contingent on the context by showing that Maxwell’s equations exhibit an exact Galileo covariant formulation where Lorentz and gauge transformations are represented by field-dependent symmetries. A natural conceptual and formal framework is provided by the Lagrangian and Eulerian pictures of continuum mechanics.« less

Transformational capacity and the influence of place and identity

NASA Astrophysics Data System (ADS)

Marshall, N. A.; Park, S. E.; Adger, W. N.; Brown, K.; Howden, S. M.

2012-09-01

Climate change is altering the productivity of natural resources with far-reaching implications for those who depend on them. Resource-dependent industries and communities need the capacity to adapt to a range of climate risks if they are to remain viable. In some instances, the scale and nature of the likely impacts means that transformations of function or structure will be required. Transformations represent a switch to a distinct new system where a different suite of factors become important in the design and implementation of response strategies. There is a critical gap in knowledge on understanding transformational capacity and its influences. On the basis of current knowledge on adaptive capacity we propose four foundations for measuring transformational capacity: (1) how risks and uncertainty are managed, (2) the extent of skills in planning, learning and reorganizing, (3) the level of financial and psychological flexibility to undertake change and (4) the willingness to undertake change. We test the influence of place attachment and occupational identity on transformational capacity using the Australian peanut industry, which is presently assessing significant structural change in response to predicted climatic changes. Survey data from 88% of peanut farmers in Queensland show a strong negative correlation between transformational capacity and both place attachment and occupational attachment, suggesting that whilst these factors may be important positive influences on the capacity to adapt to incremental change, they act as barriers to transformational change.

Biolistic transformation of cotton zygotic embryo meristem

USDA-ARS?s Scientific Manuscript database

Biolistic transformation of cotton meristems, isolated from mature seed is detailed in this book chapter. This method is simple and avoids the necessity to use genotype-dependent regenerable cell cultures. However, identification of germ line transformation using this method is laborious and time-c...

A novel structure of transmission line pulse transformer with mutually coupled windings.

PubMed

Yu, Binxiong; Su, Jiancang; Li, Rui; Zhao, Liang; Zhang, Xibo; Wang, Junjie

2014-03-01

A novel structure of transmission line transformer (TLT) with mutually coupled windings is described in this paper. All transmission lines except the first stage of the transformer are wound on a common ferrite core for the TLT with this structure. A referral method was introduced to analyze the TLT with this structure, and an analytic expression of the step response was derived. It is shown that a TLT with this structure has a significantly slower droop rate than a TLT with other winding structures and the number of ferrite cores needed is largely reduced. A four-stage TLT with this structure was developed, whose input and output impedance were 4.2 Ω and 67.7 Ω, respectively. A frequency response test of the TLT was carried out. The test results showed that pulse response time of the TLT is several nanoseconds. The TLT described in this paper has the potential to be used as a rectangle pulse transformer with very fast response time.

A Rapid, Highly Efficient and Economical Method of Agrobacterium-Mediated In planta Transient Transformation in Living Onion Epidermis

PubMed Central

Xu, Kedong; Huang, Xiaohui; Wu, Manman; Wang, Yan; Chang, Yunxia; Liu, Kun; Zhang, Ju; Zhang, Yi; Zhang, Fuli; Yi, Liming; Li, Tingting; Wang, Ruiyue; Tan, Guangxuan; Li, Chengwei

2014-01-01

Transient transformation is simpler, more efficient and economical in analyzing protein subcellular localization than stable transformation. Fluorescent fusion proteins were often used in transient transformation to follow the in vivo behavior of proteins. Onion epidermis, which has large, living and transparent cells in a monolayer, is suitable to visualize fluorescent fusion proteins. The often used transient transformation methods included particle bombardment, protoplast transfection and Agrobacterium-mediated transformation. Particle bombardment in onion epidermis was successfully established, however, it was expensive, biolistic equipment dependent and with low transformation efficiency. We developed a highly efficient in planta transient transformation method in onion epidermis by using a special agroinfiltration method, which could be fulfilled within 5 days from the pretreatment of onion bulb to the best time-point for analyzing gene expression. The transformation conditions were optimized to achieve 43.87% transformation efficiency in living onion epidermis. The developed method has advantages in cost, time-consuming, equipment dependency and transformation efficiency in contrast with those methods of particle bombardment in onion epidermal cells, protoplast transfection and Agrobacterium-mediated transient transformation in leaf epidermal cells of other plants. It will facilitate the analysis of protein subcellular localization on a large scale. PMID:24416168

Closed-edged bilayer phosphorene nanoribbons producing from collapsing armchair phosphorene nanotubes.

PubMed

Liao, Xiangbiao; Xiao, Hang; Lu, Xiaobo; Chen, Youlong; Shi, Xiaoyang; Chen, Xi

2018-02-23

A new phosphorous allotrope, closed-edged bilayer phosphorene nanoribbon, is proposed via radially deforming armchair phosphorene nanotubes. Using molecular dynamics simulations, the transformation pathway from round PNTs falls into two types of collapsed structures: arc-like and sigmoidal bilayer nanoribbons, dependent on the number of phosphorene unit cells. The fabricated nanoribbions are energetically more stable than their parent nanotubes. It is also found via ab initio calculations that the band structure along tube axis substantially changes with the structural transformation. The direct-to-indirect transition of band gap is highlighted when collapsing into the arc-like nanoribbons but not the sigmoidal ones. Furthermore, the band gaps of these two types of nanoribbons show significant size-dependence of the nanoribbon width, indicative of wider tunability of their electrical properties.

The mechanism of transforming diamond nanowires to carbon nanostructures.

PubMed

Sorkin, Anastassia; Su, Haibin

2014-01-24

The transformation of diamond nanowires (DNWs) with different diameters and geometries upon heating is investigated with density-functional-based tight-binding molecular dynamics. DNWs of {100} and {111} oriented cross-section with projected average line density between 7 and 20 atoms Å(-1) transform into carbon nanotubes (CNTs) under gradual heating up to 3500-4000 K. DNWs with projected average line density larger than 25 atoms Å(-1) transform into double-wall CNTs. The route of transformation into CNTs clearly exhibits three stages, with the intriguing intermediate structural motif of a carbon nanoscroll (CNS). Moreover, the morphology plays an important role in the transformation involving the CNS as one important intermediate motif to form CNTs. When starting with [Formula: see text] oriented DNWs with a square cross-section consisting of two {111} facets facing each other, one interesting structure with 'nano-bookshelf' shape emerges: a number of graphene 'shelves' located inside the CNT, bonding to the CNT walls with sp(3) hybridized atoms. The nano-bookshelf structures exist in a wide range of temperatures up to 3,000 K. The further transformation from nano-bookshelf structures depends on the strength of the joints connecting shelves with CNT walls. Notably, the nano-bookshelf structure can evolve into two end products: one is CNT via the CNS pathway, the other is graphene transformed directly from the nano-bookshelf structure at high temperature. This work sheds light on the microscopic insight of carbon nanostructure formation mechanisms with the featured motifs highlighted in the pathways.

Dynamics of Ice/Water Confined in Nanoporous Alumina.

PubMed

Suzuki, Yasuhito; Steinhart, Martin; Graf, Robert; Butt, Hans-Jürgen; Floudas, George

2015-11-19

Dielectric (DS), IR spectroscopy, and (1)H MAS NMR are employed in the study of ice/water confined in nanoporous alumina with pore diameters ranging from 400 nm down to 25 nm. Within nanoporous alumina there is a transformation from heterogeneous nucleation of hexagonal ice in the larger pores to homogeneous nucleation of cubic ice in the smaller pores. DS and IR show excellent agreement in the temperature interval and pore size dependence of the transformation. DS further revealed two dynamic processes under confinement. The "fast" and "slow" processes with an Arrhenius temperature dependence are attributed to ice and supercooled water relaxation, respectively. The main relaxation process of ice under confinement ("slow" process) has an activation energy of 44 ± 2 kJ/mol. The latter is in agreement with the reported relaxation times and activation energy of cubic ice prepared following a completely different route (by pressure). (1)H MAS NMR provided new insight in the state of ice structures as well as of supercooled water. Under confinement, a layer of liquid-like water coexists with ice structures. In addition, both ice structures under confinement appear to be more ordered than bulk hexagonal ice. Supercooled water in the smaller pores is different from bulk water. It shows a shift of the signal toward higher chemical shift values which may suggest stronger hydrogen bonding between the water molecules or increasing interactions with the AAO walls.

Structure, phase transformations, mechanical characteristics, and cold resistance of low-carbon martensitic steels

NASA Astrophysics Data System (ADS)

Kozvonin, V. A.; Shatsov, A. A.; Ryaposov, I. V.; Zakirova, M. G.; Generalova, K. N.

2016-08-01

Temper-resistant low-carbon Cr-Mn-Ni-Mo-V-Nb steels with concentrations of carbon of 0.15 and 0.27 wt % have been studied. It has been shown that, upon quenching, various morphological types of the α phase can be formed. The structure of the steels is stable in the course of heating below critical temperatures and remains a lath-type structure in the intercritical temperature range. Specific features of structural and phase transformations, as well as the dependence of the mechanical characteristics of the steels, on the tempering temperature have been determined.

Analytical approaches to the determination of spin-dependent parton distribution functions at NNLO approximation

NASA Astrophysics Data System (ADS)

Salajegheh, Maral; Nejad, S. Mohammad Moosavi; Khanpour, Hamzeh; Tehrani, S. Atashbar

2018-05-01

In this paper, we present SMKA18 analysis, which is a first attempt to extract the set of next-to-next-leading-order (NNLO) spin-dependent parton distribution functions (spin-dependent PDFs) and their uncertainties determined through the Laplace transform technique and Jacobi polynomial approach. Using the Laplace transformations, we present an analytical solution for the spin-dependent Dokshitzer-Gribov-Lipatov-Altarelli-Parisi evolution equations at NNLO approximation. The results are extracted using a wide range of proton g1p(x ,Q2) , neutron g1n(x ,Q2) , and deuteron g1d(x ,Q2) spin-dependent structure functions data set including the most recent high-precision measurements from COMPASS16 experiments at CERN, which are playing an increasingly important role in global spin-dependent fits. The careful estimations of uncertainties have been done using the standard Hessian error propagation. We will compare our results with the available spin-dependent inclusive deep inelastic scattering data set and other results for the spin-dependent PDFs in literature. The results obtained for the spin-dependent PDFs as well as spin-dependent structure functions are clearly explained both in the small and large values of x .

Study of the Structural Stability in Intermetallics Using Displacive Transformation Paths

NASA Astrophysics Data System (ADS)

Sob, M.; Wang, L. G.; Vitek, V.

1997-03-01

Relative structural stability of TiAl, FeAl, NiAl and NiTi is studied by investigating displacive phase transformation paths. These include the well known tetragonal (Bain's) and trigonal deformation paths which correspond to large homogeneous straining, and also more complex paths that include the shuffling of atomic planes. The results of full-potential APW total energy calculations show that all higher-energy cubic structures studied are locally unstable with respect to some deformation modes. There may or may not be symmetry-dictated energy extrema corresponding to cubic lattices depending on the atomic ordering. However, other energy extrema that are not imposed by symmetry requirements occur along the transformation paths. Configurations corresponding to energy minima may represent metastable structures that can play an important role in interfaces and other extended defects.

Dynamical Instability Produces Transform Faults at Mid-Ocean Ridges

NASA Astrophysics Data System (ADS)

Gerya, Taras

2010-08-01

Transform faults at mid-ocean ridges—one of the most striking, yet enigmatic features of terrestrial plate tectonics—are considered to be the inherited product of preexisting fault structures. Ridge offsets along these faults therefore should remain constant with time. Here, numerical models suggest that transform faults are actively developing and result from dynamical instability of constructive plate boundaries, irrespective of previous structure. Boundary instability from asymmetric plate growth can spontaneously start in alternate directions along successive ridge sections; the resultant curved ridges become transform faults within a few million years. Fracture-related rheological weakening stabilizes ridge-parallel detachment faults. Offsets along the transform faults change continuously with time by asymmetric plate growth and discontinuously by ridge jumps.

Ultrafast dynamic response of single-crystal β-HMX (octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine)

NASA Astrophysics Data System (ADS)

Zaug, Joseph M.; Austin, Ryan A.; Armstrong, Michael R.; Crowhurst, Jonathan C.; Goldman, Nir; Ferranti, Louis; Saw, Cheng K.; Swan, Raymond A.; Gross, Richard; Fried, Laurence E.

2018-05-01

We report experimental and computational studies of shock wave dynamics in single-crystal β-HMX on an ultrafast time scale. Here, a laser-based compression drive (˜1 ns in duration; stresses of up to ˜40 GPa) is used to propagate shock waves normal to the (110) and (010) lattice planes. Ultrafast time-domain interferometry measurements reveal distinct, time-dependent relationships between the shock wave velocity and particle velocity for each crystal orientation, which suggest evolving physical processes on a sub-nanosecond time scale. To help interpret the experimental data, elastic shock wave response was simulated using a finite-strain model of crystal thermoelasticity. At early propagation times (<500 ps), the model is in agreement with the data, which indicates that the mechanical response is dominated by thermoelastic deformation. The model agreement depends on the inclusion of nonlinear elastic effects in both the spherical and deviatoric stress-strain responses. This is achieved by employing an equation-of-state and a pressure-dependent stiffness tensor, which was computed via atomistic simulation. At later times (>500 ps), the crystal samples exhibit signatures of inelastic deformation, structural phase transformation, or chemical reaction, depending on the direction of wave propagation.

Frequency-dependent FDTD methods using Z transforms

NASA Technical Reports Server (NTRS)

Sullivan, Dennis M.

1992-01-01

While the frequency-dependent finite-difference time-domain, or (FD)2TD, method can correctly calculate EM propagation through media whose dielectric properties are frequency-dependent, more elaborate applications lead to greater (FD)2TD complexity. Z-transform theory is presently used to develop the mathematical bases of the (FD)2TD method, simultaneously obtaining a clearer formulation and allowing researchers to draw on the existing literature of systems analysis and signal-processing.

First-order martensitic transformation in Heusler-type glass-coated microwires

NASA Astrophysics Data System (ADS)

Zhukov, A.; Ipatov, M.; del Val, J. J.; Taskaev, S.; Churyukanova, M.; Zhukova, V.

2017-12-01

Properly annealed Ni-Mn-Ga glass-covered microwires exhibit a hysteretic anomaly on the temperature dependence of magnetization attributed to the first order martensitic transformation. The temperatures of the structural and magnetic transitions are drastically affected by annealing conditions. Annealed glass-coated Ni-Mn-Ga microwires show a Curie temperature shift close to room temperature. The temperature and magnetic field dependences of magnetization are discussed in terms of atomic disorder, the release of internal stresses, and recrystallization after annealing.

Collisional Processes Probed by using Resonant Four-Wave Mixing Spectroscopy

NASA Astrophysics Data System (ADS)

McCormack, E. F.; Stampanoni, A.; Hemmerling, B.

2000-06-01

Collisionally-induced decay processes in excited-state nitric oxide (NO) have been measured by using time-resolved two-color, resonant four-wave mixing (TC-RFWM) spectroscopy and polarization spectroscopy (PS). Markedly different time dependencies were observed in the data obtained by using TC-RFWM when compared to PS. Oscillations in the PS signal as a function of delay between the pump and probe laser pulses were observed and it was determined that their characteristics depend very sensitively on laser polarization. Analysis reveals that the oscillations in the decay curves are due to coherent excitation of unresolved hyperfine structure in the A state of NO. A comparison of beat frequencies obtained by taking Fourier transforms of the time data to the predicted hyperfine structure of the A state support this explanation. Further, based on a time-dependent model of PS as a FWM process, the signal’s dependence as a function of time on polarization configuration and excitation scheme can be predicted. By using the beat frequency values, fits of the model results to experimental decay curves for different pressures allows a study of the quenching rate in the A state due to collisional processes. A comparison of the PS data to laser-induced fluorescence decay measurements reveals different decay rates which suggests that the PS signal decay depends on the orientation and alignment of the excited molecules. The different behavior of the decay curves obtained by using TC-RFWM and PS can be understood in terms of the various contributions to the decay as described by the model and this has a direct bearing on which technique is preferable for a given set of experimental parameters.

Maneuvering thermal conductivity of magnetic nanofluids by tunable magnetic fields

NASA Astrophysics Data System (ADS)

Patel, Jaykumar; Parekh, Kinnari; Upadhyay, R. V.

2015-06-01

We report an experimental investigation of magnetic field dependent thermal conductivity of a transformer oil base magnetic fluid as a function of volume fractions. In the absence of magnetic field, thermal conductivity increases linearly with an increase in volume fraction, and magnitude of thermal conductivity thus obtained is lower than that predicted by Maxwell's theory. This reveals the presence of clusters/oligomers in the system. On application of magnetic field, it exhibits a non-monotonous increase in thermal conductivity. The results are interpreted using the concept of a two-step homogenization method (which is based on differential effective medium theory). The results show a transformation of particle cluster configuration from long chain like prolate shape to the aggregated drop-like structure with increasing concentration as well as a magnetic field. The aggregated drop-like structure for concentrated system is supported by optical microscopic images. This shape change of clusters reduces thermal conductivity enhancement. Moreover, this structure formation is observed as a dynamic phenomenon, and at 226 mT field, the length of the structure extends with time, becomes maximum, and then reduces. This change results in the increase or decrease of thermal conductivity.

A versatile approach to the study of the transient response of a submerged thin shell

NASA Astrophysics Data System (ADS)

Leblond, C.; Sigrist, J.-F.

2010-01-01

The transient response of submerged two-dimensional thin shell subjected to weak acoustical or mechanical excitations is addressed in this paper. The proposed approach is first exposed in a detailed manner: it is based on Laplace transform in time, in vacuo eigenvector expansion with time-dependent coefficients for the structural dynamics and boundary-integral formulation for the fluid. The projection of the fluid pressure on the in vacuo eigenvectors leads to a fully coupled system involving the modal time-dependent displacement coefficients, which are the problem unknowns. They are simply determined by matrix inversion in the Laplace domain. Application of the method to the response of a two-dimensional immersed shell to a weak acoustical excitation is then exposed: the proposed test-case corresponds to the design of immersed structures subjected to underwater explosions, which is of paramount importance in naval shipbuilding. Comparison of a numerical calculation based on the proposed approach with an analytical solution is exposed; versatility of the method is also highlighted by referring to "classical" FEM/FEM or FEM/BEM simulations. As a conspicuous feature of the method, calculation of the fluid response functions corresponding to a given geometry has to be performed once, allowing various simulations for different material properties of the structure, as well as for various excitations on the structure. This versatile approach can therefore be efficiently and extensively used for design purposes.

Variational study of fermionic and bosonic systems with non-Gaussian states: Theory and applications

NASA Astrophysics Data System (ADS)

Shi, Tao; Demler, Eugene; Ignacio Cirac, J.

2018-03-01

We present a new variational method for investigating the ground state and out of equilibrium dynamics of quantum many-body bosonic and fermionic systems. Our approach is based on constructing variational wavefunctions which extend Gaussian states by including generalized canonical transformations between the fields. The key advantage of such states compared to simple Gaussian states is presence of non-factorizable correlations and the possibility of describing states with strong entanglement between particles. In contrast to the commonly used canonical transformations, such as the polaron or Lang-Firsov transformations, we allow parameters of the transformations to be time dependent, which extends their regions of applicability. We derive equations of motion for the parameters characterizing the states both in real and imaginary time using the differential structure of the variational manifold. The ground state can be found by following the imaginary time evolution until it converges to a steady state. Collective excitations in the system can be obtained by linearizing the real-time equations of motion in the vicinity of the imaginary time steady-state solution. Our formalism allows us not only to determine the energy spectrum of quasiparticles and their lifetime, but to obtain the complete spectral functions and to explore far out of equilibrium dynamics such as coherent evolution following a quantum quench. We illustrate and benchmark this framework with several examples: a single polaron in the Holstein and Su-Schrieffer-Heeger models, non-equilibrium dynamics in the spin-boson and Kondo models, the superconducting to charge density wave phase transitions in the Holstein model.

An Introduction to Fast Fourier Transforms through the Study of Oscillating Reactions.

ERIC Educational Resources Information Center

Eastman, M. P.; And Others

1986-01-01

Discusses an experiment designed to introduce students to the basic principles of the fast Fourier transform and Fourier smoothing through transformation of time-dependent optical absorption data from an oscillating reaction. Uses the Belousov-Zhabotinskii reaction. Describes the experimental setup and data analysis techniques.

Transformation of membrane nanosurface of red blood cells under hemin action

NASA Astrophysics Data System (ADS)

Kozlova, Elena; Chernysh, Alexander; Moroz, Victor; Gudkova, Olga; Sergunova, Victoria; Kuzovlev, Artem

2014-08-01

Hemin is the product of hemoglobin oxidation. Some diseases may lead to a formation of hemin. The accumulation of hemin causes destruction of red blood cells (RBC) membranes. In this study the process of development of topological defects of RBC membranes within the size range from nanoscale to microscale levels is shown. The formation of the grain-like structures in the membrane (``grains'') with typical sizes of 120-200 nm was experimentally shown. The process of formation of ``grains'' was dependent on the hemin concentration and incubation time. The possible mechanism of membrane nanostructure alterations is proposed. The kinetic equations of formation and transformation of small and medium topological defects were analyzed. This research can be used to study the cell intoxication and analyze the action of various agents on RBC membranes.

Fourier transform infrared spectroscopy of 2'-deoxycytidine aggregates in CDCl3 solutions

NASA Astrophysics Data System (ADS)

Biemann, Lars; Häber, Thomas; Maydt, Daniela; Schaper, Klaus; Kleinermanns, Karl

2011-03-01

We investigated the self-aggregation of 2'-deoxy-3',5'-bis(tert-butyldimethylsilyl)-cytidine dC(TBDMS)2 in CDCl3 solutions by Fourier transform infrared (FT-IR) spectroscopy and report the formation of larger aggregates than dimers in this solvent for the first time. The hydrogen bonding patterns in these complexes, which occur with increasing concentration may serve as a model for DNA super-structures such as triplexes. From the IR spectra, wavelength dependent absolute extinction coefficients of the monomer, dimer as well as a contribution from larger clusters which are supposedly trimers are deduced on the basis of a simple deconvolution method. Our results are supported by RI-B3LYP/TZVP calculations within the conductorlike screening model framework, to account for solvent effects in the ab initio calculations.

The Effects of Ram-pressure Stripping and Supernova Winds on the Tidal Stirring of Disky Dwarfs: Enhanced Transformation into Dwarf Spheroidals

NASA Astrophysics Data System (ADS)

Kazantzidis, Stelios; Mayer, Lucio; Callegari, Simone; Dotti, Massimo; Moustakas, Leonidas A.

2017-02-01

A conclusive model for the formation of dwarf spheroidal (dSph) galaxies still remains elusive. Owing to their proximity to the massive spirals Milky Way (MW) and M31, various environmental processes have been invoked to explain their origin. In this context, the tidal stirring model postulates that interactions with MW-sized hosts can transform rotationally supported dwarfs, resembling present-day dwarf irregular (dIrr) galaxies, into systems with the kinematic and structural properties of dSphs. Using N-body+SPH simulations, we investigate the dependence of this transformation mechanism on the gas fraction, f gas, in the disk of the progenitor dwarf. Our numerical experiments incorporate for the first time the combined effects of radiative cooling, ram-pressure stripping, star formation, supernova (SN) winds, and a cosmic UV background. For a given orbit inside the primary galaxy, rotationally supported dwarfs with gas fractions akin to those of observed dIrrs (f gas ≳ 0.5), demonstrate a substantially enhanced likelihood and efficiency of transformation into dSphs relative to their collisionless (f gas = 0) counterparts. We argue that the combination of ram-pressure stripping and SN winds causes the gas-rich dwarfs to respond more impulsively to tides, augmenting their transformation. When f gas ≳ 0.5, disky dwarfs on previously unfavorable low-eccentricity or large-pericenter orbits are still able to transform. On the widest orbits, the transformation is incomplete; the dwarfs retain significant rotational support, a relatively flat shape, and some gas, naturally resembling transition-type systems. We conclude that tidal stirring constitutes a prevalent evolutionary mechanism for shaping the structure of dwarf galaxies within the currently favored CDM cosmological paradigm.

The Effects of Ram-pressure Stripping and Supernova Winds on the Tidal Stirring of Disky Dwarfs: Enhanced Transformation into Dwarf Spheroidals

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

Kazantzidis, Stelios; Mayer, Lucio; Callegari, Simone

A conclusive model for the formation of dwarf spheroidal (dSph) galaxies still remains elusive. Owing to their proximity to the massive spirals Milky Way (MW) and M31, various environmental processes have been invoked to explain their origin. In this context, the tidal stirring model postulates that interactions with MW-sized hosts can transform rotationally supported dwarfs, resembling present-day dwarf irregular (dIrr) galaxies, into systems with the kinematic and structural properties of dSphs. Using N -body+SPH simulations, we investigate the dependence of this transformation mechanism on the gas fraction, f {sub gas}, in the disk of the progenitor dwarf. Our numerical experimentsmore » incorporate for the first time the combined effects of radiative cooling, ram-pressure stripping, star formation, supernova (SN) winds, and a cosmic UV background. For a given orbit inside the primary galaxy, rotationally supported dwarfs with gas fractions akin to those of observed dIrrs ( f {sub gas} ≳ 0.5), demonstrate a substantially enhanced likelihood and efficiency of transformation into dSphs relative to their collisionless ( f {sub gas} = 0) counterparts. We argue that the combination of ram-pressure stripping and SN winds causes the gas-rich dwarfs to respond more impulsively to tides, augmenting their transformation. When f {sub gas} ≳ 0.5, disky dwarfs on previously unfavorable low-eccentricity or large-pericenter orbits are still able to transform. On the widest orbits, the transformation is incomplete; the dwarfs retain significant rotational support, a relatively flat shape, and some gas, naturally resembling transition-type systems. We conclude that tidal stirring constitutes a prevalent evolutionary mechanism for shaping the structure of dwarf galaxies within the currently favored CDM cosmological paradigm.« less

Ultrafast and versatile spectroscopy by temporal Fourier transform

NASA Astrophysics Data System (ADS)

Zhang, Chi; Wei, Xiaoming; Marhic, Michel E.; Wong, Kenneth K. Y.

2014-06-01

One of the most remarkable and useful properties of a spatially converging lens system is its inherent ability to perform the Fourier transform; the same applies for the time-lens system. At the back focal plane of the time-lens, the spectral information can be instantaneously obtained in the time axis. By implementing temporal Fourier transform for spectroscopy applications, this time-lens-based architecture can provide orders of magnitude improvement over the state-of-art spatial-dispersion-based spectroscopy in terms of the frame rate. On the other hand, in addition to the single-lens structure, the multi-lens structures (e.g. telescope or wide-angle scope) will provide very versatile operating conditions. Leveraging the merit of instantaneous response, as well as the flexible lens structure, here we present a 100-MHz frame rate spectroscopy system - the parametric spectro-temporal analyzer (PASTA), which achieves 17 times zoom in/out ratio for different observation ranges.

The mechanism of transforming diamond nanowires to carbon nanostructures

NASA Astrophysics Data System (ADS)

Sorkin, Anastassia; Su, Haibin

2014-01-01

The transformation of diamond nanowires (DNWs) with different diameters and geometries upon heating is investigated with density-functional-based tight-binding molecular dynamics. DNWs of <100> and <111> oriented cross-section with projected average line density between 7 and 20 atoms Å-1 transform into carbon nanotubes (CNTs) under gradual heating up to 3500-4000 K. DNWs with projected average line density larger than 25 atoms Å-1 transform into double-wall CNTs. The route of transformation into CNTs clearly exhibits three stages, with the intriguing intermediate structural motif of a carbon nanoscroll (CNS). Moreover, the morphology plays an important role in the transformation involving the CNS as one important intermediate motif to form CNTs. When starting with \\langle \\bar {2}1 1\\rangle oriented DNWs with a square cross-section consisting of two {111} facets facing each other, one interesting structure with ‘nano-bookshelf’ shape emerges: a number of graphene ‘shelves’ located inside the CNT, bonding to the CNT walls with sp3 hybridized atoms. The nano-bookshelf structures exist in a wide range of temperatures up to 3000 K. The further transformation from nano-bookshelf structures depends on the strength of the joints connecting shelves with CNT walls. Notably, the nano-bookshelf structure can evolve into two end products: one is CNT via the CNS pathway, the other is graphene transformed directly from the nano-bookshelf structure at high temperature. This work sheds light on the microscopic insight of carbon nanostructure formation mechanisms with the featured motifs highlighted in the pathways.

Quantization of wave equations and hermitian structures in partial differential varieties

PubMed Central

Paneitz, S. M.; Segal, I. E.

1980-01-01

Sufficiently close to 0, the solution variety of a nonlinear relativistic wave equation—e.g., of the form □ϕ + m2ϕ + gϕp = 0—admits a canonical Lorentz-invariant hermitian structure, uniquely determined by the consideration that the action of the differential scattering transformation in each tangent space be unitary. Similar results apply to linear time-dependent equations or to equations in a curved asymptotically flat space-time. A close relation of the Riemannian structure to the determination of vacuum expectation values is developed and illustrated by an explicit determination of a perturbative 2-point function for the case of interaction arising from curvature. The theory underlying these developments is in part a generalization of that of M. G. Krein and collaborators concerning stability of differential equations in Hilbert space and in part a precise relation between the unitarization of given symplectic linear actions and their full probabilistic quantization. The unique causal structure in the infinite symplectic group is instrumental in these developments. PMID:16592923

The Box-Cox power transformation on nursing sensitive indicators: Does it matter if structural effects are omitted during the estimation of the transformation parameter?

PubMed Central

2011-01-01

Background Many nursing and health related research studies have continuous outcome measures that are inherently non-normal in distribution. The Box-Cox transformation provides a powerful tool for developing a parsimonious model for data representation and interpretation when the distribution of the dependent variable, or outcome measure, of interest deviates from the normal distribution. The objectives of this study was to contrast the effect of obtaining the Box-Cox power transformation parameter and subsequent analysis of variance with or without a priori knowledge of predictor variables under the classic linear or linear mixed model settings. Methods Simulation data from a 3 × 4 factorial treatments design, along with the Patient Falls and Patient Injury Falls from the National Database of Nursing Quality Indicators (NDNQI®) for the 3rd quarter of 2007 from a convenience sample of over one thousand US hospitals were analyzed. The effect of the nonlinear monotonic transformation was contrasted in two ways: a) estimating the transformation parameter along with factors with potential structural effects, and b) estimating the transformation parameter first and then conducting analysis of variance for the structural effect. Results Linear model ANOVA with Monte Carlo simulation and mixed models with correlated error terms with NDNQI examples showed no substantial differences on statistical tests for structural effects if the factors with structural effects were omitted during the estimation of the transformation parameter. Conclusions The Box-Cox power transformation can still be an effective tool for validating statistical inferences with large observational, cross-sectional, and hierarchical or repeated measure studies under the linear or the mixed model settings without prior knowledge of all the factors with potential structural effects. PMID:21854614

The Box-Cox power transformation on nursing sensitive indicators: does it matter if structural effects are omitted during the estimation of the transformation parameter?

PubMed

Hou, Qingjiang; Mahnken, Jonathan D; Gajewski, Byron J; Dunton, Nancy

2011-08-19

Many nursing and health related research studies have continuous outcome measures that are inherently non-normal in distribution. The Box-Cox transformation provides a powerful tool for developing a parsimonious model for data representation and interpretation when the distribution of the dependent variable, or outcome measure, of interest deviates from the normal distribution. The objectives of this study was to contrast the effect of obtaining the Box-Cox power transformation parameter and subsequent analysis of variance with or without a priori knowledge of predictor variables under the classic linear or linear mixed model settings. Simulation data from a 3 × 4 factorial treatments design, along with the Patient Falls and Patient Injury Falls from the National Database of Nursing Quality Indicators (NDNQI® for the 3rd quarter of 2007 from a convenience sample of over one thousand US hospitals were analyzed. The effect of the nonlinear monotonic transformation was contrasted in two ways: a) estimating the transformation parameter along with factors with potential structural effects, and b) estimating the transformation parameter first and then conducting analysis of variance for the structural effect. Linear model ANOVA with Monte Carlo simulation and mixed models with correlated error terms with NDNQI examples showed no substantial differences on statistical tests for structural effects if the factors with structural effects were omitted during the estimation of the transformation parameter. The Box-Cox power transformation can still be an effective tool for validating statistical inferences with large observational, cross-sectional, and hierarchical or repeated measure studies under the linear or the mixed model settings without prior knowledge of all the factors with potential structural effects.

Interacting particle systems in time-dependent geometries

NASA Astrophysics Data System (ADS)

Ali, A.; Ball, R. C.; Grosskinsky, S.; Somfai, E.

2013-09-01

Many complex structures and stochastic patterns emerge from simple kinetic rules and local interactions, and are governed by scale invariance properties in combination with effects of the global geometry. We consider systems that can be described effectively by space-time trajectories of interacting particles, such as domain boundaries in two-dimensional growth or river networks. We study trajectories embedded in time-dependent geometries, and the main focus is on uniformly expanding or decreasing domains for which we obtain an exact mapping to simple fixed domain systems while preserving the local scale invariance properties. This approach was recently introduced in Ali et al (2013 Phys. Rev. E 87 020102(R)) and here we provide a detailed discussion on its applicability for self-affine Markovian models, and how it can be adapted to self-affine models with memory or explicit time dependence. The mapping corresponds to a nonlinear time transformation which converges to a finite value for a large class of trajectories, enabling an exact analysis of asymptotic properties in expanding domains. We further provide a detailed discussion of different particle interactions and generalized geometries. All our findings are based on exact computations and are illustrated numerically for various examples, including Lévy processes and fractional Brownian motion.

Mass dependent galaxy transformation mechanisms in the complex environment of SuperGroup Abell 1882

NASA Astrophysics Data System (ADS)

Sengupta, Aparajita

We present our data and results from panchromatic photometry and optical spectrometry of the nearest (extremely rich) filamentary large scale structure, SuperGroup Abell 1882. It is a precursor of a cluster and is an inevitable part of the narrative in the study of galaxy transformations. There has been strong empirical evidence over the past three decades that galaxy environment affects galaxy properties. Blue disky galaxies transform into red bulge-like galaxies as they traverse into the deeper recesses of a cluster. However, we have little insight into the story of galaxy evolution in the early stages of cluster formation. Besides, in relaxed clusters that have been studied extensively, several evolutionary mechanisms take effect on similar spatial and temporal scales, making it almost impossible to disentangle different local and global mechanisms. A SuperGroup on the other hand, has a shallower dark-matter potential. Here, the accreting galaxies are subjected to evolutionary mechanisms over larger time and spatial scales. This separates processes that are otherwise superimposed in rich cluster-filament interfaces. As has been found from cluster studies, galaxy color and morphology tie very strongly with local galaxy density even in a complex and nascent structure like Abell 1882. Our major results indicate that there is a strong dependence of galaxy transformations on the galaxy masses themselves. Mass- dependent evolutionary mechanisms affect galaxies at different spatial scales. The galaxy color also varies with radial projected distance from the assumed center of the structure for a constant local galaxy density, indicating the underlying large scale structure as a second order evolutionary driver. We have looked for clues to the types of mechanisms that might cause the transformations at various mass regimes. We have found the thoroughly quenched low mass galaxies confined to the groups, whereas there are evidences of intermediate-mass quenched galaxies even in the far outskirts. However, unlike what we observe in this system, ideally would we expect the dwarf galaxies with their shallow potentials to be more vulnerable than more massive galaxies, and hence be quenched earlier. We propose harassment and/or ram-pressure stripping as the mechanism that might lead to the quenched galaxies near or inside the high density, high velocity dispersion region in and near the groups; and mergers as the mechanism for the intermediate mass quenched galaxies at the low density, low velocity dispersion outskirts. We also identify a starburst population preferentially occurring within the filaments, at least a subset of which must be progenitors of the quenched galaxies at the core of Abell 1882. This also indicates a higher degree of preprocessing within the filaments as compared to that of the field.

Matching-pursuit/split-operator-Fourier-transform computations of thermal correlation functions.

PubMed

Chen, Xin; Wu, Yinghua; Batista, Victor S

2005-02-08

A rigorous and practical methodology for evaluating thermal-equilibrium density matrices, finite-temperature time-dependent expectation values, and time-correlation functions is described. The method involves an extension of the matching-pursuit/split-operator-Fourier-transform method to the solution of the Bloch equation via imaginary-time propagation of the density matrix and the evaluation of Heisenberg time-evolution operators through real-time propagation in dynamically adaptive coherent-state representations.

Orthogonal fast spherical Bessel transform on uniform grid

NASA Astrophysics Data System (ADS)

Serov, Vladislav V.

2017-07-01

We propose an algorithm for the orthogonal fast discrete spherical Bessel transform on a uniform grid. Our approach is based upon the spherical Bessel transform factorization into the two subsequent orthogonal transforms, namely the fast Fourier transform and the orthogonal transform founded on the derivatives of the discrete Legendre orthogonal polynomials. The method utility is illustrated by its implementation for the problem of a two-atomic molecule in a time-dependent external field simulating the one utilized in the attosecond streaking technique.

Structural transition in lanthanum gallate and transformation of the fine structure of the EPR spectrum of a Gd3+ impurity center

NASA Astrophysics Data System (ADS)

Vazhenin, V. A.; Guseva, V. B.; Fokin, A. V.; Potapov, A. P.; Artyomov, M. Yu.

2011-04-01

Abrupt changes in resonance positions, hysteretic temperature behavior, and coexistence of phases, which indicate a first-order phase transition, have been revealed from measurements of temperature dependences of the EPR spectra of Gd3+ and Mn4+ centers in the vicinity of the structural transition of lanthanum gallate. The transformation of monoclinic Gd3+ centers into trigonal Gd3+ centers upon the phase transition has been used to estimate the adequacy of two approximations of the superposition model for parameters of the zero-field splitting of the ground state.

Indoor transformer stations and ELF magnetic field exposure: use of transformer structural characteristics to improve exposure assessment.

PubMed

Okokon, Enembe Oku; Roivainen, Päivi; Kheifets, Leeka; Mezei, Gabor; Juutilainen, Jukka

2014-01-01

Previous studies have shown that populations of multiapartment buildings with indoor transformer stations may serve as a basis for improved epidemiological studies on the relationship between childhood leukaemia and extremely-low-frequency (ELF) magnetic fields (MFs). This study investigated whether classification based on structural characteristics of the transformer stations would improve ELF MF exposure assessment. The data included MF measurements in apartments directly above transformer stations ("exposed" apartments) in 30 buildings in Finland, and reference apartments in the same buildings. Transformer structural characteristics (type and location of low-voltage conductors) were used to classify exposed apartments into high-exposure (HE) and intermediate-exposure (IE) categories. An exposure gradient was observed: both the time-average MF and time above a threshold (0.4 μT) were highest in the HE apartments and lowest in the reference apartments, showing a statistically significant trend. The differences between HE and IE apartments, however, were not statistically significant. A simulation exercise showed that the three-category classification did not perform better than a two-category classification (exposed and reference apartments) in detecting the existence of an increased risk. However, data on the structural characteristics of transformers is potentially useful for evaluating exposure-response relationship.

Structure of multiphoton quantum optics. I. Canonical formalism and homodyne squeezed states

NASA Astrophysics Data System (ADS)

dell'Anno, Fabio; de Siena, Silvio; Illuminati, Fabrizio

2004-03-01

We introduce a formalism of nonlinear canonical transformations for general systems of multiphoton quantum optics. For single-mode systems the transformations depend on a tunable free parameter, the homodyne local-oscillator angle; for n -mode systems they depend on n heterodyne mixing angles. The canonical formalism realizes nontrivial mixing of pairs of conjugate quadratures of the electromagnetic field in terms of homodyne variables for single-mode systems, and in terms of heterodyne variables for multimode systems. In the first instance the transformations yield nonquadratic model Hamiltonians of degenerate multiphoton processes and define a class of non-Gaussian, nonclassical multiphoton states that exhibit properties of coherence and squeezing. We show that such homodyne multiphoton squeezed states are generated by unitary operators with a nonlinear time evolution that realizes the homodyne mixing of a pair of conjugate quadratures. Tuning of the local-oscillator angle allows us to vary at will the statistical properties of such states. We discuss the relevance of the formalism for the study of degenerate (up-)down-conversion processes. In a companion paper [

Structure of multiphoton quantum optics. I. Canonical formalism and homodyne squeezed states

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

Dell'Anno, Fabio; De Siena, Silvio; Illuminati, Fabrizio

2004-03-01

We introduce a formalism of nonlinear canonical transformations for general systems of multiphoton quantum optics. For single-mode systems the transformations depend on a tunable free parameter, the homodyne local-oscillator angle; for n-mode systems they depend on n heterodyne mixing angles. The canonical formalism realizes nontrivial mixing of pairs of conjugate quadratures of the electromagnetic field in terms of homodyne variables for single-mode systems, and in terms of heterodyne variables for multimode systems. In the first instance the transformations yield nonquadratic model Hamiltonians of degenerate multiphoton processes and define a class of non-Gaussian, nonclassical multiphoton states that exhibit properties of coherencemore » and squeezing. We show that such homodyne multiphoton squeezed states are generated by unitary operators with a nonlinear time evolution that realizes the homodyne mixing of a pair of conjugate quadratures. Tuning of the local-oscillator angle allows us to vary at will the statistical properties of such states. We discuss the relevance of the formalism for the study of degenerate (up-)down-conversion processes. In a companion paper [F. Dell'Anno, S. De Siena, and F. Illuminati, 69, 033813 (2004)], we provide the extension of the nonlinear canonical formalism to multimode systems, we introduce the associated heterodyne multiphoton squeezed states, and we discuss their possible experimental realization.« less

How Followers Differing in Career Motivation Gain Career Profits from Transformational Leaders: A Longitudinal Moderated Mediation Model.

PubMed

Baethge, Anja; Rigotti, Thomas; Vincent-Hoeper, Sylvie

2017-01-01

Although, transformational leadership is among the most thoroughly examined leadership theories, knowledge regarding its association with followers' career outcomes is still limited. Furthermore, the underlying mechanisms explaining how transformational leaders affect their employees' career success are yet not well-understood. Based on theoretical assumptions about the processes involved in setting the goal of "making a career," we propose an indirect effect of transformational leadership on subjective and objective career success via development opportunities that depends on the level of career motivation of employees. We conducted a longitudinal study with two measurement occasions separated by 13 months with 320 employees of a large IT company. Respondents provided ratings online on their direct supervisor's transformational leadership, their own development opportunities, and career motivation at T1; subjective career success was rated at both time points, whereas objective indicators of career transitions were rated at T2 retrospectively. Using structural equation modeling, we tested the proposed moderated mediation model. The results indicated that transformational leadership increased subordinates' subjective career success via development opportunities. In addition, and contrary to theoretical reasoning, the indirect effect was not significant for employees with high career motivation. Thus, employees high in career motivation appeared not to benefit from the development opportunities offered by transformational leaders. The results are discussed in light of tailored leadership that takes the aspirations, and needs of followers into account.

How Followers Differing in Career Motivation Gain Career Profits from Transformational Leaders: A Longitudinal Moderated Mediation Model

PubMed Central

Baethge, Anja; Rigotti, Thomas; Vincent-Hoeper, Sylvie

2017-01-01

Although, transformational leadership is among the most thoroughly examined leadership theories, knowledge regarding its association with followers' career outcomes is still limited. Furthermore, the underlying mechanisms explaining how transformational leaders affect their employees' career success are yet not well-understood. Based on theoretical assumptions about the processes involved in setting the goal of “making a career,” we propose an indirect effect of transformational leadership on subjective and objective career success via development opportunities that depends on the level of career motivation of employees. We conducted a longitudinal study with two measurement occasions separated by 13 months with 320 employees of a large IT company. Respondents provided ratings online on their direct supervisor's transformational leadership, their own development opportunities, and career motivation at T1; subjective career success was rated at both time points, whereas objective indicators of career transitions were rated at T2 retrospectively. Using structural equation modeling, we tested the proposed moderated mediation model. The results indicated that transformational leadership increased subordinates' subjective career success via development opportunities. In addition, and contrary to theoretical reasoning, the indirect effect was not significant for employees with high career motivation. Thus, employees high in career motivation appeared not to benefit from the development opportunities offered by transformational leaders. The results are discussed in light of tailored leadership that takes the aspirations, and needs of followers into account. PMID:28932204

Time-dependent vibrational spectral analysis of first principles trajectory of methylamine with wavelet transform.

PubMed

Biswas, Sohag; Mallik, Bhabani S

2017-04-12

The fluctuation dynamics of amine stretching frequencies, hydrogen bonds, dangling N-D bonds, and the orientation profile of the amine group of methylamine (MA) were investigated under ambient conditions by means of dispersion-corrected density functional theory-based first principles molecular dynamics (FPMD) simulations. Along with the dynamical properties, various equilibrium properties such as radial distribution function, spatial distribution function, combined radial and angular distribution functions and hydrogen bonding were also calculated. The instantaneous stretching frequencies of amine groups were obtained by wavelet transform of the trajectory obtained from FPMD simulations. The frequency-structure correlation reveals that the amine stretching frequency is weakly correlated with the nearest nitrogen-deuterium distance. The frequency-frequency correlation function has a short time scale of around 110 fs and a longer time scale of about 1.15 ps. It was found that the short time scale originates from the underdamped motion of intact hydrogen bonds of MA pairs. However, the long time scale of the vibrational spectral diffusion of N-D modes is determined by the overall dynamics of hydrogen bonds as well as the dangling ND groups and the inertial rotation of the amine group of the molecule.

Idealized models of the joint probability distribution of wind speeds

NASA Astrophysics Data System (ADS)

Monahan, Adam H.

2018-05-01

The joint probability distribution of wind speeds at two separate locations in space or points in time completely characterizes the statistical dependence of these two quantities, providing more information than linear measures such as correlation. In this study, we consider two models of the joint distribution of wind speeds obtained from idealized models of the dependence structure of the horizontal wind velocity components. The bivariate Rice distribution follows from assuming that the wind components have Gaussian and isotropic fluctuations. The bivariate Weibull distribution arises from power law transformations of wind speeds corresponding to vector components with Gaussian, isotropic, mean-zero variability. Maximum likelihood estimates of these distributions are compared using wind speed data from the mid-troposphere, from different altitudes at the Cabauw tower in the Netherlands, and from scatterometer observations over the sea surface. While the bivariate Rice distribution is more flexible and can represent a broader class of dependence structures, the bivariate Weibull distribution is mathematically simpler and may be more convenient in many applications. The complexity of the mathematical expressions obtained for the joint distributions suggests that the development of explicit functional forms for multivariate speed distributions from distributions of the components will not be practical for more complicated dependence structure or more than two speed variables.

Control of size and viscoelastic properties of nanofibrillated cellulose from palm tree by varying the TEMPO-mediated oxidation time.

PubMed

Benhamou, Karima; Dufresne, Alain; Magnin, Albert; Mortha, Gérard; Kaddami, Hamid

2014-01-01

The main objective of the present study was to control and optimize the preparation of nanofibrillated cellulose (NFC) from the date palm tree by monitoring the oxidation time (degree of oxidation) of the pristine cellulose and the number of cycles through the homogenizer. The oxidation was monitored by TEMPO (1-oxo-2,2,6,6-tétraméthylpipyridine 1-oxyle) mediated oxidation. Evidence of the successful isolation of NFC was given by FE-SEM observation revealing fibrils with a width in the range 20-30nm, depending of the oxidation time. The evolution of the transparency of the aqueous NFC suspension and carboxylic content according to the degree of oxidation and number of cycles were also analyzed by UV-vis transmittance, Fourier-transform infrared spectroscopy (FT-IR), conductimetry, and X-ray diffraction analysis. A significant NFC length reduction occurred during the TEMPO-mediated oxidation. The rheological properties of NFC suspensions were characterized as function of the oxidation time. Dynamic rheology showed that the aqueous suspension behavior changed from liquid to gel depending on the concentration. The highest concentration studied was 1wt% and the modulus reached 1MPa which was higher than for non-oxidized NFC. An explanation of the gel structure evolution with the oxidation time applied to the NFC (NFC length) was proposed. The gel structure evolves from an entanglement-governed gel structure to an immobilized water molecule-governed one. Copyright © 2013 Elsevier Ltd. All rights reserved.

Depth-Dependent Anisotropies of Amides and Sugar in Perpendicular and Parallel Sections of Articular Cartilage by Fourier Transform Infrared Imaging (FTIRI)

PubMed Central

Xia, Yang; Mittelstaedt, Daniel; Ramakrishnan, Nagarajan; Szarko, Matthew; Bidthanapally, Aruna

2010-01-01

Full thickness blocks of canine humeral cartilage were microtomed into both perpendicular sections and a series of 100 parallel sections, each 6 μm thick. Fourier Transform Infrared Imaging (FTIRI) was used to image each tissue section eleven times under different infrared polarizations (from 0° to 180° polarization states in 20° increments and with an additional 90° polarization), at a spatial resolution of 6.25 μm and a wavenumber step of 8 cm−1. With increasing depth from the articular surface, amide anisotropies increased in the perpendicular sections and decreased in the parallel sections. Both types of tissue sectioning identified a 90° difference between amide I and amide II in the superficial zone of cartilage. The fibrillar distribution in the parallel sections from the superficial zone was shown to not be random. Sugar had the greatest anisotropy in the upper part of the radial zone in the perpendicular sections. The depth-dependent anisotropic data were fitted with a theoretical equation that contained three signature parameters, which illustrate the arcade structure of collagens with the aid of a fibril model. Infrared imaging of both perpendicular and parallel sections provides the possibility of determining the three-dimensional macromolecular structures in articular cartilage. Being sensitive to the orientation of the macromolecular structure in healthy articular cartilage aids the prospect of detecting the early onset of the tissue degradation that may lead to pathological conditions such as osteoarthritis. PMID:21274999

Role of Sectoral Transformation in Evolution of Water Management in Agricultural Catchments: A Socio-hydrologic Analysis

NASA Astrophysics Data System (ADS)

Roobavannan, Mahendran; Kandasamy, Jaya; Pande, Saket; Vigneswaran, Saravanamuthu; Sivapalan, Murugesu

2017-04-01

Sustainable development in society depends on an understanding of how communities interact with the natural system and how they co-evolve in time. Increasingly the livelihood and future viability of agricultural communities are being threatened by competition for water between food production and the environment. This study focused on this water-agriculture-environment nexus as it played out in the Murrumbidgee River Basin, Australia, and how co-evolution of society and water management occurred. Over 100 years of agricultural development the Murrumbidgee Basin has experienced a "pendulum swing" in terms of water allocation entirely to agriculture production at the expense of the environment, and eventually to the reallocation of water back to the environment. This pendulum swing has been attributed to a combination of increased national wealth, reduced share of agriculture in the national GDP, and to increased environment awareness of environmental degradation. Environment awareness depends on the structure of the economy, education, and socio-politic structure. As the basin economy develops accompanied by sectoral transformation, basin production becomes increasingly dependent on the industry sector. A loss of economic dependence on agriculture leads to a lower emphasis on the need to allocate water to agriculture. Society's value and preference turns around and is motivated towards the protection of the ecosystem. We hypothesize that in the competition of water use between economic livelihood and environment well being of society, economic diversification pushed the balance in towards the environment. In order to test this hypothesis, we developed a coupled socio-hydrologic model, which explicitly considers bi-directional feedbacks between human and water systems to explore how the competition for water played out in the Murrumbidgee. We demonstrate this by linking the dynamics of the economy of the whole (agriculture and industry) to community sentiment for the environment and to water allocation. The model captured the changing value and preference, threshold dynamics, changing water management and showed the importance of sectoral transformation in water management. The modeling showed that as agriculture became constrained by water reallocation to restore ecosystem health, the community coped with the transition through the sectoral transformation to the industry sector and out-migration of basin residents. The dynamics observed in the Murrumbidgee River basin highlights how the transformation of the basin economy influenced sustainable development, mitigated adverse economic outcomes and enabled society to transition with the implementation of water management decisions that increasingly favored the environment.

Observatory geoelectric fields induced in a two-layer lithosphere during magnetic storms

USGS Publications Warehouse

Love, Jeffrey J.; Swidinsky, Andrei

2015-01-01

We report on the development and validation of an algorithm for estimating geoelectric fields induced in the lithosphere beneath an observatory during a magnetic storm. To accommodate induction in three-dimensional lithospheric electrical conductivity, we analyze a simple nine-parameter model: two horizontal layers, each with uniform electrical conductivity properties given by independent distortion tensors. With Laplace transformation of the induction equations into the complex frequency domain, we obtain a transfer function describing induction of observatory geoelectric fields having frequency-dependent polarization. Upon inverse transformation back to the time domain, the convolution of the corresponding impulse-response function with a geomagnetic time series yields an estimated geoelectric time series. We obtain an optimized set of conductivity parameters using 1-s resolution geomagnetic and geoelectric field data collected at the Kakioka, Japan, observatory for five different intense magnetic storms, including the October 2003 Halloween storm; our estimated geoelectric field accounts for 93% of that measured during the Halloween storm. This work demonstrates the need for detailed modeling of the Earth’s lithospheric conductivity structure and the utility of co-located geomagnetic and geoelectric monitoring.

Temperature Dependence of the Magnetization of the Ni52Mn24Ga24 Alloy in Various Structural States

NASA Astrophysics Data System (ADS)

Musabirov, I. I.; Sharipov, I. Z.; Mulyukov, R. R.

2015-10-01

are presented of a study of the temperature dependence of the magnetization σ(Т) of the polycrystalline Ni52Mn24Ga24 alloy in various structural states: in the initial coarse-grained state, after severe plastic deformation by high pressure torsion, and after stepped annealing of the deformed specimen at temperatures from 200 to 700°С for 30 min. As a study of the σ(Т) curve shows, in an alloy possessing a coarse-grained initial structure, a martensitic phase transition and a magnetic phase transition are observed in the room temperature interval. The martensitic transformation takes place in the ferromagnetic state of the alloy. This transformation is accompanied by an abrupt lowering of the magnetization of the material, associated with a lowering of the symmetry of the crystalline lattice and a high value of the magnetocrystalline anisotropy constant of the alloy in the martensitic phase. It is shown that as a result of plastic deformation there takes place a destruction of ferromagnetic order and a suppression of the martensitic transformation. Consecutive annealing after deformation leads to a gradual recovery of ferromagnetic order and growth of the magnetization of the material. Recovery of the martensitic transformation begins to be manifested only after annealing of the alloy at a temperature of 500°C, when the mean grain size in the recrystallized structure reaches a value around 1 μm.

The Relativistic Transformation for an Electromagnetic Plane Wave with General Time Dependence

ERIC Educational Resources Information Center

Smith, Glenn S.

2012-01-01

In special relativity, the transformation between inertial frames for an electromagnetic plane wave is usually derived for the time-harmonic case (the field is a sinusoid of infinite duration), even though all practical waves are of finite duration and may not even contain a dominant sinusoid. This paper presents an alternative derivation in which…

Probabilistic postprocessing models for flow forecasts for a system of catchments and several lead times

NASA Astrophysics Data System (ADS)

Engeland, Kolbjorn; Steinsland, Ingelin

2014-05-01

This study introduces a methodology for the construction of probabilistic inflow forecasts for multiple catchments and lead times, and investigates criterions for evaluation of multi-variate forecasts. A post-processing approach is used, and a Gaussian model is applied for transformed variables. The post processing model has two main components, the mean model and the dependency model. The mean model is used to estimate the marginal distributions for forecasted inflow for each catchment and lead time, whereas the dependency models was used to estimate the full multivariate distribution of forecasts, i.e. co-variances between catchments and lead times. In operational situations, it is a straightforward task to use the models to sample inflow ensembles which inherit the dependencies between catchments and lead times. The methodology was tested and demonstrated in the river systems linked to the Ulla-Førre hydropower complex in southern Norway, where simultaneous probabilistic forecasts for five catchments and ten lead times were constructed. The methodology exhibits sufficient flexibility to utilize deterministic flow forecasts from a numerical hydrological model as well as statistical forecasts such as persistent forecasts and sliding window climatology forecasts. It also deals with variation in the relative weights of these forecasts with both catchment and lead time. When evaluating predictive performance in original space using cross validation, the case study found that it is important to include the persistent forecast for the initial lead times and the hydrological forecast for medium-term lead times. Sliding window climatology forecasts become more important for the latest lead times. Furthermore, operationally important features in this case study such as heteroscedasticity, lead time varying between lead time dependency and lead time varying between catchment dependency are captured. Two criterions were used for evaluating the added value of the dependency model. The first one was the Energy score (ES) that is a multi-dimensional generalization of continuous rank probability score (CRPS). ES was calculated for all lead-times and catchments together, for each catchment across all lead times and for each lead time across all catchments. The second criterion was to use CRPS for forecasted inflows accumulated over several lead times and catchments. The results showed that ES was not very sensitive to correct covariance structure, whereas CRPS for accumulated flows where more suitable for evaluating the dependency model. This indicates that it is more appropriate to evaluate relevant univariate variables that depends on the dependency structure then to evaluate the multivariate forecast directly.

Structural transformations in austenitic stainless steel induced by deuterium implantation: irradiation at 100 K

NASA Astrophysics Data System (ADS)

Morozov, Oleksandr; Zhurba, Volodymyr; Neklyudov, Ivan; Mats, Oleksandr; Rud, Aleksandr; Chernyak, Nikolay; Progolaieva, Viktoria

2015-03-01

Deuterium thermal desorption spectra were investigated on the samples of austenitic stainless steel 18Cr10NiTi preimplanted at 100 K with deuterium ions in the dose range from 3 × 1015 to 5 × 1018 D/cm2. The kinetics of structural transformation development in the implantation steel layer was traced from deuterium thermodesorption spectra as a function of implanted deuterium concentration. At saturation of austenitic stainless steel 18Cr10NiTi with deuterium by means of ion implantation, structural-phase changes take place, depending on the dose of implanted deuterium. The maximum attainable concentration of deuterium in steel is C = 1 (at.D/at.met. = 1/1). The increase in the implanted dose of deuterium is accompanied by the increase in the retained deuterium content, and as soon as the deuterium concentration attains C ≈ 0.5 the process of shear martensitic structural transformation in steel takes place. It includes the formation of bands, body-centered cubic (bcc) crystal structure, and the ferromagnetic phase. Upon reaching the deuterium concentration C > 0.5, the presence of these molecules causes shear martensitic structural transformations in the steel, which include the formation of characteristic bands, bcc crystal structure, and the ferromagnetic phase. At C ≥ 0.5, two hydride phases are formed in the steel, the decay temperatures of which are 240 and 275 K. The hydride phases are formed in the bcc structure resulting from the martensitic structural transformation in steel.

Low-temperature creep of austenitic stainless steels

NASA Astrophysics Data System (ADS)

Reed, R. P.; Walsh, R. P.

2017-09-01

Plastic deformation under constant load (creep) in austenitic stainless steels has been measured at temperatures ranging from 4 K to room temperature. Low-temperature creep data taken from past and unreported austenitic stainless steel studies are analyzed and reviewed. Creep at cryogenic temperatures of common austenitic steels, such as AISI 304, 310 316, and nitrogen-strengthened steels, such as 304HN and 3116LN, are included. Analyses suggests that logarithmic creep (creep strain dependent on the log of test time) best describe austenitic stainless steel behavior in the secondary creep stage and that the slope of creep strain versus log time is dependent on the applied stress/yield strength ratio. The role of cold work, strain-induced martensitic transformations, and stacking fault energy on low-temperature creep behavior is discussed. The engineering significance of creep on cryogenic structures is discussed in terms of the total creep strain under constant load over their operational lifetime at allowable stress levels.

4D visualization of embryonic, structural crystallization by single-pulse microscopy

PubMed Central

Kwon, Oh-Hoon; Barwick, Brett; Park, Hyun Soon; Baskin, J. Spencer; Zewail, Ahmed H.

2008-01-01

In many physical and biological systems the transition from an amorphous to ordered native structure involves complex energy landscapes, and understanding such transformations requires not only their thermodynamics but also the structural dynamics during the process. Here, we extend our 4D visualization method with electron imaging to include the study of irreversible processes with a single pulse in the same ultrafast electron microscope (UEM) as used before in the single-electron mode for the study of reversible processes. With this augmentation, we report on the transformation of amorphous to crystalline structure with silicon as an example. A single heating pulse was used to initiate crystallization from the amorphous phase while a single packet of electrons imaged selectively in space the transformation as the structure continuously changes with time. From the evolution of crystallinity in real time and the changes in morphology, for nanosecond and femtosecond pulse heating, we describe two types of processes, one that occurs at early time and involves a nondiffusive motion and another that takes place on a longer time scale. Similar mechanisms of two distinct time scales may perhaps be important in biomolecular folding. PMID:18562291

Fourier transform and particle swarm optimization based modified LQR algorithm for mitigation of vibrations using magnetorheological dampers

NASA Astrophysics Data System (ADS)

Kumar, Gaurav; Kumar, Ashok

2017-11-01

Structural control has gained significant attention in recent times. The standalone issue of power requirement during an earthquake has already been solved up to a large extent by designing semi-active control systems using conventional linear quadratic control theory, and many other intelligent control algorithms such as fuzzy controllers, artificial neural networks, etc. In conventional linear-quadratic regulator (LQR) theory, it is customary to note that the values of the design parameters are decided at the time of designing the controller and cannot be subsequently altered. During an earthquake event, the response of the structure may increase or decrease, depending the quasi-resonance occurring between the structure and the earthquake. In this case, it is essential to modify the value of the design parameters of the conventional LQR controller to obtain optimum control force to mitigate the vibrations due to the earthquake. A few studies have been done to sort out this issue but in all these studies it was necessary to maintain a database of the earthquake. To solve this problem and to find the optimized design parameters of the LQR controller in real time, a fast Fourier transform and particle swarm optimization based modified linear quadratic regulator method is presented here. This method comprises four different algorithms: particle swarm optimization (PSO), the fast Fourier transform (FFT), clipped control algorithm and the LQR. The FFT helps to obtain the dominant frequency for every time window. PSO finds the optimum gain matrix through the real-time update of the weighting matrix R, thereby, dispensing with the experimentation. The clipped control law is employed to match the magnetorheological (MR) damper force with the desired force given by the controller. The modified Bouc-Wen phenomenological model is taken to recognize the nonlinearities in the MR damper. The assessment of the advised method is done by simulation of a three-story structure having an MR damper at the ground floor level subjected to three different near-fault historical earthquake time histories, and the outcomes are equated with those of simple conventional LQR. The results establish that the advised methodology is more effective than conventional LQR controllers in reducing inter-storey drift, relative displacement, and acceleration response.

Support time-dependent transformations for surveying and GIS : current status and upcoming challenges

NASA Astrophysics Data System (ADS)

Mahmoudabadi, H.; Lercier, D.; Vielliard, S.; Mein, N.; Briggs, G.

2016-12-01

The support of time-dependent transformations for surveying and GIS is becoming a critical issue. We need to convert positions from the realizations of the International Terrestrial Reference Frame to any national reference frame. This problem is easy to solve when all of the required information is available. But it becomes really complicated in a worldwide context. We propose an overview of the current ITRF-aligned reference frames and we describe a global solution to support time-dependent transformations between them and the International Terrestrial Reference Frame. We focus on the uncertainties of station velocities used. In a first approximation, we use a global tectonic plate model to calculate point velocities. We show the impact of the velocity model on the coordinate accuracies. Several countries, particularly in active regions, are developing semi-dynamic reference frames. These frames include local displacement models updated regularly and/or after major events (such as earthquakes). Their integration into surveying or GIS applications is an upcoming challenge. We want to encourage the geodetic community to develop and use standard formats.

Elastic and microplastic properties of titanium in different structural states

NASA Astrophysics Data System (ADS)

Kardashev, B. K.; Betekhtin, V. I.; Kadomtsev, A. G.; Narykova, M. V.; Kolobov, Yu. R.

2017-09-01

The behavior of elastic (Young's modulus) and microplastic properties of titanium depending on the initial structure and subsequent severe plastic deformation that transforms the material (concerning the grain size) into the submicrocrystalline structural state has been studied. It has been shown that, to a great extent, different initial structures of the metal predetermine its elastic properties after deformation.

Correlation between the shear-speed structure and thickness of the mantle transition zone

NASA Astrophysics Data System (ADS)

Lebedev, Sergei; Chevrot, Sébastien; van der Hilst, R. D.

2003-04-01

The 410 and 660 km seismic discontinuities that bound the mantle transition zone (TZ) are attributed to phase transformations in olivine structure. This implies that variations in TZ thickness ( HTZ) should correlate with those in TZ temperature. Pertinent seismic evidence has so far been ambiguous, however. We measure converted-wave ( Pd s) differential times tdiff= tP660 s- tP410 s in SE Asia and Australia and compare them with S-velocity ( βTZ) estimates from regional tomographic models. Both tdiff and βTZ vary on a scale of a few hundred kilometers. Inferred variations in HTZ are up to ±30 km over length scales larger than 500 km, implying ±200 K thermal heterogeneity if the effect of composition can be neglected. tdiff and βTZ correlate strongly; the linear dependence of HTZ on the average temperature within the TZ is consistent with olivine Clapeyron slopes. We also show that this relationship holds on a global-scale as well, provided that the scalelengths and uncertainties of the variations in tdiff and βTZ are taken into account. These results confirm that the transformations in olivine structure give rise to the 410 and 660 km discontinuities globally.

Microwave processed NiMg ferrite: Studies on structural and magnetic properties

NASA Astrophysics Data System (ADS)

Chandra Babu Naidu, K.; Madhuri, W.

2016-12-01

Ferrites are magnetic semiconductors realizing an important role in electrical and electronic circuits where electrical and magnetic property coupling is required. Though ferrite materials are known for a long time, there is a large scope in the improvement of their properties (vice sintering and frequency dependence of electrical and magnetic properties) with the current technological trends. Forth coming technology is aimed at miniaturization and smart gadgets, electrical components like inductors and transformers cannot be included in integrated circuits. These components are incorporated into the circuit as surface mount devices whose fabrication involves low temperature co-firing of ceramics and microwave monolithic integrated circuits technologies. These technologies demand low temperature sinter-ability of ferrites. This article presents low temperature microwave sintered Ni-Mg ferrites of general chemical formula Ni1-xMgxFe2O4 (x=0, 0.2, 0.4, 0.5, 0.6, 0.8, 1) for potential applications as transformer core materials. The series of ferrites are characterized using X-ray diffractometer, scanning electron microscopy, Fourier transform infrared and vibrating sample magnetometer for investigating structural, morphological and magnetic properties respectively. The initial permeability is studied with magnesium content, temperature and frequency in the temperature range of 308 K-873 K and 42 Hz-5 MHz.

Time dependence of 50 Hz magnetic fields in apartment buildings with indoor transformer stations.

PubMed

Yitzhak, Nir-Mordechay; Hareuveny, Ronen; Kandel, Shaiela; Ruppin, Raphael

2012-04-01

Twenty-four hour measurements of 50 Hz magnetic fields (MFs) in apartment buildings containing transformer stations have been performed. The apartments were classified into four types, according to their location relative to the transformer room. Temporal correlation coefficients between the MF in various apartments, as well as between MF and transformer load curves, were calculated. It was found that, in addition to their high average MF, the apartments located right above the transformer room also exhibit unique temporal correlation properties.

Kinetics of lisinopril intramolecular cyclization in solid phase monitored by Fourier transform infrared microscopy.

PubMed

Widjaja, Effendi; Tan, Wei Jian

2008-08-01

The solid-state intramolecular cyclization of lisinopril to diketopiperazine was investigated by in situ Fourier transform infrared (FT-IR) microscopy. Using a controllable heating cell, the isothermal transformation was monitored in situ at 147.5, 150, 152.5, 155, and 157.5 degrees C. The collected time-dependent FT-IR spectra at each isothermal temperature were preprocessed and analyzed using a multivariate chemometric approach. The pure component spectra of the observable component (lisinopril and diketopiperazine) were resolved and their time-dependent relative contributions were also determined. Model-free and various model fitting methods were implemented in the kinetic analysis to estimate the activation energy of the intramolecular cyclization reaction. Arrhenius plots indicate that the activation energy is circa 327 kJ/mol.

Alkyl Chain Length Dependent Structural and Orientational Transformations of Water at Alcohol-Water Interfaces and Its Relevance to Atmospheric Aerosols.

PubMed

Mondal, Jahur A; Namboodiri, V; Mathi, P; Singh, Ajay K

2017-04-06

Although the hydrophobic size of an amphiphile plays a key role in various chemical, biological, and atmospheric processes, its effect at macroscopic aqueous interfaces (e.g., air-water, oil-water, cell membrane-water, etc.), which are ubiquitous in nature, is not well understood. Here we report the hydrophobic alkyl chain length dependent structural and orientational transformations of water at alcohol (C n H 2n+1 OH, n = 1-12)-water interfaces using interface-selective heterodyne-detected vibrational sum frequency generation (HD-VSFG) and Raman multivariate curve resolution (Raman-MCR) spectroscopic techniques. The HD-VSFG results reveal that short-chain alcohols (C n H 2n+1 OH, n < 4, i.e., up to 1-propanol) do not affect the structure (H-bonding) and orientation of water at the air-water interface; the OH stretch band maximum appears at ∼3470 cm -1 , and the water H atoms are pointed toward the bulk water, that is, "H-down" oriented. In contrast, long-chain alcohols (C n H 2n+1 OH, n > 4, i.e., beyond 1-butanol) make the interfacial water more strongly H-bonded and reversely orientated; the OH stretch band maximum appears at ∼3200 cm -1 , and the H atoms are pointed away from the bulk water, that is, "H-up" oriented. Interestingly, for the alcohol of intermediate chain length (C n H 2n+1 OH, n = 4, i.e, 1-butanol), the interface is quite unstable even after hours of its formation and the time-averaged result is qualitatively similar to that of the long-chain alcohols, indicating a structural/orientational crossover of interfacial water at the 1-butanol-water interface. pH-dependent HD-VSFG measurements (with H 2 O as well as isotopically diluted water, HOD) suggest that the structural/orientational transformation of water at the long-chain alcohol-water interface is associated with the adsorption of OH - anion at the interface. Vibrational mapping of the water structure in the hydration shell of OH - anion (obtained by Raman-MCR spectroscopy of NaOH in HOD) clearly shows that the water becomes strongly H-bonded (OH stretch max. ≈ 3200 cm -1 ) while hydrating the OH - anion. Altogether, it is conceivable that alcohols of different hydrophobic chain lengths that are present in the troposphere will differently affect the interfacial electrostatics and associated chemical processes of aerosol droplets, which are critical for cloud formation, global radiation budget, and climate change.

Filter frequency response of time dependent signal using Laplace transform

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

Shestakov, Aleksei I.

We analyze the effect a filter has on a time dependent signal x(t). If X(s) is the Laplace transform of x and H (s) is the filter Transfer function, the response in frequency space is X (s) H (s). Consequently, in real space, the response is the convolution (x*h) (t), where hi is the Laplace inverse of H. Effects are analyzed and analytically for functions such as (t/t c) 2 e -t/tmore » $$_c$$, where t c = const. We consider lowpass, highpass and bandpass filters.« less

The effect of a hot, spherical scattering cloud on quasi-periodic oscillation behavior

NASA Astrophysics Data System (ADS)

Bussard, R. W.; Weisskopf, M. C.; Elsner, R. F.; Shibazaki, N.

1988-04-01

A Monte Carlo technique is used to investigate the effects of a hot electron scattering cloud surrounding a time-dependent X-ray source. Results are presented for the time-averaged emergent energy spectra and the mean residence time in the cloud as a function of energy. Moreover, after Fourier transforming the scattering Green's function, it is shown how the cloud affects both the observed power spectrum of a time-dependent source and the cross spectrum (Fourier transform of a cross correlation between energy bands). It is found that the power spectra intrinsic to the source are related to those observed by a relatively simple frequency-dependent multiplicative factor (a transmission function). The cloud can severely attenuate high frequencies in the power spectra, depending on optical depth, and, at lower frequencies, the transmission function has roughly a Lorentzian shape. It is also found that if the intrinsic energy spectrum is constant in time, the phase of the cross spectrum is determined entirely by scattering. Finally, the implications of the results for studies of the X-ray quasi-periodic oscillators are discussed.

Kinetic effects on the morphology and stability of the pressure-induced extended-solid of carbon monoxide

NASA Astrophysics Data System (ADS)

Dang, Nhan C.; Ciezak-Jenkins, Jennifer A.

2018-04-01

In this work, the dependence of the morphology and stability of the extended solid of carbon monoxide (CO) is correlated to the rate of transformation from the molecular CO to extended solid of CO using optical imaging, photoluminescence, Raman spectroscopy, and X-ray diffraction. The analyses show the rate and pressure of the transformation to be strongly controlled by catalytic effects, both chemical and optical. In a larger volume per reaction area, the transformation was found to require either a longer time at an elevated pressure or a higher pressure compared to a sample synthesized in a smaller volume per reaction area, leading to the conclusion that the transformation rate is slower for a sample in a larger volume per reaction area. A faster rate of transformation was also noted when the reaction area of a CO sample was catalyzed with H2SO4. Through variation of the volume per reaction area, pressure or the addition of catalysts, it was possible to control the rate of the phase transition and therefore the morphology. In general, the extended solid of CO synthesized with a faster rate showed a more ordered structure and increased metastability relative to the material formed with a slower compression rate.

Glennan Microsystems Initiative

NASA Technical Reports Server (NTRS)

Brillson, Leonard J.

2002-01-01

During the 2001-2002 award period, we performed research on Pt/Ti/bare 6H-SiC and bare 4H-SiC interfaces in order to identify their electronic properties as a function of surface preparation. The overall aim of this work is to optimize the electronic properties of metal contacts to SiC as well as the active SiC material itself as a function of surface preparation and subsequent processing. Initially, this work has involved identifying bare surface, subsurface, and metal induced gap states at the metal-SiC contact and correlating energies and densities of deep levels with Schottky barrier heights. We used low energy electron-excited nanoluminescence (LEEN) spectroscopy, X-ray photoemission spectroscopy (XPS), and Secondary Ion Mass Spectrometry (SIMS) in order to correlate electronic states and energy bands with chemical composition, bonding, and crystal structure. A major development has been the discovery of polytype transformations that occur in 4H-SiC under standard microelectronic process conditions used to fabricate SiC devices. Our results are consistent with the stacking fault generation, defect formation, and consequent degradation of SiC recently reported for state-of-the-art ABB commercial diodes under localized electrical stress. Our results highlight the importance of -optimizing process conditions and material properties - anneal times, temperatures and doping to control such structural changes within epitaxial SiC layers. Thus far, we have established threshold times and temperatures beyond which 4H-SiC exhibits 3C-SiC transformation bands for a subset of dopant concentrations and process conditions. On the basis of this temperature time behavior, we have been able to establish an activation energy of approximately 2.5 eV for polytype transformation and dislocation motion. Work continues to establish the fundamental mechanisms underlying the polytype changes and its dependence on material parameters.

Molecular dynamics study of dual-phase microstructure of Titanium and Zirconium metals during the quenching process

NASA Astrophysics Data System (ADS)

Miyazaki, Narumasa; Sato, Kazunori; Shibutani, Yoji

Dual-phase (DP) transformation, which is composed of felite- and/or martensite- multicomponent microstructural phases, is one of the most effective tools to product functional alloys. To obtain this DP structure such as DP steels and other materials, we usually apply thermal processes such as quenching, tempering and annealing. As the transformation dynamics of DP microstructure depends on conditions of temperature, annealing time, and quenching rate, physical properties of materials are able to be tuned by controlling microstructure type, size, their interfaces and so on. In this study, to understand the behavior of DP transformation and to control physical properties of materials by tuning DP microstructures, we analyze the atomistic dynamics of DP transformation during the quenching process and the detail of DP microstructures by using the molecular dynamics simulations. As target metals of DP transformation, we focus on group 4 transition metals, such as Ti and Zr described by EAM interatomic potentials. For Ti and Zr models we perform molecular dynamics simulations by assuming melt-quenching process from 3000 K to 0 K under the isothermal-isobaric ensemble. During the process for each material, we observe liquid to HCP like transition around the melting temperature, and continuously HCP-BCC like transition around martensitic transformation temperature. Furthermore, we clearly distinguish DP microstructure for each quenched model.

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

NASA Astrophysics Data System (ADS)

Williams, Gareth O.; Künzel, S.; Daboussi, S.; Iwan, B.; Gonzalez, A. I.; Boutu, W.; Hilbert, V.; Zastrau, U.; Lee, H. J.; Nagler, B.; Granados, E.; Galtier, E.; Heimann, P.; Barbrel, B.; Dovillaire, G.; Lee, R. W.; Dunn, J.; Recoules, V.; Blancard, C.; Renaudin, P.; de la Varga, A. G.; Velarde, P.; Audebert, P.; Merdji, H.; Zeitoun, Ph.; Fajardo, M.

2018-02-01

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. We compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data, suggestive of a temperature-dependent electronic structure in warm dense matter.

Influence of low-temperature annealing time on the evolution of the structure and mechanical properties of a titanium Ti-Al-V alloy in the submicrocrystalline state

NASA Astrophysics Data System (ADS)

Ratochka, I. V.; Lykova, O. N.; Naidenkin, E. V.

2015-03-01

The effect of annealing at 673 K for 6-24 h on the structural and phase state and mechanical properties of the titanium alloy of a Ti-Al-V system that was previously subjected to severe plastic deformation by uniform compression deformation, has been studied. It has been established that these annealings lead to a nonmontonic dependence of the mechanical properties of the alloy on the annealing time. It has been shown that the annealing of the Ti-Al-V alloy in a submicrocrystalline state is accompanied by simultaneous hardening processes, i.e., the formation of fine particles during phase transformations and the formation of new nanosized grains, and softening processes, i.e., recovery processes and the growth grains to micron sizes. The prevalence of a given process during annealing determines the deterioration or improvement of the alloy's mechanical properties.

Atomistic insights into the nanosecond long amorphization and crystallization cycle of nanoscale G e2S b2T e5 : An ab initio molecular dynamics study

NASA Astrophysics Data System (ADS)

Branicio, Paulo S.; Bai, Kewu; Ramanarayan, H.; Wu, David T.; Sullivan, Michael B.; Srolovitz, David J.

2018-04-01

The complete process of amorphization and crystallization of the phase-change material G e2S b2T e5 is investigated using nanosecond ab initio molecular dynamics simulations. Varying the quench rate during the amorphization phase of the cycle results in the generation of a variety of structures from entirely crystallized (-0.45 K/ps) to entirely amorphized (-16 K/ps). The 1.5-ns annealing simulations indicate that the crystallization process depends strongly on both the annealing temperature and the initial amorphous structure. The presence of crystal precursors (square rings) in the amorphous matrix enhances nucleation/crystallization kinetics. The simulation data are used to construct a combined continuous-cooling-transformation (CCT) and temperature-time-transformation (TTT) diagram. The nose of the CCT-TTT diagram corresponds to the minimum time for the onset of homogenous crystallization and is located at 600 K and 70 ps. That corresponds to a critical cooling rate for amorphization of -4.5 K/ps. The results, in excellent agreement with experimental observations, suggest that a strategy that utilizes multiple quench rates and annealing temperatures may be used to effectively optimize the reversible switching speed and enable fast and energy-efficient phase-change memories.

Comparing Laser Desorption Ionization and Atmospheric Pressure Photoionization Coupled to Fourier Transform Ion Cyclotron Resonance Mass Spectrometry To Characterize Shale Oils at the Molecular Level

USGS Publications Warehouse

Cho, Yunjo; Jin, Jang Mi; Witt, Matthias; Birdwell, Justin E.; Na, Jeong-Geol; Roh, Nam-Sun; Kim, Sunghwan

2013-01-01

Laser desorption ionization (LDI) coupled to Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR MS) was used to analyze shale oils. Previous work showed that LDI is a sensitive ionization technique for assessing aromatic nitrogen compounds, and oils generated from Green River Formation oil shales are well-documented as being rich in nitrogen. The data presented here demonstrate that LDI is effective in ionizing high-double-bond-equivalent (DBE) compounds and, therefore, is a suitable method for characterizing compounds with condensed structures. Additionally, LDI generates radical cations and protonated ions concurrently, the distribution of which depends upon the molecular structures and elemental compositions, and the basicity of compounds is closely related to the generation of protonated ions. This study demonstrates that LDI FT-ICR MS is an effective ionization technique for use in the study of shale oils at the molecular level. To the best of our knowledge, this is the first time that LDI FT-ICR MS has been applied to shale oils.

Three-dimensional Talairach-Tournoux brain atlas

NASA Astrophysics Data System (ADS)

Fang, Anthony; Nowinski, Wieslaw L.; Nguyen, Bonnie T.; Bryan, R. Nick

1995-04-01

The Talairach-Tournoux Stereotaxic Atlas of the human brain is a frequently consulted resource in stereotaxic neurosurgery and computer-based neuroradiology. Its primary application lies in the 2-D analysis and interpretation of neurological images. However, for the purpose of the analysis and visualization of shapes and forms, accurate mensuration of volumes, or 3-D models matching, a 3-D representation of the atlas is essential. This paper proposes and describes, along with its difficulties, a 3-D geometric extension of the atlas. We introduce a `zero-potential' surface smoothing technique, along with a space-dependent convolution kernel and space-dependent normalization. The mesh-based atlas structures are hierarchically organized, and anatomically conform to the original atlas. Structures and their constituents can be independently selected and manipulated in real-time within an integrated system. The extended atlas may be navigated by itself, or interactively registered with patient data with the proportional grid system (piecewise linear) transformation. Visualization of the geometric atlas along with patient data gives a remarkable visual `feel' of the biological structures, not usually perceivable to the untrained eyes in conventional 2-D atlas to image analysis.

Structural transformations in austenitic stainless steel induced by deuterium implantation: irradiation at 100 K.

PubMed

Morozov, Oleksandr; Zhurba, Volodymyr; Neklyudov, Ivan; Mats, Oleksandr; Rud, Aleksandr; Chernyak, Nikolay; Progolaieva, Viktoria

2015-01-01

Deuterium thermal desorption spectra were investigated on the samples of austenitic stainless steel 18Cr10NiTi preimplanted at 100 K with deuterium ions in the dose range from 3 × 10(15) to 5 × 10(18) D/cm(2). The kinetics of structural transformation development in the implantation steel layer was traced from deuterium thermodesorption spectra as a function of implanted deuterium concentration. At saturation of austenitic stainless steel 18Cr10NiTi with deuterium by means of ion implantation, structural-phase changes take place, depending on the dose of implanted deuterium. The maximum attainable concentration of deuterium in steel is C = 1 (at.D/at.met. = 1/1). The increase in the implanted dose of deuterium is accompanied by the increase in the retained deuterium content, and as soon as the deuterium concentration attains C ≈ 0.5 the process of shear martensitic structural transformation in steel takes place. It includes the formation of bands, body-centered cubic (bcc) crystal structure, and the ferromagnetic phase. Upon reaching the deuterium concentration C > 0.5, the presence of these molecules causes shear martensitic structural transformations in the steel, which include the formation of characteristic bands, bcc crystal structure, and the ferromagnetic phase. At C ≥ 0.5, two hydride phases are formed in the steel, the decay temperatures of which are 240 and 275 K. The hydride phases are formed in the bcc structure resulting from the martensitic structural transformation in steel.

A NASTRAN-based computer program for structural dynamic analysis of Horizontal Axis Wind Turbines

NASA Technical Reports Server (NTRS)

Lobitz, Don W.

1995-01-01

This paper describes a computer program developed for structural dynamic analysis of horizontal axis wind turbines (HAWT's). It is based on the finite element method through its reliance on NASTRAN for the development of mass, stiffness, and damping matrices of the tower end rotor, which are treated in NASTRAN as separate structures. The tower is modeled in a stationary frame and the rotor in one rotating at a constant angular velocity. The two structures are subsequently joined together (external to NASTRAN) using a time-dependent transformation consistent with the hub configuration. Aerodynamic loads are computed with an established flow model based on strip theory. Aeroelastic effects are included by incorporating the local velocity and twisting deformation of the blade in the load computation. The turbulent nature of the wind, both in space and time, is modeled by adding in stochastic wind increments. The resulting equations of motion are solved in the time domain using the implicit Newmark-Beta integrator. Preliminary comparisons with data from the Boeing/NASA MOD2 HAWT indicate that the code is capable of accurately and efficiently predicting the response of HAWT's driven by turbulent winds.

Cyclic phase change in a cylindrical thermal energy storage capsule

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

Hasan, M.; Mujumdar, A.S.; Weber, M.E.

1983-12-01

This paper is concerned with a practical melting/freezing problem in conjunction with the more realistic case of a cyclic phase change thermal energy storage device. In this model the phase change medium is encapsulated in long cylindrical tubes, the surface temperature of which is allowed to vary sinusoidally with time about the discrete freezing temperature. Initial temperature of the medium is assumed to be constant at a temperature above or below the freezing/melting temperature. Natural convection in the melt is assumed to be negligible and the variations in the depth of freezing and/or melting in each half cycle is ignored.more » Depending on the half-cycle parameters the problem is simplified to either freezing or melting. The governing one-dimensional heat diffusion equations for both phases are solved by the Finite Integral Transform techniques. The kernels for the transformation are the time-dependent eigen functions separately defined for each phases. This extended transform method can accomodate any time-dependent surface temperature variation. The application of the transform generated a series of coupled, nonlinear first order differential equations, which are solved by Runge Kutta-Verner fifth and sixth order method. Dimensionless solutions of temperature variations in both phases, fusion front position and the fraction solidified (or melted) are displayed graphically to aid in practical calculations. For the special case of a constant surface temperature, comparisons are made between the present results and the existing integral and purely numerical results. The results are found to compare favourably. Results for fractional solidification (or melting and interface position are also compared with the simple Conduction Shape Factor method, after allowing for the time-dependent boundary conditions. Once again the results agree reasonably well.« less

Ultrafast electron crystallography of the cooperative reaction path in vanadium dioxide

PubMed Central

Yang, Ding-Shyue; Baum, Peter; Zewail, Ahmed H.

2016-01-01

Time-resolved electron diffraction with atomic-scale spatial and temporal resolution was used to unravel the transformation pathway in the photoinduced structural phase transition of vanadium dioxide. Results from bulk crystals and single-crystalline thin-films reveal a common, stepwise mechanism: First, there is a femtosecond V−V bond dilation within 300 fs, second, an intracell adjustment in picoseconds and, third, a nanoscale shear motion within tens of picoseconds. Experiments at different ambient temperatures and pump laser fluences reveal a temperature-dependent excitation threshold required to trigger the transitional reaction path of the atomic motions. PMID:27376103

A compact high-voltage pulse generator based on pulse transformer with closed magnetic core.

PubMed

Zhang, Yu; Liu, Jinliang; Cheng, Xinbing; Bai, Guoqiang; Zhang, Hongbo; Feng, Jiahuai; Liang, Bo

2010-03-01

A compact high-voltage nanosecond pulse generator, based on a pulse transformer with a closed magnetic core, is presented in this paper. The pulse generator consists of a miniaturized pulse transformer, a curled parallel strip pulse forming line (PFL), a spark gap, and a matched load. The innovative design is characterized by the compact structure of the transformer and the curled strip PFL. A new structure of transformer windings was designed to keep good insulation and decrease distributed capacitance between turns of windings. A three-copper-strip structure was adopted to avoid asymmetric coupling of the curled strip PFL. When the 31 microF primary capacitor is charged to 2 kV, the pulse transformer can charge the PFL to 165 kV, and the 3.5 ohm matched load can deliver a high-voltage pulse with a duration of 9 ns, amplitude of 84 kV, and rise time of 5.1 ns. When the load is changed to 50 ohms, the output peak voltage of the generator can be 165 kV, the full width at half maximum is 68 ns, and the rise time is 6.5 ns.

Observing in space and time the ephemeral nucleation of liquid-to-crystal phase transitions.

PubMed

Yoo, Byung-Kuk; Kwon, Oh-Hoon; Liu, Haihua; Tang, Jau; Zewail, Ahmed H

2015-10-19

The phase transition of crystalline ordering is a general phenomenon, but its evolution in space and time requires microscopic probes for visualization. Here we report direct imaging of the transformation of amorphous titanium dioxide nanofilm, from the liquid state, passing through the nucleation step and finally to the ordered crystal phase. Single-pulse transient diffraction profiles at different times provide the structural transformation and the specific degree of crystallinity (η) in the evolution process. It is found that the temporal behaviour of η exhibits unique 'two-step' dynamics, with a robust 'plateau' that extends over a microsecond; the rate constants vary by two orders of magnitude. Such behaviour reflects the presence of intermediate structure(s) that are the precursor of the ordered crystal state. Theoretically, we extend the well-known Johnson-Mehl-Avrami-Kolmogorov equation, which describes the isothermal process with a stretched-exponential function, but here over the range of times covering the melt-to-crystal transformation.

Novel approach for image skeleton and distance transformation parallel algorithms

NASA Astrophysics Data System (ADS)

Qing, Kent P.; Means, Robert W.

1994-05-01

Image Understanding is more important in medical imaging than ever, particularly where real-time automatic inspection, screening and classification systems are installed. Skeleton and distance transformations are among the common operations that extract useful information from binary images and aid in Image Understanding. The distance transformation describes the objects in an image by labeling every pixel in each object with the distance to its nearest boundary. The skeleton algorithm starts from the distance transformation and finds the set of pixels that have a locally maximum label. The distance algorithm has to scan the entire image several times depending on the object width. For each pixel, the algorithm must access the neighboring pixels and find the maximum distance from the nearest boundary. It is a computational and memory access intensive procedure. In this paper, we propose a novel parallel approach to the distance transform and skeleton algorithms using the latest VLSI high- speed convolutional chips such as HNC's ViP. The algorithm speed is dependent on the object's width and takes (k + [(k-1)/3]) * 7 milliseconds for a 512 X 512 image with k being the maximum distance of the largest object. All objects in the image will be skeletonized at the same time in parallel.

Transformation of nonlinear discrete-time system into the extended observer form

NASA Astrophysics Data System (ADS)

Kaparin, V.; Kotta, Ü.

2018-04-01

The paper addresses the problem of transforming discrete-time single-input single-output nonlinear state equations into the extended observer form, which, besides the input and output, also depends on a finite number of their past values. Necessary and sufficient conditions for the existence of both the extended coordinate and output transformations, solving the problem, are formulated in terms of differential one-forms, associated with the input-output equation, corresponding to the state equations. An algorithm for transformation of state equations into the extended observer form is proposed and illustrated by an example. Moreover, the considered approach is compared with the method of dynamic observer error linearisation, which likewise is intended to enlarge the class of systems transformable into an observer form.

Tomography and the Herglotz-Wiechert inverse formulation

NASA Astrophysics Data System (ADS)

Nowack, Robert L.

1990-04-01

In this paper, linearized tomography and the Herglotz-Wiechert inverse formulation are compared. Tomographic inversions for 2-D or 3-D velocity structure use line integrals along rays and can be written in terms of Radon transforms. For radially concentric structures, Radon transforms are shown to reduce to Abel transforms. Therefore, for straight ray paths, the Abel transform of travel-time is a tomographic algorithm specialized to a one-dimensional radially concentric medium. The Herglotz-Wiechert formulation uses seismic travel-time data to invert for one-dimensional earth structure and is derived using exact ray trajectories by applying an Abel transform. This is of historical interest since it would imply that a specialized tomographic-like algorithm has been used in seismology since the early part of the century (see Herglotz, 1907; Wiechert, 1910). Numerical examples are performed comparing the Herglotz-Wiechert algorithm and linearized tomography along straight rays. Since the Herglotz-Wiechert algorithm is applicable under specific conditions, (the absence of low velocity zones) to non-straight ray paths, the association with tomography may prove to be useful in assessing the uniqueness of tomographic results generalized to curved ray geometries.

An algorithm to compute the sequency ordered Walsh transform

NASA Technical Reports Server (NTRS)

Larsen, H.

1976-01-01

A fast sequency-ordered Walsh transform algorithm is presented; this sequency-ordered fast transform is complementary to the sequency-ordered fast Walsh transform introduced by Manz (1972) and eliminating gray code reordering through a modification of the basic fast Hadamard transform structure. The new algorithm retains the advantages of its complement (it is in place and is its own inverse), while differing in having a decimation-in time structure, accepting data in normal order, and returning the coefficients in bit-reversed sequency order. Applications include estimation of Walsh power spectra for a random process, sequency filtering and computing logical autocorrelations, and selective bit reversing.

Effect of atomic order on the martensitic and magnetic transformations in Ni-Mn-Ga ferromagnetic shape memory alloys.

PubMed

Sánchez-Alarcos, V; Pérez-Landazábal, J I; Recarte, V; Rodríguez-Velamazán, J A; Chernenko, V A

2010-04-28

The influence of long-range L2(1) atomic order on the martensitic and magnetic transformations of Ni-Mn-Ga shape memory alloys has been investigated. In order to correlate the structural and magnetic transformation temperatures with the atomic order, calorimetric, magnetic and neutron diffraction measurements have been performed on polycrystalline and single-crystalline alloys subjected to different thermal treatments. It is found that both transformation temperatures increase with increasing atomic order, showing exactly the same linear dependence on the degree of L2(1) atomic order. A quantitative correlation between atomic order and transformation temperatures has been established, from which the effect of atomic order on the relative stability between the structural phases has been quantified. On the other hand, the kinetics of the post-quench ordering process taking place in these alloys has been studied. It is shown that the activation energy of the ordering process agrees quite well with the activation energy of the Mn self-diffusion process.

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

Domenichini, P.; Condó, A.M.; Centro Atómico Bariloche, Comisión Nacional de Energía Atómica, Av. Bustillo 9500, 8400 San Carlos de Bariloche

We report the influence of the microstructure on the martensitic transformation in polycrystalline Cu−Zn−Al thin films with 18R structure. The films are grown in two steps. First, Cu−Al thin films are obtained by DC sputtering. Second, the Zn is introduced in the Cu−Al thin films by the annealing them together with a bulk Cu−Zn−Al reference. The crystalline structure of the films was analyzed by X-ray diffraction and transmission electron microscopy. The martensitic transformation temperature was measured by electrical transport using conventional four probe geometry. It was observed that temperatures above 973 K are necessary for zincification of the samples tomore » occur. The resulting martensitic transformation and its hysteresis (barrier for the transformation) depend on the grain size, topology and films thickness. - Highlights: • Polycrystalline Cu−Al−Zn thin films with nanometric grain size are sintered. • Influence of thermal annealing process on the microstructure is analyzed. • Martensitic transformation of Cu−Al−Zn thin films is strongly affected by the microstructure.« less

Phase transformations in an ascending adiabatic mixed-phase cloud volume

NASA Astrophysics Data System (ADS)

Pinsky, M.; Khain, A.; Korolev, A.

2015-04-01

Regimes of liquid-ice coexistence that may form in an adiabatic parcel ascending at constant velocity at freezing temperatures are investigated. Four zones with different microphysical structures succeeding one another along the vertical direction have been established. On the basis of a novel balance equation, analytical expressions are derived to determine the conditions specific for each of these zones. In particular, the necessary and sufficient conditions for formation of liquid water phase within an ascending parcel containing only ice particles are determined. The results are compared to findings reported in earlier studies. The role of the Wegener-Bergeron-Findeisen mechanism in the phase transformation is analyzed. The dependence of the phase relaxation time on height in the four zones is investigated on the basis of a novel analytical expression. The results obtained in the study can be instrumental for analysis and interpretation of observed mixed-phase clouds.

Iterative Neighbour-Information Gathering for Ranking Nodes in Complex Networks

NASA Astrophysics Data System (ADS)

Xu, Shuang; Wang, Pei; Lü, Jinhu

2017-01-01

Designing node influence ranking algorithms can provide insights into network dynamics, functions and structures. Increasingly evidences reveal that node’s spreading ability largely depends on its neighbours. We introduce an iterative neighbourinformation gathering (Ing) process with three parameters, including a transformation matrix, a priori information and an iteration time. The Ing process iteratively combines priori information from neighbours via the transformation matrix, and iteratively assigns an Ing score to each node to evaluate its influence. The algorithm appropriates for any types of networks, and includes some traditional centralities as special cases, such as degree, semi-local, LeaderRank. The Ing process converges in strongly connected networks with speed relying on the first two largest eigenvalues of the transformation matrix. Interestingly, the eigenvector centrality corresponds to a limit case of the algorithm. By comparing with eight renowned centralities, simulations of susceptible-infected-removed (SIR) model on real-world networks reveal that the Ing can offer more exact rankings, even without a priori information. We also observe that an optimal iteration time is always in existence to realize best characterizing of node influence. The proposed algorithms bridge the gaps among some existing measures, and may have potential applications in infectious disease control, designing of optimal information spreading strategies.

Surface structure-dependent pyrite oxidation in relatively dry and moist air: Implications for the reaction mechanism and sulfur evolution

NASA Astrophysics Data System (ADS)

Zhu, Jianxi; Xian, Haiyang; Lin, Xiaoju; Tang, Hongmei; Du, Runxiang; Yang, Yiping; Zhu, Runliang; Liang, Xiaoliang; Wei, Jingming; Teng, H. Henry; He, Hongping

2018-05-01

Pyrite oxidation not only is environmentally significant in the formation of acid mine (or acid rock) drainage and oxidative acidification of lacustrine sediment but also is a critical stage in geochemical sulfur evolution. The oxidation process is always controlled by the reactivity of pyrite, which in turn is controlled by its surface structure. In this study, the oxidation behavior of naturally existing {1 0 0}, {1 1 1}, and {2 1 0} facets of pyrite was investigated using a comprehensive approach combining X-ray photoelectron spectroscopy, diffuse reflectance Fourier transform infrared spectroscopy, and time-of-flight secondary-ion mass spectrometry with periodic density functional theoretical (DFT) calculations. The experimental results show that (i) the initial oxidation rates of both pyrite {1 1 1} and {2 1 0} are much greater than that of pyrite {1 0 0}; (ii) the initial oxidation rate of pyrite {2 1 0} is greater than that of pyrite {1 1 1} in low relative humidity, which is reversed in high relative humidity; and (iii) inner sphere oxygen-bearing sulfur species are originally generated from surface reactions and then converted to outer sphere species. The facet dependent rate law can be expressed as: r{hkl} =k{hkl}haP0.5(t + 1) - 0.5 , where r{hkl} is the orientation dependent reaction rate, k{hkl} is the orientation dependent rate constant, h is the relative humidity, P is the oxygen partial pressure, and t is the oxidation time in seconds. {1 1 1} is the most sensitive facet for pyrite oxidation. Combined with DFT theoretical investigations, water catalyzed electron transfer is speculated as the rate-limiting step. These findings disclose the structure-reactivity dependence of pyrite, which not only presents new insight into the mechanism of pyrite oxidation but also provides fundamental data to evaluate sulfur speciation evolution, suggesting that the surface structure sensitivity should be considered to estimate the reactivity at the mineral-water interface.

Thermoelastic martensitic transformations in ternary Ni50Mn50- z Ga z alloys

NASA Astrophysics Data System (ADS)

Belosludtseva, E. S.; Kuranova, N. N.; Marchenkova, E. B.; Popov, A. G.; Pushin, V. G.

2016-01-01

We have studied the effect of gallium alloying on the structure, phase composition, and physical properties of ternary alloys of the Ni50Mn50- z Ga z (0 ≤ z ≤ 25 at %) quasi-binary section in a broad temperature range. Dependences of the type of crystalline structure of the high-temperature austenite phase and martensite, as well as the critical temperatures of martensitic transformations on the alloy composition, are determined. A phase diagram of the structural and magnetic transformations is constructed. Concentration boundaries of the existence of tetragonal L10 (2 M) martensite and martensitic phases (10 M and 14 M) with complex multilayer crystalline lattices are found. It is established that the predominant martensite morphology is determined by the hierarchy of packets of thin coherent nano- and submicrocrystalline plates with habit planes close to {011} B2, pairwise twinned along one of 24 equivalent {011}<011> B2 twinning shear systems.

Time history solution program, L225 (TEV126). Volume 1: Engineering and usage

NASA Technical Reports Server (NTRS)

Kroll, R. I.; Tornallyay, A.; Clemmons, R. E.

1979-01-01

Volume 1 of a two volume document is presented. The usage of the convolution program L225 (TEV 126) is described. The program calculates the time response of a linear system by convoluting the impulsive response function with the time-dependent excitation function. The convolution is performed as a multiplication in the frequency domain. Fast Fourier transform techniques are used to transform the product back into the time domain to obtain response time histories. A brief description of the analysis used is presented.

Vibrational spectroscopic study of pH dependent solvation at a Ge(100)-water interface during an electrode potential triggered surface termination transition

NASA Astrophysics Data System (ADS)

Niu, Fang; Rabe, Martin; Nayak, Simantini; Erbe, Andreas

2018-06-01

The charge-dependent structure of interfacial water at the n-Ge(100)-aqueous perchlorate interface was studied by controlling the electrode potential. Specifically, a joint attenuated total reflection infrared spectroscopy and electrochemical experiment was used in 0.1M NaClO4 at pH ≈ 1-10. The germanium surface transformation to an H-terminated surface followed the thermodynamic Nernstian pH dependence and was observed throughout the entire pH range. A singular value decomposition-based spectra deconvolution technique coupled to a sigmoidal transition model for the potential dependence of the main components in the spectra shows the surface transformation to be a two-stage process. The first stage was observed together with the first appearance of Ge-H stretching modes in the spectra and is attributed to the formation of a mixed surface termination. This transition was reversible. The second stage occurs at potentials ≈0.1-0.3 V negative of the first one, shows a hysteresis in potential, and is attributed to the formation of a surface with maximum Ge-H coverage. During the surface transformation, the surface becomes hydrophobic, and an effective desolvation layer, a "hydrophobic gap," developed with a thickness ≈1-3 Å. The largest thickness was observed near neutral pH. Interfacial water IR spectra show a loss of strongly hydrogen-bound water molecules compared to bulk water after the surface transformation, and the appearance of "free," non-hydrogen bound OH groups, throughout the entire pH range. Near neutral pH at negative electrode potentials, large changes at wavenumbers below 1000 cm-1 were observed. Librational modes of water contribute to the observed changes, indicating large changes in the water structure.

Transformations structurales d'un acier AU Cr(9%) Mo(2%) (type ZlOCDNbV 09-02) utilisable dans les generateurs de vapeur des reacteurs a neutrons rapides

NASA Astrophysics Data System (ADS)

Vilar, Rui M.; Cizeron, Georges; Pelletier, Michel

1981-12-01

Transformations undergone by a 9 Cr-2 Mo-Nb-V steel on heating depend on the structure previously developped by quenching or tempering and on the heating rate. TTT and CCT diagrams, plotted after austenizing at 1000 and 1100°C, show only one diffusional transformation at high temperature producing equiaxed ferrite which contains a precipitate of M 23C 6 carbide; the activation energy of the process involved is 123.3 kJ/mol. At low temperatures a martensitic transformation is observed; the martensite is lath-type and autotempered.

Time evolution of the Lamb shift.

PubMed

Wang, Da-Wei; Li, Zheng-Hong; Wang, Li-Gang; Zhu, Shi-Yao; Zubairy, M Suhail

2010-09-01

The time evolution of the Lamb shift that accompanies the real photon emission is studied for the first time (to our knowledge). The investigation of the explicit time dependence of the Lamb shift becomes possible because the self-energy of the free electron, which is divergent, is subtracted from the Hamiltonian after a unitary transformation. The Lamb shift can then be separated into two parts: one is the time-independent shift due to the virtual photon exchange, and the other is the time-dependent shift due to the real photon emission. The time evolution depends on the nature of the coupling spectrum of the reservoir.

Ozonation of wastewater: removal and transformation products of drugs of abuse.

PubMed

Rodayan, Angela; Segura, Pedro Alejandro; Yargeau, Viviane

2014-07-15

In this study amphetamine, methamphetamine, methylenedioxymethamphetamine (MDMA), cocaine (COC), benzoylecgonine (BE), ketamine (KET) and oxycodone (OXY) in wastewater at concentrations of 100 μgL(-1) were subjected to ozone to determine their removals as a function of ozone dose and to identify significant oxidation transformation products (OTPs) produced as a result of ozonation. A method based on high resolution mass spectrometry and differential analysis was used to facilitate and accelerate the identification and structural elucidation of the transformation products. The drug removal ranged from 3 to 50% depending on the complexity of the matrix and whether a mixture or individual drugs were ozonated. Both transient and persistent oxidation transformation products were identified for MDMA, COC and OXY and their chemical formulae were determined. Three possible structures of the persistent transformation product of MDMA (OTP-213) with chemical formula C10H16O4N, were determined based on MS(n) mass spectra and the most plausible structure (OTP-213a) was determined based on the chemistry of ozone. These results indicate that ozone is capable of removing drugs of abuse from wastewater to varying extents and that persistent transformation products are produced as a result of treatment. Copyright © 2013 Elsevier B.V. All rights reserved.

Saturable inductor and transformer structures for magnetic pulse compression

DOEpatents

Birx, Daniel L.; Reginato, Louis L.

1990-01-01

Saturable inductor and transformer for magnetic compression of an electronic pulse, using a continuous electrical conductor looped several times around a tightly packed core of saturable inductor material.

A Statistical Model for Estimation of Fish Density Including Correlation in Size, Space, Time and between Species from Research Survey Data

PubMed Central

Bastardie, Francois

2014-01-01

Trawl survey data with high spatial and seasonal coverage were analysed using a variant of the Log Gaussian Cox Process (LGCP) statistical model to estimate unbiased relative fish densities. The model estimates correlations between observations according to time, space, and fish size and includes zero observations and over-dispersion. The model utilises the fact the correlation between numbers of fish caught increases when the distance in space and time between the fish decreases, and the correlation between size groups in a haul increases when the difference in size decreases. Here the model is extended in two ways. Instead of assuming a natural scale size correlation, the model is further developed to allow for a transformed length scale. Furthermore, in the present application, the spatial- and size-dependent correlation between species was included. For cod (Gadus morhua) and whiting (Merlangius merlangus), a common structured size correlation was fitted, and a separable structure between the time and space-size correlation was found for each species, whereas more complex structures were required to describe the correlation between species (and space-size). The within-species time correlation is strong, whereas the correlations between the species are weaker over time but strong within the year. PMID:24911631

A viscoelastic model for dielectric elastomers based on a continuum mechanical formulation and its finite element implementation

NASA Astrophysics Data System (ADS)

Bueschel, A.; Klinkel, S.; Wagner, W.

2011-04-01

Smart materials are active and multifunctional materials, which play an important part for sensor and actuator applications. These materials have the potential to transform passive structures into adaptive systems. However, a prerequisite for the design and the optimization of these materials is, that reliable models exist, which incorporate the interaction between the different combinations of thermal, electrical, magnetic, optical and mechanical effects. Polymeric electroelastic materials, so-called electroactive polymer (EAP), own the characteristic to deform if an electric field is applied. EAP's possesses the benefit that they share the characteristic of polymers, these are lightweight, inexpensive, fracture tolerant, elastic, and the chemical and physical structure is well understood. However, the description "electroactive polymer" is a generic term for many kinds of different microscopic mechanisms and polymeric materials. Based on the laws of electromagnetism and elasticity, a visco-electroelastic model is developed and implemented into the finite element method (FEM). The presented three-dimensional solid element has eight nodes and trilinear interpolation functions for the displacement and the electric potential. The continuum mechanics model contains finite deformations, the time dependency and the nearly incompressible behavior of the material. To describe the possible, large time dependent deformations, a finite viscoelastic model with a split of the deformation gradient is used. Thereby the time dependent characteristic of polymeric materials is incorporated through the free energy function. The electromechanical interactions are considered by the electrostatic forces and inside the energy function.

Mechanisms of the Wurtzite to Rocksalt Transformation in CdSe Nanocrystals

NASA Astrophysics Data System (ADS)

Grünwald, Michael; Rabani, Eran; Dellago, Christoph

2006-06-01

We study the pressure-driven phase transition from the four-coordinate wurtzite to the six-coordinate rocksalt structure in CdSe nanocrystals with molecular dynamics computer simulations. With an ideal gas as the pressure medium, we apply hydrostatic pressure to spherical and faceted nanocrystals ranging in diameter from 25 to 62 Å. In spherical crystals, the main mechanism of the transformation involves the sliding of (100) planes, but depending on the specific surface structure we also observe a second mechanism proceeding through the flattening of (100) planes. In faceted crystals, the transition proceeds via a five-coordinated hexagonal structure, which is stabilized at intermediate pressures due to dominant surface energetics.

Spanning the scales of mechanical metamaterials using time domain simulations in transformed crystals, graphene flakes and structured soils

NASA Astrophysics Data System (ADS)

Aznavourian, Ronald; Puvirajesinghe, Tania M.; Brûlé, Stéphane; Enoch, Stefan; Guenneau, Sébastien

2017-11-01

We begin with a brief historical survey of discoveries of quasi-crystals and graphene, and then introduce the concept of transformation crystallography, which consists of the application of geometric transforms to periodic structures. We consider motifs with three-fold, four-fold and six-fold symmetries according to the crystallographic restriction theorem. Furthermore, we define motifs with five-fold symmetry such as quasi-crystals generated by a cut-and-projection method from periodic structures in higher-dimensional space. We analyze elastic wave propagation in the transformed crystals and (Penrose-type) quasi-crystals with the finite difference time domain freeware SimSonic. We consider geometric transforms underpinning the design of seismic cloaks with square, circular, elliptical and peanut shapes in the context of honeycomb crystals that can be viewed as scaled-up versions of graphene. Interestingly, the use of morphing techniques leads to the design of cloaks with interpolated geometries reminiscent of Victor Vasarely’s artwork. Employing the case of transformed graphene-like (honeycomb) structures allows one to draw useful analogies between large-scale seismic metamaterials such as soils structured with columns of concrete or grout with soil and nanoscale biochemical metamaterials. We further identify similarities in designs of cloaks for elastodynamic and hydrodynamic waves and cloaks for diffusion (heat or mass) processes, as these are underpinned by geometric transforms. Experimental data extracted from field test analysis of soil structured with boreholes demonstrates the application of crystallography to large scale phononic crystals, coined as seismic metamaterials, as they might exhibit low frequency stop bands. This brings us to the outlook of mechanical metamaterials, with control of phonon emission in graphene through extreme anisotropy, attenuation of vibrations of suspension bridges via low frequency stop bands and the concept of transformed meta-cities. We conclude that these novel materials hold strong applications spanning different disciplines or across different scales from biophysics to geophysics.

Phase transition in a multiferroic Ni-Mn-Ga single crystal

NASA Astrophysics Data System (ADS)

Veřtát, P.; Drahokoupil, J.; Perevertov, O.; Heczko, O.

2016-08-01

We studied martensitic phase transformation, crystal structure and twinned microstructure of resulting martensite of a Ni-Mn-Ga single crystal as essential conditions for magnetic shape memory effect. Thermal dependence of electric resistivity, magnetic susceptibility and dilatation measurements were measured to characterise kinetics of the transformation. With the help of XRD analysis and optical microscopy we evaluated the hierarchical twinning microstructure in the 10M martensite.

Relative solvation free energies calculated using an ab initio QM/MM-based free energy perturbation method: dependence of results on simulation length.

PubMed

Reddy, M Rami; Erion, Mark D

2009-12-01

Molecular dynamics (MD) simulations in conjunction with thermodynamic perturbation approach was used to calculate relative solvation free energies of five pairs of small molecules, namely; (1) methanol to ethane, (2) acetone to acetamide, (3) phenol to benzene, (4) 1,1,1 trichloroethane to ethane, and (5) phenylalanine to isoleucine. Two studies were performed to evaluate the dependence of the convergence of these calculations on MD simulation length and starting configuration. In the first study, each transformation started from the same well-equilibrated configuration and the simulation length was varied from 230 to 2,540 ps. The results indicated that for transformations involving small structural changes, a simulation length of 860 ps is sufficient to obtain satisfactory convergence. In contrast, transformations involving relatively large structural changes, such as phenylalanine to isoleucine, require a significantly longer simulation length (>2,540 ps) to obtain satisfactory convergence. In the second study, the transformation was completed starting from three different configurations and using in each case 860 ps of MD simulation. The results from this study suggest that performing one long simulation may be better than averaging results from three different simulations using a shorter simulation length and three different starting configurations.

Comparative study of phase transition and textural changes upon calcination of two commercial titania samples: A pure anatase and a mixed anatase-rutile

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

Kordouli, Eleana; Dracopoulos, Vassileios; Vaimakis, Tiverios

2015-12-15

The effect of calcination temperature and time on structural and textural changes of two commercial TiO{sub 2} samples (pure anatase and a mixture of anatase and rutile) has been investigated using N{sub 2} physisorption, ex-situ and in-situ X-ray powder diffraction, differential scanning calorimetry and UV–vis diffuse reflectance spectroscopy. The increase of the calcination temperature (up to 700 °C) and time (up to 8 h) causes only textural changes in the pure anatase, whereas a transformation of the anatase to rutile takes place, in addition, in the mixed titania (containing anatase and rutile). The textural changes observed in pure anatase samplemore » were attributed to solid state diffusion leading to an increase in the size of anatase nanocrystals, through sintering. Thus, the mean pore diameter shifts to higher values and the pore volume and specific surface area decrease. The successful application of the Johnson–Mehl–Avrami–Kolmogorov model in the kinetic data concerning the pure anatase indicates a mass transfer control of sintering process. Similar textural changes were also observed upon calcination of the sample containing anatase and rutile. In this case not only sintering but the anatase to rutile transformation contributes also to the textural changes. Kinetic analysis showed that the rutile nanocrystals in the mixed titania served as seed for by-passing the high energy barrier nucleation step allowing/facilitating thus the anatase to rutile transformation. A fine control of the anatase to rutile ratio and thus of energy-gap and the population of hetero-junctions may be obtained by adjusting the calcination temperature and time. - Graphical Abstract: Dependence of anatase content of P25 on the calcination temperature (600 °C (■), 650 °C (●), 700 °C (▲)) and time. - Highlights: • Increase of calcination temperature up to 800 °C and time up to 8 h causes only textural changes in pure anatase • Progressive transformation of anatase to rutile with time takes place in the mixed titania above 600 °C • A high activation energy barrier inhibits the solid state transformation in pure anatase • Rutile nanocrystals in mixed titania serve as seeding for favouring transformation • Calcination temperature and time allow a fine control of E{sub g} and heterojunctions population in mixed titania.« less

The biodegradation of layered silicates under the influence of cyanobacterial-actinomycetes associations

NASA Astrophysics Data System (ADS)

Ivanova, Ekaterina

2013-04-01

The weathering of sheet silicates is well known to be related to local and global geochemical cycles. Content and composition of clay minerals in soil determine the sorption properties of the soil horizons, water-holding capacity of the soil, stickiness, plasticity, etc. Microorganisms have a diverse range of mechanisms of minerals' structure transformation (acid- and alkali formation, biosorption, complexing, etc). One of the methods is an ability of exopolysaccharide-formation, in particular the formation of mucus, common to many bacteria, including cyanobacteria. Mucous covers cyanobacteria are the specific econiches for other bacteria, including actinomycetes. The objective was to analyze the structural changes of clay minerals under the influence of the cyanobacterial-actinomycetes associative growth. The objects of the study were: 1) the experimental symbiotic association, consisting of free-living heterocyst-formative cyanobacterium Anabaena variabilis Kutz. ATCC 294132 and actinomycete Streptomyces cyaneofuscatus FR837630, 2) rock samples obtained from the Museum of the Soil Science Department of the Lomonosov Moscow State University: kaolinite, consisting of kaolin (96%) Al4 (OH) 8 [Si4O10]; mixed with hydromica, chlorite and quartz; vermiculite, consisting of vermiculite (Ca, Mg, ...)*(Mg, Fe)3(OH)2[(Si, Al)4O10]*4H2O and trioctahedral mica (biotite). The mineralogical compositions of the rocks were determined by the universal X-ray Diffractometer Carl Zeiss Yena. The operationg regime was kept constant (30 kv, 40 mA). The cultivation of the association of actinomycete S. cyanoefuscatus and cyanobacterium A. variabilis caused a reduction in the intensity of kaolinite and hydromica reflexes. However, since both (mica and kaolinite) components have a rigid structure, the significant structural transformation of the minerals was not revealed. Another pattern was observed in the experiment, where the rock sample of vermiculite was used as the mineral substrate. The associative growth of S. cyaneofuscatus and A. variabilis led to the transformation of minerals indicated by the significant decreasing of the intensity of the reflections of vermiculite as well as biotite. Reduction in the intensity of the basal reflections of vermiculite (d001, d004 and d005) three times indicates the process of biodestruction of this component of the rock. The formation of the swelling phase - the product of biotite transformation into the mica-vermicullite mixed-layer formation was revealed. The study demonstrates the differences in the transformation of clay minerals under the influence of cyanobacterial-actinomycetes association, depending on minerals' crystal chemistry and it's resistance to weathering. The rate of the process transformation of micas into the mixed-layer formation depends on their structure - trioctahedral mica (biotite, part of vermiculite sample) are transformated much faster than dioctahedral. The growth of associative thallus and monocultures of cyanobacterium and actinomycete promoted the removal of potassium (?), magnesium (Mg) and aluminum (Al) from the crystal lattice of the rock sample of vermiculite. Leaching of elements due to the influence of associative thallus exceeded the release of cations observed in the sample under the influence of the growth of cyanobacterium and streptomycete monocultures and in the control sample of vermiculite. Therefore, the association's biodegradation impact on the mineral structure was significantly greater than the influence of the monocultures of cyanobacteria and actinomycetes.

Transient Structures and Possible Limits of Data Recording in Phase-Change Materials.

PubMed

Hu, Jianbo; Vanacore, Giovanni M; Yang, Zhe; Miao, Xiangshui; Zewail, Ahmed H

2015-07-28

Phase-change materials (PCMs) represent the leading candidates for universal data storage devices, which exploit the large difference in the physical properties of their transitional lattice structures. On a nanoscale, it is fundamental to determine their performance, which is ultimately controlled by the speed limit of transformation among the different structures involved. Here, we report observation with atomic-scale resolution of transient structures of nanofilms of crystalline germanium telluride, a prototypical PCM, using ultrafast electron crystallography. A nonthermal transformation from the initial rhombohedral phase to the cubic structure was found to occur in 12 ps. On a much longer time scale, hundreds of picoseconds, equilibrium heating of the nanofilm is reached, driving the system toward amorphization, provided that high excitation energy is invoked. These results elucidate the elementary steps defining the structural pathway in the transformation of crystalline-to-amorphous phase transitions and describe the essential atomic motions involved when driven by an ultrafast excitation. The establishment of the time scales of the different transient structures, as reported here, permits determination of the possible limit of performance, which is crucial for high-speed recording applications of PCMs.

Time-dependent structural transformation analysis to high-level Petri net model with active state transition diagram.

PubMed

Li, Chen; Nagasaki, Masao; Saito, Ayumu; Miyano, Satoru

2010-04-01

With an accumulation of in silico data obtained by simulating large-scale biological networks, a new interest of research is emerging for elucidating how living organism functions over time in cells. Investigating the dynamic features of current computational models promises a deeper understanding of complex cellular processes. This leads us to develop a method that utilizes structural properties of the model over all simulation time steps. Further, user-friendly overviews of dynamic behaviors can be considered to provide a great help in understanding the variations of system mechanisms. We propose a novel method for constructing and analyzing a so-called active state transition diagram (ASTD) by using time-course simulation data of a high-level Petri net. Our method includes two new algorithms. The first algorithm extracts a series of subnets (called temporal subnets) reflecting biological components contributing to the dynamics, while retaining positive mathematical qualities. The second one creates an ASTD composed of unique temporal subnets. ASTD provides users with concise information allowing them to grasp and trace how a key regulatory subnet and/or a network changes with time. The applicability of our method is demonstrated by the analysis of the underlying model for circadian rhythms in Drosophila. Building ASTD is a useful means to convert a hybrid model dealing with discrete, continuous and more complicated events to finite time-dependent states. Based on ASTD, various analytical approaches can be applied to obtain new insights into not only systematic mechanisms but also dynamics.

Towards methodical modelling: Differences between the structure and output dynamics of multiple conceptual models

NASA Astrophysics Data System (ADS)

Knoben, Wouter; Woods, Ross; Freer, Jim

2016-04-01

Conceptual hydrologic models consist of a certain arrangement of spatial and temporal dynamics consisting of stores, fluxes and transformation functions, depending on the modeller's choices and intended use. They have the advantages of being computationally efficient, being relatively easy model structures to reconfigure and having relatively low input data demands. This makes them well-suited for large-scale and large-sample hydrology, where appropriately representing the dominant hydrologic functions of a catchment is a main concern. Given these requirements, the number of parameters in the model cannot be too high, to avoid equifinality and identifiability issues. This limits the number and level of complexity of dominant hydrologic processes the model can represent. Specific purposes and places thus require a specific model and this has led to an abundance of conceptual hydrologic models. No structured overview of these models exists and there is no clear method to select appropriate model structures for different catchments. This study is a first step towards creating an overview of the elements that make up conceptual models, which may later assist a modeller in finding an appropriate model structure for a given catchment. To this end, this study brings together over 30 past and present conceptual models. The reviewed model structures are simply different configurations of three basic model elements (stores, fluxes and transformation functions), depending on the hydrologic processes the models are intended to represent. Differences also exist in the inner workings of the stores, fluxes and transformations, i.e. the mathematical formulations that describe each model element's intended behaviour. We investigate the hypothesis that different model structures can produce similar behavioural simulations. This can clarify the overview of model elements by grouping elements which are similar, which can improve model structure selection.

Quantization and Superselection Sectors I:. Transformation Group C*-ALGEBRAS

NASA Astrophysics Data System (ADS)

Landsman, N. P.

Quantization is defined as the act of assigning an appropriate C*-algebra { A} to a given configuration space Q, along with a prescription mapping self-adjoint elements of { A} into physically interpretable observables. This procedure is adopted to solve the problem of quantizing a particle moving on a homogeneous locally compact configuration space Q=G/H. Here { A} is chosen to be the transformation group C*-algebra corresponding to the canonical action of G on Q. The structure of these algebras and their representations are examined in some detail. Inequivalent quantizations are identified with inequivalent irreducible representations of the C*-algebra corresponding to the system, hence with its superselection sectors. Introducing the concept of a pre-Hamiltonian, we construct a large class of G-invariant time-evolutions on these algebras, and find the Hamiltonians implementing these time-evolutions in each irreducible representation of { A}. “Topological” terms in the Hamiltonian (or the corresponding action) turn out to be representation-dependent, and are automatically induced by the quantization procedure. Known “topological” charge quantization or periodicity conditions are then identically satisfied as a consequence of the representation theory of { A}.

Comb model for the anomalous diffusion with dual-phase-lag constitutive relation

NASA Astrophysics Data System (ADS)

Liu, Lin; Zheng, Liancun; Fan, Yu; Chen, Yanping; Liu, Fawang

2018-10-01

As a development of the Fick's model, the dual-phase-lag constitutive relationship with macroscopic and microscopic relaxation characteristics is introduced to describe the anomalous diffusion in comb model. The Dirac delta function in the formulated governing equation represents the special spatial structure of comb model that the horizontal current only exists on the x axis. Solutions are obtained by analytical method with Laplace transform and Fourier transform. The dependence of concentration field and mean square displacement on different parameters are presented and discussed. Results show that the macroscopic and microscopic relaxation parameters have opposite effects on the particle distribution and mean square displacement. Furthermore, four significant results with constant 1/2 are concluded, namely the product of the particle number and the mean square displacement on the x axis equals to 1/2, the exponent of mean square displacement is 1/2 at the special case τq= τP, an asymptotic form of mean square displacement (MSD∼t1/2 as t→0, ∞) is obtained as well at the short time behavior and the long time behavior.

Influences of W Content on the Phase Transformation Properties and the Associated Stress Change in Thin Film Substrate Combinations Studied by Fabrication and Characterization of Thin Film V1- xW xO2 Materials Libraries.

PubMed

Wang, Xiao; Rogalla, Detlef; Ludwig, Alfred

2018-04-09

The mechanical stress change of VO 2 film substrate combinations during their reversible phase transformation makes them promising for applications in micro/nanoactuators. V 1- x W x O 2 thin film libraries were fabricated by reactive combinatorial cosputtering to investigate the effects of the addition of W on mechanical and other transformation properties. High-throughput characterization methods were used to systematically determine the composition spread, crystalline structure, surface topography, as well as the temperature-dependent phase transformation properties, that is, the hysteresis curves of the resistance and stress change. The study indicates that as x in V 1- x W x O 2 increases from 0.007 to 0.044 the crystalline structure gradually shifts from the VO 2 (M) phase to the VO 2 (R) phase. The transformation temperature decreases by 15 K/at. % and the resistance change is reduced to 1 order of magnitude, accompanied by a wider transition range and a narrower hysteresis with a minimal value of 1.8 K. A V 1- x W x O 2 library deposited on a Si 3 N 4 /SiO 2 -coated Si cantilever array wafer was used to study simultaneously the temperature-dependent stress change σ( T) of films with different W content through the phase transformation. Compared with σ( T) of ∼700 MPa of a VO 2 film, σ( T) in V 1- x W x O 2 films decreases to ∼250 MPa. Meanwhile, σ( T) becomes less abrupt and occurs over a wider temperature range with decreased transformation temperatures.

Optimized effective potential in real time: Problems and prospects in time-dependent density-functional theory

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

Mundt, Michael; Kuemmel, Stephan

2006-08-15

The integral equation for the time-dependent optimized effective potential (TDOEP) in time-dependent density-functional theory is transformed into a set of partial-differential equations. These equations only involve occupied Kohn-Sham orbitals and orbital shifts resulting from the difference between the exchange-correlation potential and the orbital-dependent potential. Due to the success of an analog scheme in the static case, a scheme that propagates orbitals and orbital shifts in real time is a natural candidate for an exact solution of the TDOEP equation. We investigate the numerical stability of such a scheme. An approximation beyond the Krieger-Li-Iafrate approximation for the time-dependent exchange-correlation potential ismore » analyzed.« less

Unique Fock quantization of scalar cosmological perturbations

NASA Astrophysics Data System (ADS)

Fernández-Méndez, Mikel; Mena Marugán, Guillermo A.; Olmedo, Javier; Velhinho, José M.

2012-05-01

We investigate the ambiguities in the Fock quantization of the scalar perturbations of a Friedmann-Lemaître-Robertson-Walker model with a massive scalar field as matter content. We consider the case of compact spatial sections (thus avoiding infrared divergences), with the topology of a three-sphere. After expanding the perturbations in series of eigenfunctions of the Laplace-Beltrami operator, the Hamiltonian of the system is written up to quadratic order in them. We fix the gauge of the local degrees of freedom in two different ways, reaching in both cases the same qualitative results. A canonical transformation, which includes the scaling of the matter-field perturbations by the scale factor of the geometry, is performed in order to arrive at a convenient formulation of the system. We then study the quantization of these perturbations in the classical background determined by the homogeneous variables. Based on previous work, we introduce a Fock representation for the perturbations in which: (a) the complex structure is invariant under the isometries of the spatial sections and (b) the field dynamics is implemented as a unitary operator. These two properties select not only a unique unitary equivalence class of representations, but also a preferred field description, picking up a canonical pair of field variables among all those that can be obtained by means of a time-dependent scaling of the matter field (completed into a linear canonical transformation). Finally, we present an equivalent quantization constructed in terms of gauge-invariant quantities. We prove that this quantization can be attained by a mode-by-mode time-dependent linear canonical transformation which admits a unitary implementation, so that it is also uniquely determined.

Time and metamorphic petrology: Calcite to aragonite experiments

USGS Publications Warehouse

Hacker, B.R.; Kirby, S.H.; Bohlen, S.R.

1992-01-01

Although the equilibrium phase relations of many mineral systems are generally well established, the rates of transformations, particularly in polycrystalline rocks, are not. The results of experiments on the calcite to aragonite transformation in polycrystalline marble are different from those for earlier experiments on powdered and single-crystal calcite. The transformation in the polycrystalline samples occurs by different mechanisms, with a different temperature dependence, and at a markedly slower rate. This work demonstrates the importance of kinetic studies on fully dense polycrystalline aggregates for understanding mineralogic phase changes in nature. Extrapolation of these results to geological time scales suggests that transformation of calcite to aragonite does not occur in the absence of volatiles at temperatures below 200??C. Kinetic hindrance is likely to extend to higher temperatures in more complex transformations.

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

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

Williams, Gareth O.; Künzel, S.; Daboussi, S.

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. Here, we compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data,more » suggestive of a temperature-dependent electronic structure in warm dense matter.« less

Tracking the ultrafast XUV optical properties of x-ray free-electron-laser heated matter with high-order harmonics

DOE PAGES

Williams, Gareth O.; Künzel, S.; Daboussi, S.; ...

2018-02-14

We present measurements of photon absorption by free electrons as a solid is transformed to plasma. A femtosecond x-ray free-electron laser is used to heat a solid, which separates the electron and ion heating time scales. The changes in absorption are measured with an independent probe pulse created through high-order-harmonic generation. We find an increase in electron temperature to have a relatively small impact on absorption, contrary to several predictions, whereas ion heating increases absorption. Here, we compare the data to current theoretical and numerical approaches and find that a smoother electronic structure yields a better fit to the data,more » suggestive of a temperature-dependent electronic structure in warm dense matter.« less

Cryo-EM image alignment based on nonuniform fast Fourier transform.

PubMed

Yang, Zhengfan; Penczek, Pawel A

2008-08-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform fast Fourier transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis.

Cryo-EM Image Alignment Based on Nonuniform Fast Fourier Transform

PubMed Central

Yang, Zhengfan; Penczek, Pawel A.

2008-01-01

In single particle analysis, two-dimensional (2-D) alignment is a fundamental step intended to put into register various particle projections of biological macromolecules collected at the electron microscope. The efficiency and quality of three-dimensional (3-D) structure reconstruction largely depends on the computational speed and alignment accuracy of this crucial step. In order to improve the performance of alignment, we introduce a new method that takes advantage of the highly accurate interpolation scheme based on the gridding method, a version of the nonuniform Fast Fourier Transform, and utilizes a multi-dimensional optimization algorithm for the refinement of the orientation parameters. Using simulated data, we demonstrate that by using less than half of the sample points and taking twice the runtime, our new 2-D alignment method achieves dramatically better alignment accuracy than that based on quadratic interpolation. We also apply our method to image to volume registration, the key step in the single particle EM structure refinement protocol. We find that in this case the accuracy of the method not only surpasses the accuracy of the commonly used real-space implementation, but results are achieved in much shorter time, making gridding-based alignment a perfect candidate for efficient structure determination in single particle analysis. PMID:18499351

Methodology for object-oriented real-time systems analysis and design: Software engineering

NASA Technical Reports Server (NTRS)

Schoeffler, James D.

1991-01-01

Successful application of software engineering methodologies requires an integrated analysis and design life-cycle in which the various phases flow smoothly 'seamlessly' from analysis through design to implementation. Furthermore, different analysis methodologies often lead to different structuring of the system so that the transition from analysis to design may be awkward depending on the design methodology to be used. This is especially important when object-oriented programming is to be used for implementation when the original specification and perhaps high-level design is non-object oriented. Two approaches to real-time systems analysis which can lead to an object-oriented design are contrasted: (1) modeling the system using structured analysis with real-time extensions which emphasizes data and control flows followed by the abstraction of objects where the operations or methods of the objects correspond to processes in the data flow diagrams and then design in terms of these objects; and (2) modeling the system from the beginning as a set of naturally occurring concurrent entities (objects) each having its own time-behavior defined by a set of states and state-transition rules and seamlessly transforming the analysis models into high-level design models. A new concept of a 'real-time systems-analysis object' is introduced and becomes the basic building block of a series of seamlessly-connected models which progress from the object-oriented real-time systems analysis and design system analysis logical models through the physical architectural models and the high-level design stages. The methodology is appropriate to the overall specification including hardware and software modules. In software modules, the systems analysis objects are transformed into software objects.

Model-based framework for multi-axial real-time hybrid simulation testing

NASA Astrophysics Data System (ADS)

Fermandois, Gaston A.; Spencer, Billie F.

2017-10-01

Real-time hybrid simulation is an efficient and cost-effective dynamic testing technique for performance evaluation of structural systems subjected to earthquake loading with rate-dependent behavior. A loading assembly with multiple actuators is required to impose realistic boundary conditions on physical specimens. However, such a testing system is expected to exhibit significant dynamic coupling of the actuators and suffer from time lags that are associated with the dynamics of the servo-hydraulic system, as well as control-structure interaction (CSI). One approach to reducing experimental errors considers a multi-input, multi-output (MIMO) controller design, yielding accurate reference tracking and noise rejection. In this paper, a framework for multi-axial real-time hybrid simulation (maRTHS) testing is presented. The methodology employs a real-time feedback-feedforward controller for multiple actuators commanded in Cartesian coordinates. Kinematic transformations between actuator space and Cartesian space are derived for all six-degrees-offreedom of the moving platform. Then, a frequency domain identification technique is used to develop an accurate MIMO transfer function of the system. Further, a Cartesian-domain model-based feedforward-feedback controller is implemented for time lag compensation and to increase the robustness of the reference tracking for given model uncertainty. The framework is implemented using the 1/5th-scale Load and Boundary Condition Box (LBCB) located at the University of Illinois at Urbana- Champaign. To demonstrate the efficacy of the proposed methodology, a single-story frame subjected to earthquake loading is tested. One of the columns in the frame is represented physically in the laboratory as a cantilevered steel column. For realtime execution, the numerical substructure, kinematic transformations, and controllers are implemented on a digital signal processor. Results show excellent performance of the maRTHS framework when six-degrees-of-freedom are controlled at the interface between substructures.

Full-waveform detection of non-impulsive seismic events based on time-reversal methods

NASA Astrophysics Data System (ADS)

Solano, Ericka Alinne; Hjörleifsdóttir, Vala; Liu, Qinya

2017-12-01

We present a full-waveform detection method for non-impulsive seismic events, based on time-reversal principles. We use the strain Green's tensor as a matched filter, correlating it with continuous observed seismograms, to detect non-impulsive seismic events. We show that this is mathematically equivalent to an adjoint method for detecting earthquakes. We define the detection function, a scalar valued function, which depends on the stacked correlations for a group of stations. Event detections are given by the times at which the amplitude of the detection function exceeds a given value relative to the noise level. The method can make use of the whole seismic waveform or any combination of time-windows with different filters. It is expected to have an advantage compared to traditional detection methods for events that do not produce energetic and impulsive P waves, for example glacial events, landslides, volcanic events and transform-fault earthquakes for events which velocity structure along the path is relatively well known. Furthermore, the method has advantages over empirical Greens functions template matching methods, as it does not depend on records from previously detected events, and therefore is not limited to events occurring in similar regions and with similar focal mechanisms as these events. The method is not specific to any particular way of calculating the synthetic seismograms, and therefore complicated structural models can be used. This is particularly beneficial for intermediate size events that are registered on regional networks, for which the effect of lateral structure on the waveforms can be significant. To demonstrate the feasibility of the method, we apply it to two different areas located along the mid-oceanic ridge system west of Mexico where non-impulsive events have been reported. The first study area is between Clipperton and Siqueiros transform faults (9°N), during the time of two earthquake swarms, occurring in March 2012 and May 2016. The second area of interest is the Gulf of California where two swarms took place during July and September of 2015. We show that we are able to detect previously non-reported, non-impulsive events and recommend that this method be used together with more traditional template matching methods to maximize the number of detected events.

First order coupled dynamic model of flexible space structures with time-varying configurations

NASA Astrophysics Data System (ADS)

Wang, Jie; Li, Dongxu; Jiang, Jianping

2017-03-01

This paper proposes a first order coupled dynamic modeling method for flexible space structures with time-varying configurations for the purpose of deriving the characteristics of the system. The model considers the first time derivative of the coordinate transformation matrix between the platform's body frame and the appendage's floating frame. As a result it can accurately predict characteristics of the system even if flexible appendages rotate with complex trajectory relative to the rigid part. In general, flexible appendages are fixed on the rigid platform or forced to rotate with a slow angular velocity. So only the zero order of the transformation matrix is considered in conventional models. However, due to neglecting of time-varying terms of the transformation matrix, these models introduce severe error when appendages, like antennas, for example, rotate with a fast speed relative to the platform. The first order coupled dynamic model for flexible space structures proposed in this paper resolve this problem by introducing the first time derivative of the transformation matrix. As a numerical example, a central core with a rotating solar panel is considered and the results are compared with those given by the conventional model. It has been shown that the first order terms are of great importance on the attitude of the rigid body and dynamic response of the flexible appendage.

Structural and optical properties of SiC-SiO2 nanocomposite thin films

NASA Astrophysics Data System (ADS)

Bozetine, I.; Keffous, A.; Kaci, S.; Menari, H.; Manseri, A.

2018-03-01

This study deals with the deposition of thin films of a SiC-SiO2nanocomposite deposited on silicon substrates. The deposition is carried out by a co-sputtering RF magnetron 13.56 MHz, using two targets a polycristallin 6H-SiC and sprigs of SiO2. In order to study the influence of the deposition time on the morphology, the structural and optical properties of the thin films produced, two series of samples were prepared, namely a series A with a 30 min deposition time and a series B of one hour duration. The samples were investigated using different characterization techniques such as Scanning Electron Microscope (SEM), X-ray Diffraction (DRX), Fourier Transform Infrared Spectroscopy (FTIR), Secondary Ion Mass Spectrometry (SIMS) and photoluminescence. The results obtained, reveal an optical gap varies between 1.4 and 2.4 eV depending on the thickness of the film; thus depending on the deposition time. The SIMS profile recorded the presence of oxygen (16O) on the surface, which the signal beneath the silicon signal (28Si) and carbon (12C) signals, which confirms that the oxide (SiO2) is the first material deposited at the interface film - substrate with an a-OSiC structure. The photoluminescence (PL) measurement exhibits two peaks, centred at 390 nm due to the oxide and at 416 nm due probably to the nanocrystals of SiC crystals, note that when the deposition time increases, the intensity of the PL drops drastically, result in agreement with dense and smooth film.

Effect of reduction time on third order optical nonlinearity of reduced graphene oxide

NASA Astrophysics Data System (ADS)

Sreeja, V. G.; Vinitha, G.; Reshmi, R.; Anila, E. I.; Jayaraj, M. K.

2017-04-01

We report the influence of reduction time on structural, linear and nonlinear optical properties of reduced graphene oxide (rGO) thin films synthesized by spin coating method. We observed that the structural, linear and nonlinear optical properties can be tuned with reduction time in GO is due to the increased structural ordering because of the restoration of sp2 carbon atoms with the time of reduction. The nonlinear absorption studies by open aperture Z-scan technique exhibited a saturable absorption. The nonlinear refraction studies showed the self de focusing nature of rGO by closed aperture Z scan technique. The nonlinear absorption coefficient and saturation intensity varies with the time for reduction of GO which is attributed to the depletion of valence band and the conduction band filling effect. Our results emphasize duration for reduction of GO dependent optical nonlinearity of rGO thin films to a great extent and explore its applications Q switched mode locking laser systems for generating ultra short laser pulses and in optical sensors. The rGO coated films were characterized by X-Ray diffraction method (XRD), Fourier transform infrared spectroscopy (FTIR), Raman spectroscopy, UV-Vis absorption spectroscopy (UV-Vis), Photoluminescence (PL) and Scanning electron microscope (SEM) measurements.

Spatial transformation abilities and their relation to later mathematics performance.

PubMed

Frick, Andrea

2018-04-10

Using a longitudinal approach, this study investigated the relational structure of different spatial transformation skills at kindergarten age, and how these spatial skills relate to children's later mathematics performance. Children were tested at three time points, in kindergarten, first grade, and second grade (N = 119). Exploratory factor analyses revealed two subcomponents of spatial transformation skills: one representing egocentric transformations (mental rotation and spatial scaling), and one representing allocentric transformations (e.g., cross-sectioning, perspective taking). Structural equation modeling suggested that egocentric transformation skills showed their strongest relation to the part of the mathematics test tapping arithmetic operations, whereas allocentric transformations were strongly related to Numeric-Logical and Spatial Functions as well as geometry. The present findings point to a tight connection between early mental transformation skills, particularly the ones requiring a high level of spatial flexibility and a strong sense for spatial magnitudes, and children's mathematics performance at the beginning of their school career.

Cucheb: A GPU implementation of the filtered Lanczos procedure

NASA Astrophysics Data System (ADS)

Aurentz, Jared L.; Kalantzis, Vassilis; Saad, Yousef

2017-11-01

This paper describes the software package Cucheb, a GPU implementation of the filtered Lanczos procedure for the solution of large sparse symmetric eigenvalue problems. The filtered Lanczos procedure uses a carefully chosen polynomial spectral transformation to accelerate convergence of the Lanczos method when computing eigenvalues within a desired interval. This method has proven particularly effective for eigenvalue problems that arise in electronic structure calculations and density functional theory. We compare our implementation against an equivalent CPU implementation and show that using the GPU can reduce the computation time by more than a factor of 10. Program Summary Program title: Cucheb Program Files doi:http://dx.doi.org/10.17632/rjr9tzchmh.1 Licensing provisions: MIT Programming language: CUDA C/C++ Nature of problem: Electronic structure calculations require the computation of all eigenvalue-eigenvector pairs of a symmetric matrix that lie inside a user-defined real interval. Solution method: To compute all the eigenvalues within a given interval a polynomial spectral transformation is constructed that maps the desired eigenvalues of the original matrix to the exterior of the spectrum of the transformed matrix. The Lanczos method is then used to compute the desired eigenvectors of the transformed matrix, which are then used to recover the desired eigenvalues of the original matrix. The bulk of the operations are executed in parallel using a graphics processing unit (GPU). Runtime: Variable, depending on the number of eigenvalues sought and the size and sparsity of the matrix. Additional comments: Cucheb is compatible with CUDA Toolkit v7.0 or greater.

Phase Equilibria and Transition in Mixtures of a Homopolymer and a Block Copolymer. I. Small-Angle X-Ray Scattering Study.

DTIC Science & Technology

1983-03-08

tlh repow ) !Unclassified lie. DECLASSI FICATION/ DOWNGRADING SCHEDULE 16. DISTRIBUTION STATEMENT ( of this Report) Distribution Unlimited, Approved for...a block copolymer can sometimes be transformed into a homogeneous, disordered structure. The tem- perature of the transition depends on the degree of ...probably that the morphology is gradually transformed from spherical to cylindrical and eventually to lamellar packing. There is, however, no evidence of

Recent progress in Fourier Transform Infrared (FTIR) spectroscopy study of compositional, structural, and physical attributes of developmental cotton fibers

USDA-ARS?s Scientific Manuscript database

Cotton fibers are natural plant products and their end-use qualities depend on their stages of development. In general, the quantity of natural fiber cellulose I (ß 1'4 linked glucose residues) increases rapidly, thus it leads to compositional, structural, and physical attribute variations among the...

Microstructural stability of fine-grained fully lamellar XD TiAl alloys by step aging

NASA Astrophysics Data System (ADS)

Zhu, Hanliang; Maruyama, K.; Seo, D. Y.; Au, P.

2005-05-01

XD TiAl alloys (Ti-45 and 47Al-2Nb-2Mn+0.8 vol pct TiB2) (at. pct) were oil quenched to produce fine-grained fully lamellar (FGFL) structures, and aging treatments at different temperatures for different durations were carried out to stabilize the FGFL structures. Microstructural examinations show that the aging treatments cause phase transformation of α 2 to γ, resulting in stabilization of the lamellar structure, as indicated by a significant decrease in α 2 volume fraction. However, several degradation processes are also introduced. After aging, within lamellar colonies, the α 2 lamellae become finer due to dissolution, whereas most of the γ lamellae coarsen. The dissolution of α 2 involves longitudinal dissolution and lateral dissolution. In addition, at lamellar colony boundaries, lamellar termination migration, nucleation and growth of γ grains, and discontinuous coarsening occur. With the exception of longitudinal dissolution, all the other transformation modes are considered as degradation processes as they result in a reduction in α 2/ γ interfaces. Different phase transformation modes are present to varying degrees in the aged FGFL structures, depending on aging conditions and Al content. A multiple step aging reduces the drive force for phase transformation at high temperature by promoting phase transformation via longitudinal dissolution at low temperatures. As a result, this aging procedure effectively stabilizes the lamellar structure and suppresses other degradation processes. Therefore, the multiple step aging is suggested to be an optimal aging condition for stabilizing FGFL XD TiAl alloys.

Landau problem with time dependent mass in time dependent electric and harmonic background fields

NASA Astrophysics Data System (ADS)

Lawson, Latévi M.; Avossevou, Gabriel Y. H.

2018-04-01

The spectrum of a Hamiltonian describing the dynamics of a Landau particle with time-dependent mass and frequency undergoing the influence of a uniform time-dependent electric field is obtained. The configuration space wave function of the model is expressed in terms of the generalised Laguerre polynomials. To diagonalize the time-dependent Hamiltonian, we employ the Lewis-Riesenfeld method of invariants. To this end, we introduce a unitary transformation in the framework of the algebraic formalism to construct the invariant operator of the system and then to obtain the exact solution of the Hamiltonian. We recover the solutions of the ordinary Landau problem in the absence of the electric and harmonic fields for a constant particle mass.

Real-Time Examination of Atomistic Mechanisms during Shock-Induced Structural Transformation in Silicon

DOE PAGES

Turneaure, Stefan J.; Sinclair, N.; Gupta, Y. M.

2016-07-20

Experimental determination of atomistic mechanisms linking crystal structures during a compression driven solid-solid phase transformation is a long standing and challenging scientific objective. Also, when using new capabilities at the Dynamic Compression Sector at the Advanced Photon Source, the structure of shocked Si at 19 GPa was identified as simple hexagonal and the lattice orientations between ambient cubic diamond and simple hexagonal structures were related. Furthermore, this approach is general and provides a powerful new method for examining atomistic mechanisms during stress-induced structural changes.

Influence of Magnesium Content on the Local Structure of Amorphous Calcium Carbonate (ACC): Real Time Determination by In Situ PDF Analysis

NASA Astrophysics Data System (ADS)

Mergelsberg, S. T.; Ulrich, R. N.; Michel, F. M.; Dove, P. M.

2016-12-01

Calcium carbonate minerals are an essential component in the exoskeletons of crustaceans and mollusks. The onset of exoskeleton mineralization includes the precipitation of amorphous calcium carbonate (ACC) as a reactive intermediate that later transforms to produce diverse structures. Despite the importance of ACC as a critical phase during skeleton formation, the chemical and physical properties are not well characterized at conditions that approximate biological environments. Of particular interest are the solubility of ACC, the short-range structure at the time of formation, and the evolution of ACC structure to final products. Recent advances showing the widespread occurrence of multistep pathways to mineralization in biological and geological settings (De Yoreo et al., 2015) underline the importance of understanding amorphous intermediates. Using quantitative laboratory techniques developed by our research group (Blue et al., 2013; Blue and Dove, 2015; Blue et al., in press), this experimental study quantifies the solubility of ACC in parallel with the physical characterization of the corresponding structure. We measured ACC solubility at specific time points during the precipitation and during its subsequent evolution under the mild pH conditions that approximate biological and environmental conditions. In parallel experiments, structural data were collected from in situ pair distribution function (PDF) analyses were conducted to follow the evolution of individual samples from initial precipitation to final product. The measurements are leading to a quantitative solubility function for ACC with variable Mg contents and an x-ray based understanding of ACC structure in the same particles. We are also finding temporal changes in the short-range order of ACC after precipitation and this order is dependent upon Mg content. Moreover, the data show Mg distribution through the ACC particles is dependent upon total alkalinity. Insights from this study hold promise for better understanding the nature of the initial ACC that forms and factors that influence its structural evolution to final products.

A Geomorphologic Synthesis of Nonlinearity in Surface Runoff

NASA Astrophysics Data System (ADS)

Wang, C. T.; Gupta, Vijay K.; Waymire, Ed

1981-06-01

The geomorphic approach leading to a representation of an instantaneous unit hydrograph (iuh) which we developed earlier is generalized to incorporate nonlinear effects in the rainfall-runoff transformation. It is demonstrated that the nonlinearity in the transformation enters in part through the dependence of the mean holding time on the rainfall intensity. Under an assumed first approximation that this dependence is the sole source of nonlinearity an explicit quasi-linear representation results for the rainfall- runoff transformation. The kernel function of this transformation can be termed as the instantaneous response function (irf) in contradistinction to the notion of an iuh for the case of a linear rainfall-runoff transformation. The predictions from the quasi-linear theory agree very well with predictions from the kinematic wave approach for the one small basin that is analyzed. Also, for two large basins in Illinois having areas of about 1100 mi2 the predictions from the quasi-linear approach compare very well with the observed flows. A measure of nonlinearity, α naturally arises through the dependence of the mean holding time KB(i0) on the rainfall intensity i0via KB (i0) ˜ i0 -α. Computations of α for four basins show that α approaches ⅔ as basin size decreases and approaches zero as the basin size increases. A semilog plot of α versus the square root of the basin area gives a straight line. Confirmation of this relationship for other basins would be of basic importance in predicting flows from ungaged basins.

X-rays effects on cytoskeleton mechanics of healthy and tumor cells.

PubMed

Panzetta, Valeria; De Menna, Marta; Musella, Ida; Pugliese, Mariagabriella; Quarto, Maria; Netti, Paolo A; Fusco, Sabato

2017-01-01

Alterations in the cytoskeleton structure are frequently found in several diseases and particularly in cancer cells. It is also through the alterations of the cytoskeleton structure that cancer cells acquire most of their common features such as uncontrolled cell proliferation, cell death evasion, and the gaining of migratory and invasive characteristics. Although radiation therapies currently represent one of the most effective treatments for patients, the effects of X-irradiation on the cytoskeleton architecture are still poorly understood. In this case we investigated the effects, over time of two different doses of X-ray irradiation, on cell cytoskeletons of BALB/c3T3 and Sv40-transformed BALB/c 3T3 cells (SVT2). Biophysical parameters - focal adhesion size, actin bundles organization, and cell mechanical properties - were measured before and after irradiations (1 and 2 Gy) at 24 and 72 h, comparing the cytoskeleton properties of normal and transformed cells. The differences, before and after X-irradiation, were revealed in terms of cell morphology and deformability. Finally, such parameters were correlated to the alterations of cytoskeleton dynamics by evaluating cell adhesion at the level of focal adhesion and cytoskeleton mechanics. X-irradiation modifies the structure and the activity of cell cytoskeleton in a dose-dependent manner. For transformed cells, radiation sensitively increased cell adhesion, as indicated by paxillin-rich focal adhesion, flat morphology, a well-organized actin cytoskeleton, and intracellular mechanics. On the other hand, for normal fibroblasts IR had negligible effects on cytoskeletal and adhesive protein organization. © 2016 Wiley Periodicals, Inc. © 2016 Wiley Periodicals, Inc.

Modelling and measurement of bandgap behaviour in medium-wavelength IR InAs/InAs0.815Sb0.185 strained-layer superlattices

NASA Astrophysics Data System (ADS)

Letka, Veronica; Keen, James; Craig, Adam; Marshall, Andrew R. J.

2017-10-01

InAs/InAs1-xSbx type-II strained-layer superlattices (SLS) are a structure with potential infrared detection applications, owing to its tunable bandgap and suppressed Auger recombination. A series of medium-wavelength infrared (MWIR) InAs/InAs0.815Sb0.185 SLS structures, grown as undoped absorption epilayers on GaAs, were fabricated using molecular beam epitaxy in order to study the dependence of the ground state transitions on temperature and superlattice period thickness. Photoluminescence peaks at 4 K were obtained with the use of a helium-cooled micro-PL system and an InSb detector, and temperature-dependent absorption spectra were measured in the range 77 K - 300 K on a Fourier Transform Infrared (FTIR) spectrometer, equipped with a 1370 K blackbody source and a DTGS detector. An nBn device sample with the absorber structure identical to one of the undoped samples was also grown and processed with the goal of measuring temperature-dependent spectral response. A model for superlattice band alignment was also devised, incorporating the Bir-Pikus transformation results for uniaxial and biaxial strain, and the Einstein oscillator model for bandgap temperature dependence. Absorption coefficients of several 1000 cm-1 throughout the entire MWIR range are found for all samples, and temperature dependence of the bandgaps is extracted and compared to the model. This and photoluminescence data also demonstrate bandgap shifts consistent with the different superlattice periods of the three samples.

Non-chapped, vertically well aligned titanium dioxide nanotubes fabricated by electrochemical etching

NASA Astrophysics Data System (ADS)

Loan Nguyen, Thu; Dieu Thuy Ung, Thi; Liem Nguyen, Quang

2014-06-01

This paper reports on the fabrication of non-chapped, vertically well aligned titanium dioxide nanotubes (TONTs) by using electrochemical etching method and further heat treatment. Very highly ordered metallic titanium nanotubes (TNTs) were formed by directly anodizing titanium foil at room temperature in an electrolyte composed of ammonium fluoride (NH4F), ethylene glycol (EG), and water. The morphology of as-formed TNTs is greatly dependent on the applied voltage, NH4F content and etching time. Particularly, we have found two interesting points related to the formation of TNTs: (i) the smooth surface without chaps of the largely etched area was dependent on the crystalline orientation of the titanium foil; and (ii) by increasing the anodizing potential from 15 V to 20 V, the internal diameter of TNT was increased from about 50 nm to 60 nm and the tube density decreased from 403 tubes μm-2 down to 339 tubes μm-2, respectively. For the anodizing duration from 1 h to 5 h, the internal diameter of each TNT was increased from ˜30 nm to 60 nm and the tube density decreased from 496 tubes μm-2 down to 403 tubes μm-2. After annealing at 400 °C in open air for 1 h, the TNTs were transformed into TONTs in anatase structure; further annealing at 600 °C showed the structural transformation from anatase to rutile as determined by Raman scattering spectroscopy.

GRAMPS: a graphics language interpreter for real-time, interactive, three-dimensional picture editing and animation

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

O'Donnell, T.J.; Olson, A.J.

1981-08-01

GRAMPS, a graphics language interpreter has been developed in FORTRAN 77 to be used in conjunction with an interactive vector display list processor (Evans and Sutherland Multi-Picture-System). Several of the features of the language make it very useful and convenient for real-time scene construction, manipulation and animation. The GRAMPS language syntax allows natural interaction with scene elements as well as easy, interactive assignment of graphics input devices. GRAMPS facilitates the creation, manipulation and copying of complex nested picture structures. The language has a powerful macro feature that enables new graphics commands to be developed and incorporated interactively. Animation may bemore » achieved in GRAMPS by two different, yet mutually compatible means. Picture structures may contain framed data, which consist of a sequence of fixed objects. These structures may be displayed sequentially to give a traditional frame animation effect. In addition, transformation information on picture structures may be saved at any time in the form of new macro commands that will transform these structures from one saved state to another in a specified number of steps, yielding an interpolated transformation animation effect. An overview of the GRAMPS command structure is given and several examples of application of the language to molecular modeling and animation are presented.« less

Effect of elastic collisions and electronic excitation on lattice structure of NiTi bulk intermetallic compound irradiated with energetic ions

NASA Astrophysics Data System (ADS)

Ochi, M.; Kojima, H.; Hori, F.; Kaneno, Y.; Semboshi, S.; Saitoh, Y.; Okamoto, Y.; Ishikawa, N.; Iwase, A.

2018-07-01

NiTi bulk intermetallic compound with the B19‧ structure was irradiated with 1 MeV He, 5 MeV Al, 16 MeV Au and 200 MeV Xe ions, and the change in lattice structure near the surface by the ion bombardment was investigated by using the grazing incidence X-ray diffraction (GIXD) and the extended X-ray absorption fine structure (EXAFS). The lattice structure transformation by the irradiation strongly depends on ion species and/or energies. For the 1 MeV He irradiation, the lattice structure changed from B19‧ to the A2 structure, but did not show an amorphization even after the high fluence irradiation. For the 5 MeV Al irradiation, the samples are partially amorphized. For the 16 MeV Au irradiation, the lattice structure of the NiTi samples changed nearly completely from the B19‧ structure to the amorphous state via the A2 structure. The value of dpa (displacement per atom) which is needed for the amorphization is, however, much smaller than the case of the Al ion irradiation. For the 200 MeV Xe ion irradiation, the lattice structure completely changed to the A2 structure even by a small ion fluence. The dependence of the lattice structure transformation on elastic collisions (dpa), the spectrum of the primary knock-on (PKA) atoms and the density of energy deposited through electronic excitation was discussed.

Experimental Investigation of the Electrothermal Instability on Planar Foil Ablation Experiments

NASA Astrophysics Data System (ADS)

Steiner, Adam; Patel, Sonal; Yager-Elorriaga, David; Jordan, Nicholas; Gilgenbach, Ronald; Lau, Y. Y.

2014-10-01

The electrothermal instability (ETI) is an important early-time physical effect on pulsed power foil ablation experiments due to its ability to seed the destructive magneto-Rayleigh-Taylor (MRT) instability. ETI occurs whenever electrical resistivity has temperature dependence; when resistivity increases with temperature, as with solid metal liners or foils, ETI forms striation structures perpendicular to current flow. These striations provide an initial perturbation for the MRT instability, which is the dominant late-time instability in planar foil ablations. The MAIZE linear transformer driver was used to drive current pulses of approximately 600 kA into 400 nm-thick aluminum foils in order to study ETI in planar geometry. Shadowgraph images of the aluminum plasmas were taken for multiple shots at various times within approximately 50 ns of current start. Fourier analysis extracted the approximate wavelengths of the instability structures on the plasma-vacuum interface. Surface metrology of pre-shot foils was performed to provide a comparison between surface roughness features and resulting plasma structure. This work was supported by US DoE. S.G. Patel and A.M. Steiner supported by NPSC funded by Sandia. D.A. Yager supported by NSF fellowship Grant # DGE 1256260.

Interaction of Diuron and Related Substituted Phenylureas with the Ah Receptor Pathway

PubMed Central

Zhao, Bin; Baston, David S.; Hammock, Bruce; Denison, Michael S.

2011-01-01

The aryl hydrocarbon receptor (AhR) is a ligand-dependent transcription factor that mediates many of the biological and toxicological actions of structurally diverse chemicals, including the ubiquitous environmental contaminant 2,3,7,8-tetrachlorodibenzo-p-dioxin. Here, we have examined the ability of diuron, a widely used herbicide, and several structurally related substituted phenylureas to bind to and activate/inhibit the AhR and AhR signal transduction. Diuron induced CYP1A1 mRNA levels in mouse hepatoma (Hepa1c1c7) cells and AhR-dependent luciferase reporter gene expression in stably transfected mouse, rat, guinea pig, and human cell lines. In addition, ligand binding and gel retardation analysis demonstrated the ability of diuron to competitively bind to and stimulate AhR transformation and DNA binding in vitro and in intact cells. Several structurally related substituted phenylureas competitively bound to the guinea pig hepatic cytosolic AhR, inhibited 2,3,7,8-tetrachlorodibenzo-p-dioxin-induced AhR-dependent luciferase reporter gene expression in a species-specific manner and stimulated AhR transformation and DNA binding, consistent with their role as partial AhR agonists. These results demonstrate not only that diuron and related substituted phenylureas are AhR ligands but also that exposure to these chemicals could induce/inhibit AhR-dependent biological effects. PMID:16788953

Reduced conservatism in stability robustness bounds by state transformation

NASA Technical Reports Server (NTRS)

Yedavalli, R. K.; Liang, Z.

1986-01-01

This note addresses the issue of 'conservatism' in the time domain stability robustness bounds obtained by the Liapunov approach. A state transformation is employed to improve the upper bounds on the linear time-varying perturbation of an asymptotically stable linear time-invariant system for robust stability. This improvement is due to the variance of the conservatism of the Liapunov approach with respect to the basis of the vector space in which the Liapunov function is constructed. Improved bounds are obtained, using a transformation, on elemental and vector norms of perturbations (i.e., structured perturbations) as well as on a matrix norm of perturbations (i.e., unstructured perturbations). For the case of a diagonal transformation, an algorithm is proposed to find the 'optimal' transformation. Several examples are presented to illustrate the proposed analysis.

A single-cell correlative nanoelectromechanosensing approach to detect cancerous transformation: monitoring the function of F-actin microfilaments in the modulation of the ion channel activity

NASA Astrophysics Data System (ADS)

AbdolahadThe Authors With Same Contributions., Mohammad; Saeidi, Ali; Janmaleki, Mohsen; Mashinchian, Omid; Taghinejad, Mohammad; Taghinejad, Hossein; Azimi, Soheil; Mahmoudi, Morteza; Mohajerzadeh, Shams

2015-01-01

Cancerous transformation may be dependent on correlation between electrical disruptions in the cell membrane and mechanical disruptions of cytoskeleton structures. Silicon nanotube (SiNT)-based electrical probes, as ultra-accurate signal recorders with subcellular resolution, may create many opportunities for fundamental biological research and biomedical applications. Here, we used this technology to electrically monitor cellular mechanosensing. The SiNT probe was combined with an electrically activated glass micropipette aspiration system to achieve a new cancer diagnostic technique that is based on real-time correlation between mechanical and electrical behaviour of single cells. Our studies demonstrated marked changes in the electrical response following increases in the mechanical aspiration force in healthy cells. In contrast, such responses were extremely weak for malignant cells. Confocal microscopy results showed the impact of actin microfilament remodelling on the reduction of the electrical response for aspirated cancer cells due to the significant role of actin in modulating the ion channel activity in the cell membrane.Cancerous transformation may be dependent on correlation between electrical disruptions in the cell membrane and mechanical disruptions of cytoskeleton structures. Silicon nanotube (SiNT)-based electrical probes, as ultra-accurate signal recorders with subcellular resolution, may create many opportunities for fundamental biological research and biomedical applications. Here, we used this technology to electrically monitor cellular mechanosensing. The SiNT probe was combined with an electrically activated glass micropipette aspiration system to achieve a new cancer diagnostic technique that is based on real-time correlation between mechanical and electrical behaviour of single cells. Our studies demonstrated marked changes in the electrical response following increases in the mechanical aspiration force in healthy cells. In contrast, such responses were extremely weak for malignant cells. Confocal microscopy results showed the impact of actin microfilament remodelling on the reduction of the electrical response for aspirated cancer cells due to the significant role of actin in modulating the ion channel activity in the cell membrane. Electronic supplementary information (ESI) available. See DOI: 10.1039/c4nr06102k

Simulation of Structural Transformations in Heating of Alloy Steel

NASA Astrophysics Data System (ADS)

Kurkin, A. S.; Makarov, E. L.; Kurkin, A. B.; Rubtsov, D. E.; Rubtsov, M. E.

2017-07-01

Amathematical model for computer simulation of structural transformations in an alloy steel under the conditions of the thermal cycle of multipass welding is presented. The austenitic transformation under the heating and the processes of decomposition of bainite and martensite under repeated heating are considered. Amethod for determining the necessary temperature-time parameters of the model from the chemical composition of the steel is described. Published data are processed and the results used to derive regression models of the temperature ranges and parameters of transformation kinetics of alloy steels. The method developed is used in computer simulation of the process of multipass welding of pipes by the finite-element method.

Physical and chemical stability of marine lipid-based liposomes under acid conditions.

PubMed

Nacka, F; Cansell, M; Gouygou, J P.; Gerbeaud, C; Méléard, P; Entressangles, B

2001-03-01

Liposomes made from a marine lipid extract containing a high polyunsaturated fatty lipid ratio were submitted to large pH variations, ranging from 1 to 8. Shape transformations were followed by video microscopy using giant liposomes and micromanipulation experiments. Acidification induced a decrease of the vesicle size simultaneous to the appearance of invaginations. These pH-dependent structural rearrangements were interpreted in terms of osmotic shocks and chemical modifications of the membranes. Liposomes produced by direct filtration were studied using turbidity measurements and optical microscopy observations. A low pH led to an instantaneous vesicle aggregation and to complex supramolecular and/or morphological changes as a function of time. The subsequent buffer neutralization of the liposome suspensions induced a partial reversion of the aggregation phenomenon while the structural membrane rearrangements were persisting. Furthermore, weak chemical degradations (oxidation and hydrolysis) were evidenced when the vesicles were incubated at low pH up to a 24-h incubation time. Thus, although acidification revealed liposome size and shape changes, the bilayer structure was maintained indicating that marine lipid-based liposomes could be used as oral administration vectors.

Modeling of Microstructure Evolution During the Thermomechanical Processing of Titanium Alloys (Preprint)

DTIC Science & Technology

2008-07-01

Tailoring the Properties of Aluminum and Titanium Alloys", Deformation, Processing, and Structure , G. Krauss, ed., ASM International, Materials Park, OH...1984, pp. 279-354. 51. G.W. Kuhlman, "A Critical Appraisal of Thermomechanical Processing of Structural Titanium Alloys", Microstructure/ Property ... titanium alloys is heavily dependent on the allotropic transformation from a hexagonal-close-packed crystal structure (denoted as alpha phase) found at

Pressure-induced transformations in amorphous silicon: A computational study

NASA Astrophysics Data System (ADS)

Garcez, K. M. S.; Antonelli, A.

2014-02-01

We study the transformations between amorphous phases of Si through molecular simulations using the environment dependent interatomic potential (EDIP) for Si. Our results show that upon pressure, the material undergoes a transformation from the low density amorphous (LDA) Si to the high density amorphous (HDA) Si. This transformation can be reversed by decompressing the material. This process, however, exhibits clear hysteresis, suggesting that the transformation LDA ↔ HDA is first-order like. The HDA phase is predominantly five-fold coordinated, whereas the LDA phase is the normal tetrahedrally bonded amorphous Si. The HDA phase at 400 K and 20 GPa was submitted to an isobaric annealing up to 800 K, resulting in a denser amorphous phase, which is structurally distinct from the HDA phase. Our results also show that the atomic volume and structure of this new amorphous phase are identical to those of the glass obtained by an isobaric quenching of the liquid in equilibrium at 2000 K and 20 GPa down to 400 K. The similarities between our results and those for amorphous ices suggest that this new phase is the very high density amorphous Si.

Structural phase transitions and time-resolved dynamics of solid-supported interfacial methanol observed by reflection electron diffraction

NASA Astrophysics Data System (ADS)

Yang, Ding-Shyue; He, Xing; Wu, Chengyi

Due to their large scattering cross sections with matter, electrons are suitable for contactless probing of solid-supported surface assemblies, especially in a reflection geometry. Direct visualization of assembly structures through electron diffraction further enables studies of ultrafast structural dynamics through the pump-probe scheme as well as discoveries of hidden phase changes in equilibrium that have been obscure in spectroscopic measurements. In this presentation, we report our first observation of unique two-stage transformations of interfacial methanol on smooth hydrophobic surfaces. The finding may reconcile the inconsistent previous reports of the crystallization temperature using various indirect methods. Dynamically, energy transfer across a solid-molecule interface following photoexcitation of the substrate is found to be highly dependent on the structure of interfacial methanol. If it is only 2-dimensionally ordered, as the film thickness increases, a prolonged time in the decrease of diffraction intensity is seen, signifying an inefficient vibrational coupling in the surface normal direction. Implications of the dynamics results and an outlook of interfacial studies using time-resolved and averaged electron diffraction will be discussed. We gratefully acknowledge the support from the R. A. Welch Foundation (Grant No. E-1860), the Donors of the American Chemical Society Petroleum Research Fund (ACS-PRF), and the University of Houston.

Plant-based Food and Feed Protein Structure Changes Induced by Gene-transformation heating and bio-ethanol processing: A Synchrotron-based Molecular Structure and Nutrition Research Program

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

P Yu

Unlike traditional 'wet' analytical methods which during processing for analysis often result in destruction or alteration of the intrinsic protein structures, advanced synchrotron radiation-based Fourier transform infrared microspectroscopy has been developed as a rapid and nondestructive and bioanalytical technique. This cutting-edge synchrotron-based bioanalytical technology, taking advantages of synchrotron light brightness (million times brighter than sun), is capable of exploring the molecular chemistry or structure of a biological tissue without destruction inherent structures at ultra-spatial resolutions. In this article, a novel approach is introduced to show the potential of the advanced synchrotron-based analytical technology, which can be used to study plant-basedmore » food or feed protein molecular structure in relation to nutrient utilization and availability. Recent progress was reported on using synchrotron-based bioanalytical technique synchrotron radiation-based Fourier transform infrared microspectroscopy and diffused reflectance infrared Fourier transform spectroscopy to detect the effects of gene-transformation (Application 1), autoclaving (Application 2), and bio-ethanol processing (Application 3) on plant-based food and feed protein structure changes on a molecular basis. The synchrotron-based technology provides a new approach for plant-based protein structure research at ultra-spatial resolutions at cellular and molecular levels.« less

Ion-beam-induced magnetic and structural phase transformation of Ni-stabilized face-centered-cubic Fe films on Cu(100)

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

Gloss, Jonas; Institute of Physical Engineering, Faculty of Mechanical Engineering, Brno University of Technology, Technická 2, 616 69 Brno; Shah Zaman, Sameena

2013-12-23

Metastable face-centered cubic (fcc) Fe/Cu(100) thin films are good candidates for ion-beam magnetic patterning due to their magnetic transformation upon ion-beam irradiation. However, pure fcc Fe films undergo spontaneous transformation when their thickness exceeds 10 ML. This limit can be extended to approximately 22 ML by deposition of Fe at increased CO background pressures. We show that much thicker films can be grown by alloying with Ni for stabilizing the fcc γ phase. The amount of Ni necessary to stabilize nonmagnetic, transformable fcc Fe films in dependence on the residual background pressure during the deposition is determined and a phasemore » diagram revealing the transformable region is presented.« less

Visualization of anisotropic-isotropic phase transformation dynamics in battery electrode particles

DOE PAGES

Wang, Jiajun; Karen Chen-Wiegart, Yu-chen; Eng, Christopher; ...

2016-08-12

Anisotropy, or alternatively, isotropy of phase transformations extensively exist in a number of solid-state materials, with performance depending on the three-dimensional transformation features. Fundamental insights into internal chemical phase evolution allow manipulating materials with desired functionalities, and can be developed via real-time multi-dimensional imaging methods. In this paper, we report a five-dimensional imaging method to track phase transformation as a function of charging time in individual lithium iron phosphate battery cathode particles during delithiation. The electrochemically driven phase transformation is initially anisotropic with a preferred boundary migration direction, but becomes isotropic as delithiation proceeds further. We also observe the expectedmore » two-phase coexistence throughout the entire charging process. Finally, we expect this five-dimensional imaging method to be broadly applicable to problems in energy, materials, environmental and life sciences.« less

Diagenetic Microcrystalline Opal Varieties from the Monterey Formation, CA: HRTEM Study of Structures and Phase Transformation Mechanisms

NASA Technical Reports Server (NTRS)

Cady, Sherry L.; Wenk, H.-R.; DeVincenzi, Don (Technical Monitor)

1994-01-01

Microcrystalline opal varieties form as intermediary precipitates during the diagenetic transformation of biogenically precipitated non-crystalline opal (opal-A) to microquartz. With regard to the Monterey Formation of California, X-ray powder diffraction studies have shown that a decrease in the primary d-spacing of opal-CT toward that of cristobalite occurs with increasing diagenesis. The initial timing of opal-CT/quartz formation and the value of the primary opal-CT d-spacing, are influenced by the sediment. lithology. Transmission electron microscopy methods (CTEM/HRTEM) were used to investigate the structure of the diagenetic phases and establish transformation mechanisms between the varieties of microcrystalline opals in charts and porcelanites from the Monterey Formation. HRTEM images revealed that the most common fibrous varieties of microcrystalline opals contain varying amounts of structural disorder. Finite lamellar units of cristobalite-and tridymite-type. layer sequences were found to be randomly stacked in a direction perpendicular to the fiber axis. Disordered and ordered fibers were found to have coprecipitated within the same radial fiber bundles that formed within the matrix of the Most siliceous samples. HRTEM images, which reveal that the fibers within radial and lepispheric fiber bundles branch non-crystallographically, support an earlier proposal that microspheres in chert grow via a spherulitic growth mechanism. A less common variety of opal-CT was found to be characterized by non-parallel (low-angle) stacking sequences that often contain twinned lamellae. Tabular-shaped crystals of orthorhombic tridymite (PO-2) were also identified in the porcelanite samples. A shift in the primary d-spacing of opal-CT has been interpreted as an indication of solid-state ordering g toward a predominantly cristobalite structure, (opal-C). Domains of opal-C were identified as topotactically-oriented overgrowths on discrete Sections of opal-CT fibers and as lamellar domains within relict opal-CT fibers. These findings indicate that the type of transformation mechanism depends upon the primary structural characteristics of the authigenic opaline. varieties that are in turn influenced by the sediment lithology.

Designing for time-dependent material response in spacecraft structures

NASA Technical Reports Server (NTRS)

Hyer, M. W.; Oleksuk, Lynda L. S.; Bowles, D. E.

1992-01-01

To study the influence on overall deformations of the time-dependent constitutive properties of fiber-reinforced polymeric matrix composite materials being considered for use in orbiting precision segmented reflectors, simple sandwich beam models are developed. The beam models include layers representing the face sheets, the core, and the adhesive bonding of the face sheets to the core. A three-layer model lumps the adhesive layers with the face sheets or core, while a five-layer model considers the adhesive layers explicitly. The deformation response of the three-layer and five-layer sandwich beam models to a midspan point load is studied. This elementary loading leads to a simple analysis, and it is easy to create this loading in the laboratory. Using the correspondence principle of viscoelasticity, the models representing the elastic behavior of the two beams are transformed into time-dependent models. Representative cases of time-dependent material behavior for the facesheet material, the core material, and the adhesive are used to evaluate the influence of these constituents being time-dependent on the deformations of the beam. As an example of the results presented, if it assumed that, as a worst case, the polymer-dominated shear properties of the core behave as a Maxwell fluid such that under constant shear stress the shear strain increases by a factor of 10 in 20 years, then it is shown that the beam deflection increases by a factor of 1.4 during that time. In addition to quantitative conclusions, several assumptions are discussed which simplify the analyses for use with more complicated material models. Finally, it is shown that the simpler three-layer model suffices in many situations.

Kinetics of austenite-pearlite transformation in eutectoid carbon steel

NASA Astrophysics Data System (ADS)

Hawbolt, E. B.; Chau, B.; Brimacombe, J. K.

1983-09-01

The kinetics of the austenite-to-pearlite transformation have been measured under isothermal and continuous-cooling conditions on a eutectoid carbon (1080) steel using a diametral dilatometric technique. The isothermal transformation kinetics have been analyzed in terms of the Avrami Equation containing the two parameters n and b; the initiation of transformation was characterized by an empirically determined transformation-start time (tAv). The parameter n was found to be nearly constant; and neither n nor b was dependent on the cooling rate between T A1 and the test temperature. Continuous-cooling tests were performed with cooling rates ranging from 7.5 to 108 °C per second, and the initiation of transformation was determined. Comparison of this transformation-start time for different cooling rates with the measured slow cooling of a test coupon immersed in a salt bath indicates that, particularly at lower temperatures, the transformation in the traditional T-T-T test specimen may not be isothermal. The additivity rule was found to predict accurately the time taken, relative to tAv, to reach a given fraction of austenite transformed, even though there is some question that the isokinetic condition was met above 660 °C. However, the additivity rule does not hold for the pretransformation or incubation period, as originally proposed by Scheil, and seriously overestimates the incubation time. Application of the additivity rule to the prediction of transformation-finish time, based on transformation start at TA1, also leads to overestimates, but these are less serious. The isothermal parameters— n ( T), b ( T), and tAv ( T)—have been used to predict continuous-cooling transformation kinetics which are in close agreement with measurements at four cooling rates ranging from 7.5 to 64 °C per second.

Theoretical investigations on molecular structure, vibrational spectra, HOMO, LUMO, NBO analysis and hyperpolarizability calculations of thiophene-2-carbohydrazide.

PubMed

Balachandran, V; Janaki, A; Nataraj, A

2014-01-24

The Fourier-Transform infrared and Fourier-Transform Raman spectra of thiophene-2-carbohydrazide (TCH) was recorded in the region 4000-400 cm(-1) and 3500-100 cm(-1). Quantum chemical calculations of energies, geometrical structure and vibrational wavenumbers of TCH were carried out by DFT (B3LYP) method with 6-311++G(d,p) as basis set. The difference between the observed and scaled wavenumber values of most of the fundamentals is very small. Stability of the molecule arising from hyper conjugative interaction and charge delocalization has been analyzed using natural bond orbital (NBO) analysis. UV spectrum was measured in different solvent. The energy and oscillator strength are calculated by Time Dependant Density Functional Theory (TD-DFT) results. The calculated HOMO and LUMO energies also confirm that charge transfer occurs within the molecule. The complete assignments were performed on the basis of the potential energy distribution (PED) of vibrational modes, calculated with scaled quantum mechanics (SQM) method. Finally the theoretical FT-IR, FT-Raman, and UV spectra of the title molecule have also been constructed. Copyright © 2013 Elsevier B.V. All rights reserved.

Relativistic parameters of senescence.

PubMed

Stathatos, Marios A

2005-01-01

The laws of biochemistry and biology are governed by parameters whose description in mathematical formulas is based on the three-dimensional space. It is a fact, however, that the life span of a cell and its specific functions, though limited, can be extended or diminished depending on the genetic code but also, on the natural pressure of the environment. The plasticity exhibited by a cellular system has been attributed to the change of the three-dimensional structure of the cell, with time being a simple measure of this change. The model of biological relativity proposed here, considers time as a flexible fourth dimension that corresponds directly to the inertial status of the cells. Two types of clocks are defined: the relativistic biological clock (RBC) and the mechanical clock (MC). In contrast to the MCs that show the astrological reference time, the time shown by the RBCs delay because it depends on cellular activity. The maximum and the expected life span of the cells and/or the organisms can be therefore relied on time transformation. One of the most important factors that can affect time flow is the energy that is produced during metabolic work. Based on this observation, RBCs can be constructed following series of theoretical experiments in order to assess biological time and life span changes.

Energy Transformations of Soil Organic Matter in a Changing World

NASA Astrophysics Data System (ADS)

Herrmann, A. M.; Coucheney, E.; Grice, S. M.; Ritz, K.; Harris, J.

2011-12-01

The role of soils in governing the terrestrial carbon balance is acknowledged as being important but remains poorly understood within the context of climate change. Soils exchange energy with their surroundings and are therefore open systems thermodynamically, but little is known how energy transformations of decomposition processes are affected by temperature. Soil organic matter and the soil biomass can be conceptualised as analogous to the 'fuel' and 'biological engine' of the earth, respectively, and are pivotal in driving the belowground carbon cycle. Thermodynamic principles of soil organic matter decomposition were evaluated by means of isothermal microcalorimetry (TAM Air, TA Instruments, Sollentuna Sweden: (i) Mineral forest soils from the Flakaliden long-term nitrogen fertilisation experiment (Sweden) were amended with a range of different substrates representing structurally simple to complex, ecologically pertinent organic matter and heat signatures were determined at temperatures between 5 and 25°C. (ii) Thermodynamic and resource-use efficiencies of the biomass were determined in arable soils which received contrasting long-term management regimes with respect to organic matter and nitrogen since 1956. The work showed that (i) structurally labile components have higher activation energy and temperature dependence than structurally more complex organic components. This is, however, in contrast to the thermodynamic argument which suggests the opposite that reactions metabolising structurally complex, aromatic components have higher temperature dependence than reactions metabolising structurally more labile components. (ii) Microbial communities exposed to long-term stress by heavy metal and low pH were less thermodynamic efficient and showed a decrease in resource-use efficiency in comparison with conventional input regimes. Differences in efficiencies were mirrored in both the phenotypic and functional profiles of the communities. We will present our findings illustrating the capacity of isothermal microcalorimetry to evaluate temperature dependencies of soil organic matter decomposition, associated energy transformations and thermodynamic principles in soil ecosystems.

Bäcklund transformation, infinitely-many conservation laws, solitary and periodic waves of an extended (3 + 1)-dimensional Jimbo-Miwa equation with time-dependent coefficients

NASA Astrophysics Data System (ADS)

Deng, Gao-Fu; Gao, Yi-Tian; Gao, Xin-Yi

2018-07-01

In this paper, an extended (3+1)-dimensional Jimbo-Miwa equation with time-dependent coefficients is investigated, which comes from the second member of the Kadomtsev-Petviashvili hierarchy and is shown to be conditionally integrable. Bilinear form, Bäcklund transformation, Lax pair and infinitely-many conservation laws are derived via the binary Bell polynomials and symbolic computation. With the help of the bilinear form, one-, two- and three-soliton solutions are obtained via the Hirota method, one-periodic wave solutions are constructed via the Riemann theta function. Additionally, propagation and interaction of the solitons are investigated analytically and graphically, from which we find that the interaction between the solitons is elastic and the time-dependent coefficients can affect the soliton velocities, but the soliton amplitudes remain unchanged. One-periodic waves approach the one-solitary waves with the amplitudes vanishing and can be viewed as a superposition of the overlapping solitary waves, placed one period apart.

Applications of rigged Hilbert spaces in quantum mechanics and signal processing

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

Celeghini, E., E-mail: celeghini@fi.infn.it; Departamento de Física Teórica, Atómica y Óptica and IMUVA, Universidad de Valladolid, Paseo Belén 7, 47011 Valladolid; Gadella, M., E-mail: manuelgadella1@gmail.com

Simultaneous use of discrete and continuous bases in quantum systems is not possible in the context of Hilbert spaces, but only in the more general structure of rigged Hilbert spaces (RHS). In addition, the relevant operators in RHS (but not in Hilbert space) are a realization of elements of a Lie enveloping algebra and support representations of semigroups. We explicitly construct here basis dependent RHS of the line and half-line and relate them to the universal enveloping algebras of the Weyl-Heisenberg algebra and su(1, 1), respectively. The complete sub-structure of both RHS and of the operators acting on them ismore » obtained from their algebraic structures or from the related fractional Fourier transforms. This allows us to describe both quantum and signal processing states and their dynamics. Two relevant improvements are introduced: (i) new kinds of filters related to restrictions to subspaces and/or the elimination of high frequency fluctuations and (ii) an operatorial structure that, starting from fix objects, describes their time evolution.« less

Annealing Induced Re-crystallization in CH3NH3PbI3−xClx for High Performance Perovskite Solar Cells

PubMed Central

Yang, Yingguo; Feng, Shanglei; Li, Meng; Xu, Weidong; Yin, Guangzhi; Wang, Zhaokui; Sun, Baoquan; Gao, Xingyu

2017-01-01

Using poly(3,4-ethylenedioxythiophene):polystyrene sulfonate (PEDOT:PSS) as hole conductor, a series of inverted planar CH3NH3PbI3−xClx perovskite solar cells (PSCs) were fabricated based on perovskite annealed by an improved time-temperature dependent (TTD) procedure in a flowing nitrogen atmosphere for different time. Only after an optimum annealing time, an optimized power conversion efficiency of 14.36% could be achieved. To understand their performance dependence on annealing time, an in situ real-time synchrotron-based grazing incidence X-ray diffraction (GIXRD) was used to monitor a step-by-step gradual structure transformation from distinct mainly organic-inorganic hybrid materials into highly ordered CH3NH3PbI3 crystal during annealing. However, a re-crystallization process of perovskite crystal was observed for the first time during such an annealing procedure, which helps to enhance the perovskite crystallization and preferential orientations. The present GIXRD findings could well explain the drops of the open circuit voltage (Voc) and the fill factor (FF) during the ramping of temperature as well as the optimized power conversion efficiency achieved after an optimum annealing time. Thus, the present study not only illustrates clearly the decisive roles of post-annealing in the formation of solution-processed perovskite to better understand its formation mechanism, but also demonstrates the crucial dependences of device performance on the perovskite microstructure in PSCs. PMID:28429762

Practical application to time indicator of a novel white film formed by interaction of calcium salts with hydroxypropyl methylcellulose.

PubMed

Shiraishi, Sumihiro; Sakata, Yukoh; Yamaguchi, Hiroyuki

2010-01-04

We have found that a cast film forms a white film when an aqueous solution comprising hydroxypropyl methylcellulose (HPMC) and calcium salts such as calcium lactate pentahydrate (CLP) and calcium chloride (CaCl(2)) is used. In contrast, the obtained white film was transformed into a transparent film by the addition of purified water. The transformation time for the change from the white film to the transparent film was dependent on film thickness. The relationship between the transformation time and the film thickness was significantly correlated, and it was found that the white film could be adaptable as time indicator. The formation of a white film comprising HPMC and calcium salts was strongly dependent on temperature conditions. The objective of the present study is to investigate the mechanism of the formation of this white film because of the interaction between HPMC and calcium salts. The DSC and XRPD results indicate that the calcium salts affect the HPMC polymer phase in the cast film comprising HPMC and calcium salts. By carrying out attenuated total reflection Fourier transform infrared (ATR FT-IR) analysis, we found that the white film could be formed by the calcium salts affecting the region associated with the C-O-C, C-O, and CH(3) stretching of the HPMC polymer phase.

The Peculiarities of Structure Formation and Properties of Zirconia-Based Nanocomposites with Addition of Al2O3 and NiO

NASA Astrophysics Data System (ADS)

Danilenko, I.; Lasko, G.; Brykhanova, I.; Burkhovetski, V.; Ahkhozov, L.

2017-02-01

The present study is devoted to the problem of enhancing fracture toughness of ZrO2 ceramic materials through the formation of composite structure by addition of Al2O3 and NiO particles. In this paper, we analyzed the general and distinguished features of microstructure of both composite materials and its effect on fracture toughness of materials. In this paper, we used the XRD, SEM, and EDS methods for determination of granulometric, phase, and chemical composition of sintered materials. The peculiarities of dependence of fracture toughness values from dopant concentration and changing the Y3+ amount in zirconia grains allow us to assume that at least two mechanisms can affect the fracture toughness of ZrO2 ceramics. Crack bridging/deflection processes with the "transformation toughening" affect the K1C values depending on the dopant concentration. Crack deflection mechanism affects the K1C values when the dopant concentrations are low, and transformation toughening affects the K1C values when the dopant concentrations begin to have an impact on microstructure reorganization-redistribution of Y3+ ions and formation of Y3+-depleted grains with high ability to phase transformation.

Transformation of soil and vegetable conditions at oil production territories

NASA Astrophysics Data System (ADS)

Gatina, Evgeniia

2017-04-01

On the territory of modern oil production soil, vegetation, ecosystem conditions of the environment are significantly transformed. Researches have been conducted on the oil production territories located in a boreal coniferous forest natural zone from 2005 to 2015. Standard geobotanical and soil methods are used. Mechanical destruction of a plant cover, change of the water conditions, intake of oil products and salty waters in ecosystems, pollution of the atmosphere are considered as the major technology-related factors defining transformation of land ecosystems at operation of the oil field. Under the mechanical destruction of a plant cover the pioneer plant communities are formed. These communities are characterized by most reduced specific wealth with prevalence of types of meadow groups of plants and presence of types of wetland groups of plants. The biodiversity of biocenosis which are affected linear infrastructure facilities of oil production territories and change of the water conditions, decreases. It is observed decrease in species wealth, simplification of structure of communities. Under the salting of soils in ecosystems there is a decrease species diversity of communities to prevalence nitrophilous and meadow plant species. At the increased content of organic substances in the soils that is a consequence of intake of oil products, is characteristic increase in specific richness of communities, introduction of types of wetland and oligotrophic groups of plants in forest communities. Influence depends on distance to an influence source. In process of removal from a source of atmospheric pollution in forest communities there is a decrease in species diversity and complication of structure of community. It is caused by introduction of types of meadow groups of plants in ecotone sites of the forest communities located near a source of influence and restoration of structural features of forest communities in process of removal from an influence source. Operation of oil fields leads to introduction of the synanthropes relating to meadow and wetland groups of plants. Transformation depends on loading time. At the initial stage of operation of the oil field the synantropization of a plant cover leads to increase in species diversity. At long technogenic loading decrease in values of indexes of a biodiversity due to oppression of native species of plants is observed. Technology-related influence of oil fields is a regional factor of change of specific structure of plant communities. Modern oil production has to be followed by purposeful formation of the operated natural and technology-related ecosystems with adjustable parameters and higher stability in relation to a complex of technogenic oil-field influence.

Maximum likelihood estimation for semiparametric transformation models with interval-censored data

PubMed Central

Mao, Lu; Lin, D. Y.

2016-01-01

Abstract Interval censoring arises frequently in clinical, epidemiological, financial and sociological studies, where the event or failure of interest is known only to occur within an interval induced by periodic monitoring. We formulate the effects of potentially time-dependent covariates on the interval-censored failure time through a broad class of semiparametric transformation models that encompasses proportional hazards and proportional odds models. We consider nonparametric maximum likelihood estimation for this class of models with an arbitrary number of monitoring times for each subject. We devise an EM-type algorithm that converges stably, even in the presence of time-dependent covariates, and show that the estimators for the regression parameters are consistent, asymptotically normal, and asymptotically efficient with an easily estimated covariance matrix. Finally, we demonstrate the performance of our procedures through simulation studies and application to an HIV/AIDS study conducted in Thailand. PMID:27279656

In-situ nano-crystal-to-crystal transformation synthesis of energetic materials based on three 5,5′-azotetrazolate Cr(III) salts

PubMed Central

Miao, Yu; Qiu, Yanxuan; Cai, Jiawei; Wang, Zizhou; Yu, Xinwei; Dong, Wen

2016-01-01

The in-situ nano-crystal-to-crystal transformation (SCCT) synthesis provides a powerful approach for tailoring controllable feature shapes and sizes of nano crystals. In this work, three nitrogen-rich energetic nano-crystals based on 5,5′-azotetrazolate(AZT2−) Cr(III) salts were synthesized by means of SCCT methodology. SEM and TEM analyses show that the energetic nano-crystals feature a composition- and structure-dependent together with size-dependent thermal stability. Moreover, nano-scale decomposition products can be obtained above 500 °C, providing a new method for preparing metallic oxide nano materials. PMID:27869221

A Full Dynamic Compound Inverse Method for output-only element-level system identification and input estimation from earthquake response signals

NASA Astrophysics Data System (ADS)

Pioldi, Fabio; Rizzi, Egidio

2016-08-01

This paper proposes a new output-only element-level system identification and input estimation technique, towards the simultaneous identification of modal parameters, input excitation time history and structural features at the element-level by adopting earthquake-induced structural response signals. The method, named Full Dynamic Compound Inverse Method (FDCIM), releases strong assumptions of earlier element-level techniques, by working with a two-stage iterative algorithm. Jointly, a Statistical Average technique, a modification process and a parameter projection strategy are adopted at each stage to achieve stronger convergence for the identified estimates. The proposed method works in a deterministic way and is completely developed in State-Space form. Further, it does not require continuous- to discrete-time transformations and does not depend on initialization conditions. Synthetic earthquake-induced response signals from different shear-type buildings are generated to validate the implemented procedure, also with noise-corrupted cases. The achieved results provide a necessary condition to demonstrate the effectiveness of the proposed identification method.

In-situ visualization of stress-dependent bulk magnetic domain formation by neutron grating interferometry

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

Betz, B.; École Polytechnique Fédérale de Lausanne, NXMM Laboratory, IMX, CH-1015 Lausanne; Rauscher, P.

The performance and degree of efficiency of industrial transformers are directly influenced by the magnetic properties of high-permeability steel laminations (HPSLs). Industrial transformer cores are built of stacks of single HPSLs. While the insulating coating on each HPSL reduces eddy-current losses in the transformer core, the coating also induces favorable inter-granular tensile stresses that significantly influence the underlying magnetic domain structure. Here, we show that the neutron dark-field image can be used to analyze the influence of the coating on the volume and supplementary surface magnetic domain structures. To visualize the stress effect of the coating on the bulk domainmore » formation, we used an uncoated HPSL and stepwise increased the applied external tensile stress up to 20 MPa. We imaged the domain configuration of the intermediate stress states and were able to reproduce the original domain structure of the coated state. Furthermore, we were able to visualize how the applied stresses lead to a refinement of the volume domain structure and the suppression and reoccurrence of supplementary domains.« less

Alternative formulations of the Laplace transform boundary element (LTBE) numerical method for the solution of diffusion-type equations

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

Moridis, G.

1992-03-01

The Laplace Transform Boundary Element (LTBE) method is a recently introduced numerical method, and has been used for the solution of diffusion-type PDEs. It completely eliminates the time dependency of the problem and the need for time discretization, yielding solutions numerical in space and semi-analytical in time. In LTBE solutions are obtained in the Laplace spare, and are then inverted numerically to yield the solution in time. The Stehfest and the DeHoog formulations of LTBE, based on two different inversion algorithms, are investigated. Both formulations produce comparable, extremely accurate solutions.

Architectural and Urban Identity Transformation of Eskisehir - An Anatolian City

NASA Astrophysics Data System (ADS)

Kandemir, Ozlem

2017-10-01

City is the arena where we identify ourselves and interact with others and our environment; cities are epicentres of interaction, transition and fusion of different communities and their cultures. Thus, it is important to discuss the elements of change and their consequences in architectural - urban spaces and their products in the context of identity. Urban identity can be defined as the impression invoked on its inhabitants by the environmental, historical, sociocultural and spatial values. Both architectural and urban identity have a dynamic structure, susceptive to every change on both social and administrative structure. Both global and national economic fluctuations in the last decades and industrialisation throughout the 20th century caused dramatic and diverse changes in the conditions of life, consumption forms, the perception of time and space consequently transforming architecture and city. The changes in all the different aspects of the city life and structure with time cause transformation of architecture and urban identity. This dynamism caused by changes and new formations in the cultural life and environmental conditions also leads to transforming customs and the ways we occupy/use/live in a place. Consequently, these changes and new social norms that can transform the way we occupy a space and our demands from a place can be asserted. All new requirements caused by these new conditions of urban life transform the existing architecture and spaces. In this presentation, the transformation of the architectural and urban identity of Eskisehir will be discussed through its dynamics like architectural and urban transformation, industry and politics.

Relativistic transformation between τ and TCG for Mars missions under IAU Resolutions

NASA Astrophysics Data System (ADS)

Pan, Jun-Yang; Xie, Yi

2014-02-01

Considering the fact that the general theory of relativity has become an inextricable part of deep space missions, we investigate the relativistic transformation between the proper time of an onboard clock τ and the Geocentric Coordinate Time (TCG) for Mars missions. By connecting τ with this local timescale associated with the Earth, we extend previous works which focus on the transformation between τ and the Barycentric Coordinate Time (TCB). (TCB is the global coordinate time for the whole solar system.) For practical convenience, the relation between τ and TCG is recast to directly depend on quantities which can be read from ephemerides. We find that the difference between τ and TCG can reach the level of about 0.2 seconds in a year. To distinguish various sources in the transformation, we numerically calculate the contributions caused by the Sun, eight planets, three large asteroids and the spacecraft. It is found that if the threshold of 1 microsecond is adopted, this transformation must include effects due to the Sun, Venus, the Moon, Mars, Jupiter, Saturn and the velocities of the spacecraft and Earth.

Structural phase transition of as-synthesized Sr-Mn nanoferrites by annealing temperature

NASA Astrophysics Data System (ADS)

Amer, M. A.; Meaz, T. M.; Attalah, S. S.; Ghoneim, A. I.

2015-11-01

The Sr0.2Mn0.8Fe2O4 nanoparticle ferrites were synthesized by the co-precipitation method and annealed at different temperatures T. XRD, TEM, FT-IR, VSM and Mössbauer techniques were used to characterize the samples. This study proved that the structural phase of nanoferrites was transformed from cubic spinel for T≤500 °C to Z-type hexagonal for T≥700 °C. The structural transformation was attributed to Jahn-Teller effect of the Mn3+ ions and/or atomic disorder existed in the crystal lattice. The obtained spectra and parameters for the samples were affected by the transformation process. The lattice constant a showed a splitting to a and c for T>500 °C. The lattice constant c, grain and crystallite size R, strain, octahedral B-site band position and force constant, Debye temperature, coercivity Hc, remnant magnetization, squareness and magnetic moment, spontaneous magnetization and hyperfine magnetic fields showed increase against T. The lattice constant a, distortion and dislocation parameters, specific surface area, tetrahedral A-site band position and force constant, threshold frequency, Young's and bulk moduli, saturation magnetization Ms, area ratio of B-/A-sites, A-site line width were decreased with T. Experimental and theoretical densities, porosity, Poison ratio, stiffness constants, rigidity modulus, B-site line width and spontaneous magnetization showed dependence on T, whereas Ms and Hc proved dependence on R.

Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory.

PubMed

Giesbertz, K J H

2015-08-07

A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classification of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classification of the non-uniqueness of the non-local potential in 1RDM functional theory can be given for the first time.

Unified transform architecture for AVC, AVS, VC-1 and HEVC high-performance codecs

NASA Astrophysics Data System (ADS)

Dias, Tiago; Roma, Nuno; Sousa, Leonel

2014-12-01

A unified architecture for fast and efficient computation of the set of two-dimensional (2-D) transforms adopted by the most recent state-of-the-art digital video standards is presented in this paper. Contrasting to other designs with similar functionality, the presented architecture is supported on a scalable, modular and completely configurable processing structure. This flexible structure not only allows to easily reconfigure the architecture to support different transform kernels, but it also permits its resizing to efficiently support transforms of different orders (e.g. order-4, order-8, order-16 and order-32). Consequently, not only is it highly suitable to realize high-performance multi-standard transform cores, but it also offers highly efficient implementations of specialized processing structures addressing only a reduced subset of transforms that are used by a specific video standard. The experimental results that were obtained by prototyping several configurations of this processing structure in a Xilinx Virtex-7 FPGA show the superior performance and hardware efficiency levels provided by the proposed unified architecture for the implementation of transform cores for the Advanced Video Coding (AVC), Audio Video coding Standard (AVS), VC-1 and High Efficiency Video Coding (HEVC) standards. In addition, such results also demonstrate the ability of this processing structure to realize multi-standard transform cores supporting all the standards mentioned above and that are capable of processing the 8k Ultra High Definition Television (UHDTV) video format (7,680 × 4,320 at 30 fps) in real time.

Time-dependent structural transformation analysis to high-level Petri net model with active state transition diagram

PubMed Central

2010-01-01

Background With an accumulation of in silico data obtained by simulating large-scale biological networks, a new interest of research is emerging for elucidating how living organism functions over time in cells. Investigating the dynamic features of current computational models promises a deeper understanding of complex cellular processes. This leads us to develop a method that utilizes structural properties of the model over all simulation time steps. Further, user-friendly overviews of dynamic behaviors can be considered to provide a great help in understanding the variations of system mechanisms. Results We propose a novel method for constructing and analyzing a so-called active state transition diagram (ASTD) by using time-course simulation data of a high-level Petri net. Our method includes two new algorithms. The first algorithm extracts a series of subnets (called temporal subnets) reflecting biological components contributing to the dynamics, while retaining positive mathematical qualities. The second one creates an ASTD composed of unique temporal subnets. ASTD provides users with concise information allowing them to grasp and trace how a key regulatory subnet and/or a network changes with time. The applicability of our method is demonstrated by the analysis of the underlying model for circadian rhythms in Drosophila. Conclusions Building ASTD is a useful means to convert a hybrid model dealing with discrete, continuous and more complicated events to finite time-dependent states. Based on ASTD, various analytical approaches can be applied to obtain new insights into not only systematic mechanisms but also dynamics. PMID:20356411

Fast algorithms for transforming back and forth between a signed permutation and its equivalent simple permutation.

PubMed

Gog, Simon; Bader, Martin

2008-10-01

The problem of sorting signed permutations by reversals is a well-studied problem in computational biology. The first polynomial time algorithm was presented by Hannenhalli and Pevzner in 1995. The algorithm was improved several times, and nowadays the most efficient algorithm has a subquadratic running time. Simple permutations played an important role in the development of these algorithms. Although the latest result of Tannier et al. does not require simple permutations, the preliminary version of their algorithm as well as the first polynomial time algorithm of Hannenhalli and Pevzner use the structure of simple permutations. More precisely, the latter algorithms require a precomputation that transforms a permutation into an equivalent simple permutation. To the best of our knowledge, all published algorithms for this transformation have at least a quadratic running time. For further investigations on genome rearrangement problems, the existence of a fast algorithm for the transformation could be crucial. Another important task is the back transformation, i.e. if we have a sorting on the simple permutation, transform it into a sorting on the original permutation. Again, the naive approach results in an algorithm with quadratic running time. In this paper, we present a linear time algorithm for transforming a permutation into an equivalent simple permutation, and an O(n log n) algorithm for the back transformation of the sorting sequence.

Chirp-Z analysis for sol-gel transition monitoring.

PubMed

Martinez, Loïc; Caplain, Emmanuel; Serfaty, Stéphane; Griesmar, Pascal; Gouedard, Gérard; Gindre, Marcel

2004-04-01

Gelation is a complex reaction that transforms a liquid medium into a solid one: the gel. In gel state, some gel materials (DMAP) have the singular property to ring in an audible frequency range when a pulse is applied. Before the gelation point, there is no transmission of slow waves observed; after the gelation point, the speed of sound in the gel rapidly increases from 0.1 to 10 m/s. The time evolution of the speed of sound can be measured, in frequency domain, by following the frequency spacing of the resonance peaks from the Synchronous Detection (SD) measurement method. Unfortunately, due to a constant frequency sampling rate, the relative error for low speeds (0.1 m/s) is 100%. In order to maintain a low constant relative error, in the whole speed time evolution range, Chirp-Z Transform (CZT) is used. This operation transforms a time variant signal to a time invariant one using only a time dependant stretching factor (S). In the frequency domain, the CZT enables us to stretch each collected spectrum from time signals. The blind identification of the S factor gives us the complete time evolution law of the speed of sound. Moreover, this method proves that the frequency bandwidth follows the same time law. These results point out that the minimum wavelength stays constant and that it only depends on the gel.

Predicting Shear Transformation Events in Metallic Glasses

NASA Astrophysics Data System (ADS)

Xu, Bin; Falk, Michael L.; Li, J. F.; Kong, L. T.

2018-03-01

Shear transformation is the elementary process for plastic deformation of metallic glasses, the prediction of the occurrence of the shear transformation events is therefore of vital importance to understand the mechanical behavior of metallic glasses. In this Letter, from the view of the potential energy landscape, we find that the protocol-dependent behavior of shear transformation is governed by the stress gradient along its minimum energy path and we propose a framework as well as an atomistic approach to predict the triggering strains, locations, and structural transformations of the shear transformation events under different shear protocols in metallic glasses. Verification with a model Cu64 Zr36 metallic glass reveals that the prediction agrees well with athermal quasistatic shear simulations. The proposed framework is believed to provide an important tool for developing a quantitative understanding of the deformation processes that control mechanical behavior of metallic glasses.

Aerobic activated sludge transformation of vincristine and identification of the transformation products.

PubMed

Kosjek, Tina; Negreira, Noelia; Heath, Ester; López de Alda, Miren; Barceló, Damià

2018-01-01

This study aims to identify (bio)transformation products of vincristine, a plant alkaloid chemotherapy drug. A batch biotransformation experiment was set-up using activated sludge at two concentration levels with and without the addition of a carbon source. Sample analysis was performed on an ultra-high performance liquid chromatograph coupled to a high-resolution hybrid quadrupole-Orbitrap tandem mass spectrometer. To identify molecular ions of vincristine transformation products and to propose molecular and chemical structures, we performed data-dependent acquisition experiments combining full-scan mass spectrometry data with product ion spectra. In addition, the use of non-commercial detection and prediction algorithms such as MZmine 2 and EAWAG-BBD Pathway Prediction System, was proven to be proficient for screening for transformation products in complex wastewater matrix total ion chromatograms. In this study eleven vincristine transformation products were detected, nine of which were tentatively identified. Copyright © 2017 Elsevier B.V. All rights reserved.

Predicting Shear Transformation Events in Metallic Glasses.

PubMed

Xu, Bin; Falk, Michael L; Li, J F; Kong, L T

2018-03-23

Shear transformation is the elementary process for plastic deformation of metallic glasses, the prediction of the occurrence of the shear transformation events is therefore of vital importance to understand the mechanical behavior of metallic glasses. In this Letter, from the view of the potential energy landscape, we find that the protocol-dependent behavior of shear transformation is governed by the stress gradient along its minimum energy path and we propose a framework as well as an atomistic approach to predict the triggering strains, locations, and structural transformations of the shear transformation events under different shear protocols in metallic glasses. Verification with a model Cu_{64}Zr_{36} metallic glass reveals that the prediction agrees well with athermal quasistatic shear simulations. The proposed framework is believed to provide an important tool for developing a quantitative understanding of the deformation processes that control mechanical behavior of metallic glasses.

Age-dependent seizures of absence epilepsy and sleep spindles dynamics in WAG/Rij rats

NASA Astrophysics Data System (ADS)

Grubov, Vadim V.; Sitnikova, Evgenia Y.; Pavlov, Alexey N.; Khramova, Marina V.; Koronovskii, Alexey A.; Hramov, Alexander E.

2015-03-01

In the given paper, a relation between time-frequency characteristics of sleep spindles and the age-dependent epileptic activity in WAG/Rij rats is discussed. Analysis of sleep spindles based on the continuous wavelet transform is performed for rats of different ages. It is shown that the epileptic activity affects the time-frequency intrinsic dynamics of sleep spindles.

Nonreciprocity in the dynamics of coupled oscillators with nonlinearity, asymmetry, and scale hierarchy

NASA Astrophysics Data System (ADS)

Moore, Keegan J.; Bunyan, Jonathan; Tawfick, Sameh; Gendelman, Oleg V.; Li, Shuangbao; Leamy, Michael; Vakakis, Alexander F.

2018-01-01

In linear time-invariant dynamical and acoustical systems, reciprocity holds by the Onsager-Casimir principle of microscopic reversibility, and this can be broken only by odd external biases, nonlinearities, or time-dependent properties. A concept is proposed in this work for breaking dynamic reciprocity based on irreversible nonlinear energy transfers from large to small scales in a system with nonlinear hierarchical internal structure, asymmetry, and intentional strong stiffness nonlinearity. The resulting nonreciprocal large-to-small scale energy transfers mimic analogous nonlinear energy transfer cascades that occur in nature (e.g., in turbulent flows), and are caused by the strong frequency-energy dependence of the essentially nonlinear small-scale components of the system considered. The theoretical part of this work is mainly based on action-angle transformations, followed by direct numerical simulations of the resulting system of nonlinear coupled oscillators. The experimental part considers a system with two scales—a linear large-scale oscillator coupled to a small scale by a nonlinear spring—and validates the theoretical findings demonstrating nonreciprocal large-to-small scale energy transfer. The proposed study promotes a paradigm for designing nonreciprocal acoustic materials harnessing strong nonlinearity, which in a future application will be implemented in designing lattices incorporating nonlinear hierarchical internal structures, asymmetry, and scale mixing.

Images, Ideals and Constraints in Times of Neoliberal Transformations: Reproduction and Profession as Conflicting or Complementary Spheres in Academia?

ERIC Educational Resources Information Center

Bomert, Christiane; Leinfellner, Stefanie

2017-01-01

The article deals with structural, cultural and habitual concepts, principles and ideals of parenthood in the German academic working context. It focuses on social processes of transformation and reconfiguration of reproduction and profession, which means within work and family spheres and especially within academia in times of neoliberalism,…

The Transformation of an Online Learning Community from an Organised Facility to an Organic Fraternity

ERIC Educational Resources Information Center

Fields, Alison; Lai, Kwok-Wing; Gibbs, John; Kirk, Alex; Vermunt, Jenny

2016-01-01

An online community of learning within a distance doctoral programme was explored to determine if and how the community evolved and transformed over time. This part-time doctoral programme gathers students into cohorts and runs a structured community with students and faculty for 18 months before students confirm candidatures and begin individual…

Relativistic chaos is coordinate invariant.

PubMed

Motter, Adilson E

2003-12-05

The noninvariance of Lyapunov exponents in general relativity has led to the conclusion that chaos depends on the choice of the space-time coordinates. Strikingly, we uncover the transformation laws of Lyapunov exponents under general space-time transformations and we find that chaos, as characterized by positive Lyapunov exponents, is coordinate invariant. As a result, the previous conclusion regarding the noninvariance of chaos in cosmology, a major claim about chaos in general relativity, necessarily involves the violation of hypotheses required for a proper definition of the Lyapunov exponents.

Transforming graphene nanoribbons into nanotubes by use of point defects.

PubMed

Sgouros, A; Sigalas, M M; Papagelis, K; Kalosakas, G

2014-03-26

Using molecular dynamics simulations with semi-empirical potentials, we demonstrate a method to fabricate carbon nanotubes (CNTs) from graphene nanoribbons (GNRs), by periodically inserting appropriate structural defects into the GNR crystal structure. We have found that various defect types initiate the bending of GNRs and eventually lead to the formation of CNTs. All kinds of carbon nanotubes (armchair, zigzag, chiral) can be produced with this method. The structural characteristics of the resulting CNTs, and the dependence on the different type and distribution of the defects, were examined. The smallest (largest) CNT obtained had a diameter of ∼ 5 Å (∼ 39 Å). Proper manipulation of ribbon edges controls the chirality of the CNTs formed. Finally, the effect of randomly distributed defects on the ability of GNRs to transform into CNTs is considered.

Transformation by oncogenic mutants and ligand-dependent activation of FLT3 wild-type requires the tyrosine residues 589 and 591.

PubMed

Vempati, Sridhar; Reindl, Carola; Wolf, Ulla; Kern, Ruth; Petropoulos, Konstantin; Naidu, Vegi M; Buske, Christian; Hiddemann, Wolfgang; Kohl, Tobias M; Spiekermann, Karsten

2008-07-15

Mutations in the receptor tyrosine kinase FLT3 are found in up to 30% of acute myelogenous leukemia patients and are associated with an inferior prognosis. In this study, we characterized critical tyrosine residues responsible for the transforming potential of active FLT3-receptor mutants and ligand-dependent activation of FLT3-WT. We performed a detailed structure-function analysis of putative autophosphorylation tyrosine residues in the FLT3-D835Y tyrosine kinase domain (TKD) mutant. All tyrosine residues in the juxtamembrane domain (Y566, Y572, Y589, Y591, Y597, and Y599), interkinase domain (Y726 and Y768), and COOH-terminal domain (Y955 and Y969) of the FLT3-D835Y construct were successively mutated to phenylalanine and the transforming activity of these mutants was analyzed in interleukin-3-dependent Ba/F3 cells. Tyrosine residues critical for the transforming potential of FLT3-D835Y were also analyzed in FLT3 internal tandem duplication mutants (FLT3-ITD)and the FLT3 wild-type (FLT3-WT) receptor. The substitution of the tyrosine residues by phenylalanine in the juxtamembrane, interkinase, and COOH-terminal domains resulted in a complete loss of the transforming potential of FLT3-D835Y-expressing cells which can be attributed to a significant reduction of signal tranducer and activator of transcription 5 (STAT5) phosphorylation at the molecular level. Reintroduction of single tyrosine residues revealed the critical role of Y589 and Y591 in reconstituting interleukin-3-independent growth of FLT3-TKD-expressing cells. Combined mutation of Y589 and Y591 to phenylalanine also abrogated ligand-dependent proliferation of FLT3-WT and the transforming potential of FLT3-ITD-with a subsequent abrogation of STAT5 phosphorylation. We identified two tyrosine residues, Y589 and Y591, in the juxtamembrane domain that are critical for the ligand-dependent activation of FLT3-WT and the transforming potential of oncogenic FLT3 mutants.

Multifractal surrogate-data generation algorithm that preserves pointwise Hölder regularity structure, with initial applications to turbulence

NASA Astrophysics Data System (ADS)

Keylock, C. J.

2017-03-01

An algorithm is described that can generate random variants of a time series while preserving the probability distribution of original values and the pointwise Hölder regularity. Thus, it preserves the multifractal properties of the data. Our algorithm is similar in principle to well-known algorithms based on the preservation of the Fourier amplitude spectrum and original values of a time series. However, it is underpinned by a dual-tree complex wavelet transform rather than a Fourier transform. Our method, which we term the iterated amplitude adjusted wavelet transform can be used to generate bootstrapped versions of multifractal data, and because it preserves the pointwise Hölder regularity but not the local Hölder regularity, it can be used to test hypotheses concerning the presence of oscillating singularities in a time series, an important feature of turbulence and econophysics data. Because the locations of the data values are randomized with respect to the multifractal structure, hypotheses about their mutual coupling can be tested, which is important for the velocity-intermittency structure of turbulence and self-regulating processes.

Influence of reaction time and synthesis temperature on the physical properties of ZnO nanoparticles synthesized by the hydrothermal method

NASA Astrophysics Data System (ADS)

Wasly, H. S.; El-Sadek, M. S. Abd; Henini, Mohamed

2018-01-01

Influence of synthesis temperature and reaction time on the structural and optical properties of ZnO nanoparticles synthesized by the hydrothermal method was investigated using X-ray diffraction (XRD), high resolution transmission electron microscopy (HR-TEM), energy-dispersive X-ray, Fourier transform infra-red spectroscopy, and UV-visible and fluorescence spectroscopy. The XRD pattern and HR-TEM images confirmed the presence of crystalline hexagonal wurtzite ZnO nanoparticles with average crystallite size in the range 30-40 nm. Their energy gap determined by fluorescence was found to depend on the synthesis temperature and reaction time with values in the range 2.90-3.78 eV. Thermal analysis, thermogravimetric and the differential scanning calorimetry were used to study the thermal reactions and weight loss with heat of the prepared ZnO nanoparticles.

A DACE study on a three stage metal forming process made of Sandvik Nanoflex™

NASA Astrophysics Data System (ADS)

Post, J.; Klaseboer, G.; Stinstra, E.; Huétink, J.

2004-06-01

Sandvik Nanoflex™ combines good corrosion resistance with high strength. The steel has good deformability in austenitic conditions. This material belongs to the group of metastable austenites, so during deformation a strain-induced transformation into martensite takes place. After deformation, the transformation continues as a result of internal residual stresses. Depending on the heat treatment, this stress-assisted transformation is more or less autocatalytic. Both transformations are stress-state, temperature and crystal orientation dependent. This article presents a constitutive model for this steel, based on the macroscopic material behaviour measured by inductive measurements. Both the stress-assisted and the strain-induced transformation to martensite are incorporated in this model. Path-dependent work hardening is also taken into account, together with the inheritance of the dislocations from one phase to the other. The model is implemented in an internal Philips code called CRYSTAL for doing simulations. A multi-stage metal forming process is simulated. The process consists of different forming steps with intervals between them to simulate the waiting time between the different metal forming steps. During the engineering process of a high precision metal formed product often questions arise about the relation between the scatter on the initial parameters, like standard deviation on the strip thickness, yield stress etc, and the product accuracy. This becomes even more complex if the material is: • instable, • the transformation rate depends on the stress state, which is related to friction, • the transformation rate depends on the temperature, which is related to deformation heat and the heat distribution during the entire process. A way to get more understanding in these phenomena in relation to the process is doing a process window study, using DACE (Design and Analysis of Computer Experiments). In this article an example is given how to make a DACE study on a a three stage metal forming process, using a distributed computing technique. The method is shown, together with some results. The problem is focused on the influence of the transformation rate, transformation plasticity and dilatation strain on the product accuracy.

Oceanic ridges and transform faults: Their intersection angles and resistance to plate motion

USGS Publications Warehouse

Lachenbruch, A.H.; Thompson, G.A.

1972-01-01

The persistent near-orthogonal pattern formed by oceanic ridges and transform faults defies explanation in terms of rigid plates because it probably depends on the energy associated with deformation. For passive spreading, it is likely that the ridges and transforms adjust to a configuration offering minimum resistance to plate separation. This leads to a simple geometric model which yields conditions for the occurrence of transform faults and an aid to interpretation of structural patterns in the sea floor. Under reasonable assumptions, it is much more difficult for diverging plates to spread a kilometer of ridge than to slip a kilometer of transform fault, and the patterns observed at spreading centers might extend to lithospheric depths. Under these conditions, the resisting force at spreading centers could play a significant role in the dynamics of plate-tectonic systems. ?? 1972.

Spectral transform and orthogonality relations for the Kadomtsev-Petviashvili I equation

NASA Astrophysics Data System (ADS)

Boiti, M.; Leon, J. J.-P.; Pempinelli, F.

1989-10-01

We define a new spectral transform r(k, l) of the potential u in the time dependent Schrödinger equation (associated to the KPI equation). Orthogonality relations for the sectionally holomorphic eigenfunctions of the Schrödinger equation are used to express the spectral transform f( k, l) previously introduced by Manakov and Fokas and Ablowitz in terms of r( k, l). The main advantage of the new spectral transform r( k, l) is that its definition does not require to introduce an additional nonanalytic eigenfunction N. Characterization equations for r( k, l) are also obtained.

Investigation into the Effects of Weapon Setback on Various Materials and Geometries.

DTIC Science & Technology

1978-07-01

taking the Laplace Transform of the dynamic equation, rearrangement and taking the inverse transform to find the time-dependent strain. The "dynamic...taking the inverse transform of the above equation: ■»-«fa-to*« 1 E’ ♦ ¥®*> B’ (s+-fj- )(S2+f )T If we neglect the residual strain on the system...partial fractions yields: *t) --f (fr JC-> K, K2 —L_ + + K3 »+-^ s+i(f) s-i(f) performing the inverse transform yields: 4©[K,^> ♦ K2

Modeling Cooperative Threads to Project GPU Performance for Adaptive Parallelism

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

Meng, Jiayuan; Uram, Thomas; Morozov, Vitali A.

Most accelerators, such as graphics processing units (GPUs) and vector processors, are particularly suitable for accelerating massively parallel workloads. On the other hand, conventional workloads are developed for multi-core parallelism, which often scale to only a few dozen OpenMP threads. When hardware threads significantly outnumber the degree of parallelism in the outer loop, programmers are challenged with efficient hardware utilization. A common solution is to further exploit the parallelism hidden deep in the code structure. Such parallelism is less structured: parallel and sequential loops may be imperfectly nested within each other, neigh boring inner loops may exhibit different concurrency patternsmore » (e.g. Reduction vs. Forall), yet have to be parallelized in the same parallel section. Many input-dependent transformations have to be explored. A programmer often employs a larger group of hardware threads to cooperatively walk through a smaller outer loop partition and adaptively exploit any encountered parallelism. This process is time-consuming and error-prone, yet the risk of gaining little or no performance remains high for such workloads. To reduce risk and guide implementation, we propose a technique to model workloads with limited parallelism that can automatically explore and evaluate transformations involving cooperative threads. Eventually, our framework projects the best achievable performance and the most promising transformations without implementing GPU code or using physical hardware. We envision our technique to be integrated into future compilers or optimization frameworks for autotuning.« less

Dehydration of Uranyl Nitrate Hexahydrate to Uranyl Nitrate Trihydrate under Ambient Conditions as Observed via Dynamic Infrared Reflectance Spectroscopy

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

2015-05-22

the hexahydrate [UO 2(NO 3) 2(H 2O) 6] (UNH) and the trihydrate [UO 2(NO 3) 2(H 2O) 3] (UNT) forms. Their stabilities depend on both relative humidity and temperature. Both phases have previously been studied by infrared transmission spectroscopy, but the data were limited by both instrumental resolution and the ability to prepare the samples as pellets without desiccating them. We report time-resolved infrared (IR) measurements using an integrating sphere that allow us to observe the transformation from the hexahydrate to the trihydrate simply by flowing dry nitrogen gas over the sample. Hexahydrate samples were prepared and confirmed via knownmore » XRD patterns, then measured in reflectance mode. The hexahydrate has a distinct uranyl asymmetric stretch band at 949.0 cm -1 that shifts to shorter wavelengths and broadens as the sample dehydrates and recrystallizes to the trihydrate, first as a blue edge shoulder but ultimately resulting in a doublet band with reflectance peaks at 966 and 957 cm -1. The data are consistent with transformation from UNH to UNT since UNT has two non-equivalent UO 2 2+ sites. The dehydration of UO 2(NO 3) 2(H 2O) 6 to UO 2(NO 3) 2(H 2O) 3 is both a morphological and structural change that has the lustrous lime green crystals changing to the dull greenish yellow of the trihydrate. Crystal structures and phase transformation were confirmed theoretically using DFT calculations and experimentally via microscopy methods. Both methods showed a transformation with two distinct sites for the uranyl cation in the trihydrate, as opposed to a single crystallographic site in the hexahydrate.« less

Mitigating Space Weather Impacts on the Power Grid in Real-Time: Applying 3-D EarthScope Magnetotelluric Data to Forecasting Reactive Power Loss in Power Transformers

NASA Astrophysics Data System (ADS)

Schultz, A.; Bonner, L. R., IV

2017-12-01

Current efforts to assess risk to the power grid from geomagnetic disturbances (GMDs) that result in geomagnetically induced currents (GICs) seek to identify potential "hotspots," based on statistical models of GMD storm scenarios and power distribution grounding models that assume that the electrical conductivity of the Earth's crust and mantle varies only with depth. The NSF-supported EarthScope Magnetotelluric (MT) Program operated by Oregon State University has mapped 3-D ground electrical conductivity structure across more than half of the continental US. MT data, the naturally occurring time variations in the Earth's vector electric and magnetic fields at ground level, are used to determine the MT impedance tensor for each site (the ratio of horizontal vector electric and magnetic fields at ground level expressed as a complex-valued frequency domain quantity). The impedance provides information on the 3-D electrical conductivity structure of the Earth's crust and mantle. We demonstrate that use of 3-D ground conductivity information significantly improves the fidelity of GIC predictions over existing 1-D approaches. We project real-time magnetic field data streams from US Geological Survey magnetic observatories into a set of linear filters that employ the impedance data and that generate estimates of ground level electric fields at the locations of MT stations. The resulting ground electric fields are projected to and integrated along the path of power transmission lines. This serves as inputs to power flow models that represent the power transmission grid, yielding a time-varying set of quasi-real-time estimates of reactive power loss at the power transformers that are critical infrastructure for power distribution. We demonstrate that peak reactive power loss and hence peak risk for transformer damage from GICs does not necessarily occur during peak GMD storm times, but rather depends on the time-evolution of the polarization of the GMD's inducing fields and the complex ground (3-D) electric field response, and the resulting alignment of the ground electric fields with the power transmission line paths. This is informing our efforts to provide a set of real-time tools for power grid operators to use in mitigating damage from space weather events.

Damage monitoring of aircraft structures made of composite materials using wavelet transforms

NASA Astrophysics Data System (ADS)

Molchanov, D.; Safin, A.; Luhyna, N.

2016-10-01

The present article is dedicated to the study of the acoustic properties of composite materials and the application of non-destructive testing methods to aircraft components. A mathematical model of a wavelet transformed signal is presented. The main acoustic (vibration) properties of different composite material structures were researched. Multiple vibration parameter dependencies on the noise reduction factor were derived. The main steps of a research procedure and new method algorithm are presented. The data obtained was compared with the data from a three dimensional laser-Doppler scanning vibrometer, to validate the results. The new technique was tested in the laboratory and on civil aircraft at a training airfield.

Thiol ligand-induced transformation of Au38(SC2H4Ph)24 to Au36(SPh-t-Bu)24.

PubMed

Zeng, Chenjie; Liu, Chunyan; Pei, Yong; Jin, Rongchao

2013-07-23

We report a disproportionation mechanism identified in the transformation of rod-like biicosahedral Au38(SCH2CH2Ph)24 to tetrahedral Au36(TBBT)24 nanoclusters. Time-dependent mass spectrometry and optical spectroscopy analyses unambiguously map out the detailed size-conversion pathway. The ligand exchange of Au38(SCH2CH2Ph)24 with bulkier 4-tert-butylbenzenethiol (TBBT) until a certain extent starts to trigger structural distortion of the initial biicosahedral Au38(SCH2CH2Ph)24 structure, leading to the release of two Au atoms and eventually the Au36(TBBT)24 nanocluster with a tetrahedral structure, in which process the number of ligands is interestingly preserved. The other product of the disproportionation process, i.e., Au40(TBBT)m+2(SCH2CH2Ph)24-m, was concurrently observed as an intermediate, which was the result of addition of two Au atoms and two TBBT ligands to Au38(TBBT)m(SCH2CH2Ph)24-m. The reaction kinetics on the Au38(SCH2CH2Ph)24 to Au36(TBBT)24 conversion process was also performed, and the activation energies of the structural distortion and disproportionation steps were estimated to be 76 and 94 kJ/mol, respectively. The optical absorption features of Au36(TBBT)24 are interpreted on the basis of density functional theory simulations.

Determination of the thermal stress wave propagation in orthotropic hollow cylinder based on classical theory of thermoelasticity

NASA Astrophysics Data System (ADS)

Shahani, Amir Reza; Sharifi Torki, Hamid

2018-01-01

The thermoelasticity problem in a thick-walled orthotropic hollow cylinder is solved analytically using finite Hankel transform and Laplace transform. Time-dependent thermal and mechanical boundary conditions are applied on the inner and the outer surfaces of the cylinder. For solving the energy equation, the temperature itself is considered as boundary condition to be applied on both the inner and the outer surfaces of the orthotropic cylinder. Two different cases are assumed for solving the equation of motion: traction-traction problem (tractions are prescribed on both the inner and the outer surfaces) and traction-displacement (traction is prescribed on the inner surface and displacement is prescribed on the outer surface of the hollow orthotropic cylinder). Due to considering uncoupled theory, after obtaining temperature distribution, the dynamical structural problem is solved and closed-form relations are derived for radial displacement, radial and hoop stress. As a case study, exponentially decaying temperature with respect to time is prescribed on the inner surface of the cylinder and the temperature of the outer surface is considered to be zero. Owing to solving dynamical problem, the stress wave propagation and its reflections were observed after plotting the results in both cases.

Ferroelectric Phase Transformations for Energy Conversion and Storage Applications

NASA Astrophysics Data System (ADS)

Jo, Hwan Ryul

Ferroelectric materials possess a spontaneous polarization and actively respond to external mechanical, electrical, and thermal loads. Due to their coupled behavior, ferroelectric materials are used in products such as sensors, actuators, detectors, and transducers. However, most current applications rely on low-energy conversion that involves low magnitude fields. They utilize the low-field linear properties of ferroelectric materials (piezoelectric, pyroelectric) and do not take full advantage of the large-field nonlinear behavior (irreversible domain wall motion, phase transformations) that can occur in ferroelectric materials. When external fields exceed a certain critical level, a structural transformation of the crystal can occur. These phase transformations are accompanied by a much larger response than the linear piezoelectric and pyroelectric responses, by as much as a multiple of ten times in the magnitude. This makes the non-linear behavior in ferroelectric materials promising for energy harvesting and energy storage technologies which will benefit from large-energy conversion. Yet, the ferroelectric phase transformation behavior under large external fields have been less studied and only a few studies have been directed at utilizing this large material response in applications. This dissertation addresses the development ferroelectric phase transformation-based applications, with particular focus on the materials. Development of the ferroelectric phase transformation-based applications was approached in several steps. First, the phase transformation behavior was fully characterized and understood by measuring the phase transformation responses under mechanical, electrical, thermal, and combined loads. Once the behavior was well characterized, systems level applications were addressed. This required assessing the effect of the phase transformation behavior on system performance. The performance of ferroelectric devices is strongly dependent on material properties and phase transformation behavior which can be tailored by modifying the chemical composition, processing conditions, and the loading history (poling). This results in optimization of system performance by tailoring material properties and phase transformation behavior. This approach applied to three ferroelectric phase transformation-based applications: 1. Ferroelectric energy generation 2. Ferroelectric high-energy storage capacitor 3. Ferroelectric thermal energy harvesting. This dissertation has addressed tuning the large field properties for phase transformation-based systems.

Ultrafast Dynamics of 1,3-Cyclohexadiene in Highly Excited States

DOE PAGES

Bühler, Christine C.; Minitti, Michael P.; Deb, Sanghamitra; ...

2011-01-01

The ultrafast dynamics of 1,3-cyclohexadiene has been investigated via structurally sensitive Rydberg electron binding energies and shown to differ upon excitation to the 1B state and the 3p Rydberg state. Excitation of the molecule with 4.63 eV photons into the ultrashort-lived 1B state yields the well-known ring opening to 1,3,5-hexatriene, while a 5.99 eV photon lifts the molecule directly into the 3p-Rydberg state. Excitation to 3p does not induce ring opening. In both experiments, time-dependent shifts of the Rydberg electron binding energy reflect the structural dynamics of the molecular core. Structural distortions associated with 3p-excitation cause a dynamical shift in the -more » and -binding energies by 10 and 26 meV/ps, respectively, whereas after excitation into 1B, more severe structural transformations along the ring-opening coordinate produce shifts at a rate of 40 to 60 meV/ps. The experiment validates photoionization-photoelectron spectroscopy via Rydberg states as a powerful technique to observe structural dynamics of polyatomic molecules.« less

Transformation of BCC and B2 High Temperature Phases to HCP and Orthorhombic Structures in the Ti-Al-Nb System. Part II: Experimental TEM Study of Microstructures

PubMed Central

Bendersky, L. A.; Boettinger, W. J.

1993-01-01

Possible transformation paths that involve no long range diffusion and their corresponding microstructural details were predicted by Bendersky, Roytburd, and Boettinger [J. Res. Natl. Inst. Stand. Technol. 98, 561 (1993)] for Ti-Al-Nb alloys cooled from the high temperature BCC/B2 phase field into close-packed orthorhombic or hexagonal phase fields. These predictions were based on structural and symmetry relations between the known phases. In the present paper experimental TEM results show that two of the predicted transformation paths are indeed followed for different alloy compositions. For Ti-25Al-12.5Nb (at%), the path includes the formation of intermediate hexagonal phases, A3 and DO19, and subsequent formation of a metastable domain structure of the low-temperature O phase. For alloys close to Ti-25Al-25Nb (at%), the path involves an intermediate B19 structure and subsequent formation of a translational domain structure of the O phase. The path selection depends on whether B2 order forms in the high temperature cubic phase prior to transformation to the close-packed structure. The paper also analyzes the formation of a two-phase modulated microstructure during long term annealing at 700 °C. The structure forms by congruent ordering of the DO19 phase to the O phase, and then reprecipitation of the DO19 phase, possibly by a spinodal mechanism. The thermodynamics underlying the path selection and the two-phase formation are also discussed. PMID:28053488

Structural, microstructural and thermal analysis of U-(6-x)Zr-xNb alloys (x = 0, 2, 4, 6)

NASA Astrophysics Data System (ADS)

Kaity, Santu; Banerjee, Joydipta; Parida, S. C.; Bhasin, Vivek

2018-06-01

Uranium-rich U-Zr-Nb alloy is considered as a good alternative fuel for fast reactors from the perspective of excellent dimensional stability and desired thermo-physical properties to achieve higher burnup. Detailed investigations related to the structural and microstructural characterization, thermal expansion, phase transformation, microhardness were carried out on U-6Zr, U-4Zr-2Nb, U-2Zr-4Nb and U-6Nb alloys (composition in wt%) where the total amount of alloying elements was restricted to 6 wt%. Structural, microstructural and thermal analysis studies revealed that these alloys undergo a series of transformations from high temperature bcc γ-phase to a variety of equilibrium and intermediate phases depending upon alloy composition, cooling rate and quenching. The structural analysis was carried out by Rietveld refinement. The data of U-Nb and U-Zr-Nb alloys have been highlighted and compared with binary U-Zr alloy.

A Method to Compute the Force Signature of a Body Impacting on a Linear Elastic Structure Using Fourier Analysis

DTIC Science & Technology

1982-09-17

FK * 1PK (2) The convolution of two transforms in time domain is the inverse transform of the product in frequency domain. Thus Rp(s) - Fgc() Ipg(*) (3...its inverse transform by: R,(r)- R,(a.)e’’ do. (5)2w In order to nuke use f a very accurate numerical method to ompute Fourier "ke and coil...taorm. When the inverse transform it tken by using Eq. (15), the cosine transform, because it converges faster than the sine transform refu-ft the

Relativity of Scales: Application to AN Endo-Perspective of Temporal Structures

NASA Astrophysics Data System (ADS)

Nottale, Laurent; Timar, Pierre

The theory of scale relativity is an extension of the principle of relativity to scale transformations of the reference system, in a fractal geometry framework where coordinates become explicitly dependent on resolutions. Applied to an observer perspective, it means that the scales of length and of time, usually attributed to the observed object as being intrinsic to it, have actually no existence by themselves, since only the ratio between an external scale and an internal scale, which serves as unit, is meaningful. Oliver Sacks' observations on patients suffering from temporal and spatial distortions in Parkinson's and encephalitis lethargica disease offer a particularly relevant field of application for such a scale-relativistic view.

Dilatancy of Shear Transformations in a Colloidal Glass

NASA Astrophysics Data System (ADS)

Lu, Y. Z.; Jiang, M. Q.; Lu, X.; Qin, Z. X.; Huang, Y. J.; Shen, J.

2018-01-01

Shear transformations, as fundamental rearrangement events operating in local regions, hold the key of plastic flow of amorphous solids. Despite their importance, the dynamic features of shear transformations are far from clear, which is the focus of the present study. Here, we use a colloidal glass under shear as the prototype to directly observe the shear-transformation events in real space. By tracing the colloidal-particle rearrangements, we quantitatively determine two basic properties of shear transformations: local shear strain and dilatation (or free volume). It is revealed that the local free volume undergoes a significantly temporary increase prior to shear transformations, eventually leading to a jump of local shear strain. We clearly demonstrate that shear transformations have no memory of the initial free volume of local regions. Instead, their emergence strongly depends on the dilatancy ability of these local regions, i.e., the dynamic creation of free volume. More specifically, the particles processing the high dilatancy ability directly participate in subsequent shear transformations. These results experimentally enrich Argon's statement about the dilatancy nature of shear transformations and also shed insight into the structural origin of amorphous plasticity.

Temperature- and pressure-dependent structural transformation of methane hydrates in salt environments

NASA Astrophysics Data System (ADS)

Shin, Donghoon; Cha, Minjun; Yang, Youjeong; Choi, Seunghyun; Woo, Yesol; Lee, Jong-Won; Ahn, Docheon; Im, Junhyuck; Lee, Yongjae; Han, Oc Hee; Yoon, Ji-Ho

2017-03-01

Understanding the stability of volatile species and their compounds under various surface and subsurface conditions is of great importance in gaining insights into the formation and evolution of planetary and satellite bodies. We report the experimental results of the temperature- and pressure-dependent structural transformation of methane hydrates in salt environments using in situ synchrotron X-ray powder diffraction, solid-state nuclear magnetic resonance, and Raman spectroscopy. We find that under pressurized and concentrated brine solutions methane hydrate forms a mixture of type I clathrate hydrate, ice, and hydrated salts. Under a low-pressure condition, however, the methane hydrates are decomposed through a rapid sublimation of water molecules from the surface of hydrate crystals, while NaCl · 2H2O undergoes a phase transition into a crystal growth of NaCl via the migration of salt ions. In ambient pressure conditions, the methane hydrate is fully decomposed in brine solutions at temperatures above 252 K, the eutectic point of NaCl · 2H2O.

ER2OWL: Generating OWL Ontology from ER Diagram

NASA Astrophysics Data System (ADS)

Fahad, Muhammad

Ontology is the fundamental part of Semantic Web. The goal of W3C is to bring the web into (its full potential) a semantic web with reusing previous systems and artifacts. Most legacy systems have been documented in structural analysis and structured design (SASD), especially in simple or Extended ER Diagram (ERD). Such systems need up-gradation to become the part of semantic web. In this paper, we present ERD to OWL-DL ontology transformation rules at concrete level. These rules facilitate an easy and understandable transformation from ERD to OWL. The set of rules for transformation is tested on a structured analysis and design example. The framework provides OWL ontology for semantic web fundamental. This framework helps software engineers in upgrading the structured analysis and design artifact ERD, to components of semantic web. Moreover our transformation tool, ER2OWL, reduces the cost and time for building OWL ontologies with the reuse of existing entity relationship models.

Radon exhalation of hardening concrete: monitoring cement hydration and prediction of radon concentration in construction site.

PubMed

Kovler, Konstantin

2006-01-01

The unique properties of radon as a noble gas are used for monitoring cement hydration and microstructural transformations in cementitious system. It is found that the radon concentration curve for hydrating cement paste enclosed in the chamber increases from zero (more accurately - background) concentrations, similar to unhydrated cement. However, radon concentrations developed within 3 days in the test chamber containing cement paste were approximately 20 times higher than those of unhydrated cement. This fact proves the importance of microstructural transformations taking place in the process of cement hydration, in comparison with cement grain, which is a time-stable material. It is concluded that monitoring cement hydration by means of radon exhalation method makes it possible to distinguish between three main stages, which are readily seen in the time dependence of radon concentration: stage I (dormant period), stage II (setting and intensive microstructural transformations) and stage III (densification of the structure and drying). The information presented improves our understanding of the main physical mechanisms resulting in the characteristic behavior of radon exhalation in the course of cement hydration. The maximum value of radon exhalation rate observed, when cement sets, can reach 0.6 mBq kg(-1) s(-1) and sometimes exceeds 1.0 mBq kg(-1) s(-1). These values exceed significantly to those known before for cementitious materials. At the same time, the minimum ventilation rate accepted in the design practice (0.5 h(-1)), guarantees that the concentrations in most of the cases will not exceed the action level and that they are not of any radiological concern for construction workers employed in concreting in closed spaces.

Further distinctive investigations of the Sumudu transform

NASA Astrophysics Data System (ADS)

Belgacem, Fethi Bin Muhammad; Silambarasan, Rathinavel

2017-01-01

The Sumudu transform of time function f (t) is computed by making the transform variable u of Sumudu as factor of function f (t) and then integrated against exp(-t). Being a factor in the original function f (t), becomes f (ut) preserves units and dimension. This preservation property distinguishes Sumudu from other integral transforms. With obtained definition, the related complete set of properties were derived for the Sumudu transform. Framgment of Symbolic C++ program was given for Sumudu computation as series. Also procedure in Maple was given for Sumudu computation in closed form. The Method proposed herein not depends neither on any of homotopy methods such as HPM, HAM nor any of decomposition methods such as ADM.

Adenosine monophosphate affects competence development and plasmid DNA transformation in Escherichia coli.

PubMed

Zhang, Yan; Li, Wenhua; Wang, Liming; Shen, Ping; Xie, Zhixiong

2013-11-01

Artificial plasmid DNA transformation of Escherichia coli induced by calcium chloride is a routine technique in molecular biology and genetic engineering processes, but its mechanism has remained elusive. Because adenosine monophosphate (AMP) has been found to regulate natural transformation in Haemophilus influenza, we aimed to investigate the effects of AMP and its derivatives on E. coli transformation by treating competence with different concentrations of them. Analysis of the transformation efficiencies revealed that AMP inhibited the artificial plasmid DNA transformation of E. coli in a concentration- and time-dependent manner. Furthermore, we found that AMP had no effect on the expression of the transformed gene but that the intracellular AMP level of the competent cells rose after a 6 h treatment. These results suggested that the intracellular AMP level had an important role in E. coli transformation. And these have useful implications for the further investigation of the mechanism of E. coli transformation.

Atomic approximation to the projection on electronic states in the Douglas-Kroll-Hess approach to the relativistic Kohn-Sham method.

PubMed

Matveev, Alexei V; Rösch, Notker

2008-06-28

We suggest an approximate relativistic model for economical all-electron calculations on molecular systems that exploits an atomic ansatz for the relativistic projection transformation. With such a choice, the projection transformation matrix is by definition both transferable and independent of the geometry. The formulation is flexible with regard to the level at which the projection transformation is approximated; we employ the free-particle Foldy-Wouthuysen and the second-order Douglas-Kroll-Hess variants. The (atomic) infinite-order decoupling scheme shows little effect on structural parameters in scalar-relativistic calculations; also, the use of a screened nuclear potential in the definition of the projection transformation shows hardly any effect in the context of the present work. Applications to structural and energetic parameters of various systems (diatomics AuH, AuCl, and Au(2), two structural isomers of Ir(4), and uranyl dication UO(2) (2+) solvated by 3-6 water ligands) show that the atomic approximation to the conventional second-order Douglas-Kroll-Hess projection (ADKH) transformation yields highly accurate results at substantial computational savings, in particular, when calculating energy derivatives of larger systems. The size-dependence of the intrinsic error of the ADKH method in extended systems of heavy elements is analyzed for the atomization energies of Pd(n) clusters (n

Tracking the Chemical Transformations at the Brønsted Acid Site upon Water-Induced Deprotonation in a Zeolite Pore

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

Vjunov, Aleksei; Wang, Meng; Govind, Niranjan

We report the structural changes induced by Brønsted acidic site deprotonation in a zeolite with MFI structure as a function of temperature up to 430°C using in situ Al K-edge X-ray absorption fine structure spectroscopy (XAFS). At ambient conditions, the protons are present as hydrated hydronium ions (H3O+(H2O)n) that are ion-paired to the anionic, Al tetrahedral (T) site. At elevated temperatures, loss of water molecules hydrating the hydronium ions leads to an unstable free hydronium ion that disso-ciates to form the hydroxylated T-site. The formation of this (-O3)-Al-(OH-) species leads to the elongation of one of the four Al-O bondsmore » and causes significant distortion of the tetrahedral symmetry about the Al atom. This distortion leads to the appearance of new pre-edge features in the Al K-edge X-ray absorption near edge structure (XANES) spectra. The pre-edge peak assignment is confirmed by time-dependent density functional theory calculation of the XANES spectrum. The XANES spectra are also sensitive to solutes or solvent that are in proximity to the T-site. A second structural transition occurs at about the same temperature, namely the conversion of a minor fraction of extra-framework octahedral Al present in the sample at ambient conditions to a tetrahedral species through the de-coordination of H2O-ligands. Both IR spectroscopy and thermogravimetric analysis (TGA) are further used to confirm the overall chemical transformation of the T-site.« less

Orientation Dependence of Functional Properties in Heterophase Single Crystals of the Ti36.5Ni51.0Hf12.5 and Ti48.5Ni51.5 Alloys

NASA Astrophysics Data System (ADS)

Panchenko, E. Yu.; Chumlyakov, Yu. I.; Surikov, N. Yu.; Tagiltsev, A. I.; Vetoshkina, N. G.; Osipovich, K. S.; Maier, H.; Sehitoglu, H.

2016-03-01

The features of orientation dependence of stress-induced thermoelastic B2-( R)- B19'-martensitic transformations in single crystals of the Ti48.5Ni51.5 and Ni51.0Ti36.5Hf12.5 (at.%) alloys, which contain disperse particles of the Ti3Ni4 and H-phase, respectively, are revealed along with those of their shape-memory effects (SME) and superelasticity (SE). It is experimentally demonstrated that irrespective of the crystal structure of disperse particles measuring more than 100 nm, for their volume fraction f > 16% there is a weaker orientation dependence of the reversible strain in the cases of manifestation of SME and SE. In the orientations of Class I, wherein martensitic detwinning introduces a considerable contribution into transformation strain, the values of SME |ɛ SME | and SE |ɛ SE | decrease by over a factor of two compared to the theoretical lattice strain value |ɛ tr0 | for a B2- B19'-transformation and the experimental values of reversible strain for quenched TiNi crystals. In the orientations of Class 2, wherein detwinning of the martensite is suppressed as is the case in quenched single-phase single crystals, the reversible strain is maintained close to its theoretical value |ɛ tr0 |. Micromechanical models of interaction between the martensite and the disperse particles are proposed, which account for the weaker orientation dependence of |ɛ SME | and |ɛ SE | due to suppression of detwinning of the B19'-martensite crystals by the particles and a transition from a single-variant evolution of the stress-induced martensitic transformations to a multiple-variant evolution of transformations in the cases of increased size of the particles and their larger volume fractions.

Speed of evolution on graphs

NASA Astrophysics Data System (ADS)

Sui, Xiukai; Wu, Bin; Wang, Long

2015-12-01

The likelihood that a mutant fixates in the wild population, i.e., fixation probability, has been intensively studied in evolutionary game theory, where individuals' fitness is frequency dependent. However, it is of limited interest when it takes long to take over. Thus the speed of evolution becomes an important issue. In general, it is still unclear how fixation times are affected by the population structure, although the fixation times have already been addressed in the well-mixed populations. Here we theoretically address this issue by pair approximation and diffusion approximation on regular graphs. It is shown (i) that under neutral selection, both unconditional and conditional fixation time are shortened by increasing the number of neighbors; (ii) that under weak selection, for the simplified prisoner's dilemma game, if benefit-to-cost ratio exceeds the degree of the graph, then the unconditional fixation time of a single cooperator is slower than that in the neutral case; and (iii) that under weak selection, for the conditional fixation time, limited neighbor size dilutes the counterintuitive stochastic slowdown which was found in well-mixed populations. Interestingly, we find that all of our results can be interpreted as that in the well-mixed population with a transformed payoff matrix. This interpretation is also valid for both death-birth and birth-death processes on graphs. This interpretation bridges the fixation time in the structured population and that in the well-mixed population. Thus it opens the avenue to investigate the challenging fixation time in structured populations by the known results in well-mixed populations.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations

DOE PAGES

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F.; ...

2016-03-04

Chemical imaging at the atomic-scale provides a useful real-space approach to chemically investigate solid crystal structures, and has been recently demonstrated in aberration corrected scanning transmission electron microscopy (STEM). Atomic-scale chemical imaging by STEM using energy-dispersive X-ray spectroscopy (EDS) offers easy data interpretation with a one-to-one correspondence between image and structure but has a severe shortcoming due to the poor efficiency of X-ray generation and collection. As a result, it requires a long acquisition time of typical > few 100 seconds, limiting its potential applications. Here we describe the development of an atomic-scale STEM EDS chemical imaging technique that cutsmore » the acquisition time to one or a few seconds, efficiently reducing the acquisition time by more than 100 times. This method was demonstrated using LaAlO 3 (LAO) as a model crystal. Applying this method to the study of phase transformation induced by electron-beam radiation in a layered lithium transition-metal (TM) oxide, i.e., Li[Li 0.2Ni 0.2Mn 0.6]O 2 (LNMO), a cathode materials for lithium-ion batteries, we obtained a time-series of the atomic-scale chemical imaging, showing the transformation progressing by preferably jumping of Ni atoms from the TM layers into the Li-layers. The new capability offers an opportunity for temporal, atomic-scale chemical mapping of crystal structures for the investigation of materials susceptible to electron irradiation as well as phase transformation and dynamics at the atomic-scale.« less

Damage detection on sudden stiffness reduction based on discrete wavelet transform.

PubMed

Chen, Bo; Chen, Zhi-wei; Wang, Gan-jun; Xie, Wei-ping

2014-01-01

The sudden stiffness reduction in a structure may cause the signal discontinuity in the acceleration responses close to the damage location at the damage time instant. To this end, the damage detection on sudden stiffness reduction of building structures has been actively investigated in this study. The signal discontinuity of the structural acceleration responses of an example building is extracted based on the discrete wavelet transform. It is proved that the variation of the first level detail coefficients of the wavelet transform at damage instant is linearly proportional to the magnitude of the stiffness reduction. A new damage index is proposed and implemented to detect the damage time instant, location, and severity of a structure due to a sudden change of structural stiffness. Numerical simulation using a five-story shear building under different types of excitation is carried out to assess the effectiveness and reliability of the proposed damage index for the building at different damage levels. The sensitivity of the damage index to the intensity and frequency range of measurement noise is also investigated. The made observations demonstrate that the proposed damage index can accurately identify the sudden damage events if the noise intensity is limited.

Baseline-Subtraction-Free (BSF) Damage-Scattered Wave Extraction for Stiffened Isotropic Plates

NASA Technical Reports Server (NTRS)

He, Jiaze; Leser, Patrick E.; Leser, William P.

2017-01-01

Lamb waves enable long distance inspection of structures for health monitoring purposes. However, this capability is diminished when applied to complex structures where damage-scattered waves are often buried by scattering from various structural components or boundaries in the time-space domain. Here, a baseline-subtraction-free (BSF) inspection concept based on the Radon transform (RT) is proposed to identify and separate these scattered waves from those scattered by damage. The received time-space domain signals can be converted into the Radon domain, in which the scattered signals from structural components are suppressed into relatively small regions such that damage-scattered signals can be identified and extracted. In this study, a piezoelectric wafer and a linear scan via laser Doppler vibrometer (LDV) were used to excite and acquire the Lamb-wave signals in an aluminum plate with multiple stiffeners. Linear and inverse linear Radon transform algorithms were applied to the direct measurements. The results demonstrate the effectiveness of the Radon transform as a reliable extraction tool for damage-scattered waves in a stiffened aluminum plate and also suggest the possibility of generalizing this technique for application to a wide variety of complex, large-area structures.

Estimation of effect of hydrogen on the parameters of magnetoacoustic emission signals

NASA Astrophysics Data System (ADS)

Skalskyi, Valentyn; Stankevych, Olena; Dubytskyi, Olexandr

2018-05-01

The features of the magnetoacoustic emission (MAE) signals during magnetization of structural steels with the different degree of hydrogenating were investigated by the wavelet transform. The dominant frequency ranges of MAE signals for the different magnetic field strength were determined using Discrete Wavelet Transform (DWT), and the energy and spectral parameters of MAE signals were determined using Continuous Wavelet Transform (CWT). The characteristic differences of the local maximums of signals according to energy, bandwidth, duration and frequency were found. The methodology of estimation of state of local degradation of materials by parameters of wavelet transform of MAE signals was proposed. This methodology was approbated for investigate of state of long-time exploitations structural steels of oil and gas pipelines.

Fluctuating ideal-gas lattice Boltzmann method with fluctuation dissipation theorem for nonvanishing velocities.

PubMed

Kaehler, G; Wagner, A J

2013-06-01

Current implementations of fluctuating ideal-gas descriptions with the lattice Boltzmann methods are based on a fluctuation dissipation theorem, which, while greatly simplifying the implementation, strictly holds only for zero mean velocity and small fluctuations. We show how to derive the fluctuation dissipation theorem for all k, which was done only for k=0 in previous derivations. The consistent derivation requires, in principle, locally velocity-dependent multirelaxation time transforms. Such an implementation is computationally prohibitively expensive but, with a small computational trick, it is feasible to reproduce the correct FDT without overhead in computation time. It is then shown that the previous standard implementations perform poorly for non vanishing mean velocity as indicated by violations of Galilean invariance of measured structure factors. Results obtained with the method introduced here show a significant reduction of the Galilean invariance violations.

Gradual multifractal reconstruction of time-series: Formulation of the method and an application to the coupling between stock market indices and their Hölder exponents

NASA Astrophysics Data System (ADS)

Keylock, Christopher J.

2018-04-01

A technique termed gradual multifractal reconstruction (GMR) is formulated. A continuum is defined from a signal that preserves the pointwise Hölder exponent (multifractal) structure of a signal but randomises the locations of the original data values with respect to this (φ = 0), to the original signal itself(φ = 1). We demonstrate that this continuum may be populated with synthetic time series by undertaking selective randomisation of wavelet phases using a dual-tree complex wavelet transform. That is, the φ = 0 end of the continuum is realised using the recently proposed iterated, amplitude adjusted wavelet transform algorithm (Keylock, 2017) that fully randomises the wavelet phases. This is extended to the GMR formulation by selective phase randomisation depending on whether or not the wavelet coefficient amplitudes exceeds a threshold criterion. An econophysics application of the technique is presented. The relation between the normalised log-returns and their Hölder exponents for the daily returns of eight financial indices are compared. One particularly noticeable result is the change for the two American indices (NASDAQ 100 and S&P 500) from a non-significant to a strongly significant (as determined using GMR) cross-correlation between the returns and their Hölder exponents from before the 2008 crash to afterwards. This is also reflected in the skewness of the phase difference distributions, which exhibit a geographical structure, with Asian markets not exhibiting significant skewness in contrast to those from elsewhere globally.

Measurement of the internal stress and electric field in a resonating piezoelectric transformer for high-voltage applications using the electro-optic and photoelastic effects

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

VanGordon, James A.; Kovaleski, Scott D., E-mail: kovaleskis@missouri.edu; Norgard, Peter

The high output voltages from piezoelectric transformers are currently being used to accelerate charged particle beams for x-ray and neutron production. Traditional methods of characterizing piezoelectric transformers (PTs) using electrical probes can decrease the voltage transformation ratio of the device due to the introduction of load impedances on the order of hundreds of kiloohms to hundreds of megaohms. Consequently, an optical diagnostic was developed that used the photoelastic and electro-optic effects present in piezoelectric materials that are transparent to a given optical wavelength to determine the internal stress and electric field. The combined effects of the piezoelectric, photoelastic, and electro-opticmore » effects result in a time-dependent change the refractive indices of the material and produce an artificially induced, time-dependent birefringence in the piezoelectric material. This induced time-dependent birefringence results in a change in the relative phase difference between the ordinary and extraordinary wave components of a helium-neon laser beam. The change in phase difference between the wave components was measured using a set of linear polarizers. The measured change in phase difference was used to calculate the stress and electric field based on the nonlinear optical properties, the piezoelectric constitutive equations, and the boundary conditions of the PT. Maximum stresses of approximately 10 MPa and electric fields of as high as 6 kV/cm were measured with the optical diagnostic. Measured results were compared to results from both a simple one-dimensional (1D) model of the piezoelectric transformer and a three-dimensional (3D) finite element model. Measured stresses and electric fields along the length of an operating length-extensional PT for two different electrical loads were within at least 50 % of 3D finite element simulated results. Additionally, the 3D finite element results were more accurate than the results from the 1D model for a wider range of electrical load impedances under test.« less

Measurement of the internal stress and electric field in a resonating piezoelectric transformer for high-voltage applications using the electro-optic and photoelastic effects.

PubMed

VanGordon, James A; Kovaleski, Scott D; Norgard, Peter; Gall, Brady B; Dale, Gregory E

2014-02-01

The high output voltages from piezoelectric transformers are currently being used to accelerate charged particle beams for x-ray and neutron production. Traditional methods of characterizing piezoelectric transformers (PTs) using electrical probes can decrease the voltage transformation ratio of the device due to the introduction of load impedances on the order of hundreds of kiloohms to hundreds of megaohms. Consequently, an optical diagnostic was developed that used the photoelastic and electro-optic effects present in piezoelectric materials that are transparent to a given optical wavelength to determine the internal stress and electric field. The combined effects of the piezoelectric, photoelastic, and electro-optic effects result in a time-dependent change the refractive indices of the material and produce an artificially induced, time-dependent birefringence in the piezoelectric material. This induced time-dependent birefringence results in a change in the relative phase difference between the ordinary and extraordinary wave components of a helium-neon laser beam. The change in phase difference between the wave components was measured using a set of linear polarizers. The measured change in phase difference was used to calculate the stress and electric field based on the nonlinear optical properties, the piezoelectric constitutive equations, and the boundary conditions of the PT. Maximum stresses of approximately 10 MPa and electric fields of as high as 6 kV/cm were measured with the optical diagnostic. Measured results were compared to results from both a simple one-dimensional (1D) model of the piezoelectric transformer and a three-dimensional (3D) finite element model. Measured stresses and electric fields along the length of an operating length-extensional PT for two different electrical loads were within at least 50 % of 3D finite element simulated results. Additionally, the 3D finite element results were more accurate than the results from the 1D model for a wider range of electrical load impedances under test.

Comparison of different spatial transformations applied to EEG data: A case study of error processing.

PubMed

Cohen, Michael X

2015-09-01

The purpose of this paper is to compare the effects of different spatial transformations applied to the same scalp-recorded EEG data. The spatial transformations applied are two referencing schemes (average and linked earlobes), the surface Laplacian, and beamforming (a distributed source localization procedure). EEG data were collected during a speeded reaction time task that provided a comparison of activity between error vs. correct responses. Analyses focused on time-frequency power, frequency band-specific inter-electrode connectivity, and within-subject cross-trial correlations between EEG activity and reaction time. Time-frequency power analyses showed similar patterns of midfrontal delta-theta power for errors compared to correct responses across all spatial transformations. Beamforming additionally revealed error-related anterior and lateral prefrontal beta-band activity. Within-subject brain-behavior correlations showed similar patterns of results across the spatial transformations, with the correlations being the weakest after beamforming. The most striking difference among the spatial transformations was seen in connectivity analyses: linked earlobe reference produced weak inter-site connectivity that was attributable to volume conduction (zero phase lag), while the average reference and Laplacian produced more interpretable connectivity results. Beamforming did not reveal any significant condition modulations of connectivity. Overall, these analyses show that some findings are robust to spatial transformations, while other findings, particularly those involving cross-trial analyses or connectivity, are more sensitive and may depend on the use of appropriate spatial transformations. Copyright © 2014 Elsevier B.V. All rights reserved.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

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

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue

We present two efficient iterative algorithms for solving the linear response eigen- value problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into a product eigenvalue problem that is self-adjoint with respect to a K-inner product. This product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-innermore » product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. However, the other component of the eigenvector can be easily recovered in a postprocessing procedure. Therefore, the algorithms we present here are more efficient than existing algorithms that try to approximate both components of the eigenvectors simultaneously. The efficiency of the new algorithms is demonstrated by numerical examples.« less

Fully Anisotropic Rotational Diffusion Tensor from Molecular Dynamics Simulations.

PubMed

Linke, Max; Köfinger, Jürgen; Hummer, Gerhard

2018-05-31

We present a method to calculate the fully anisotropic rotational diffusion tensor from molecular dynamics simulations. Our approach is based on fitting the time-dependent covariance matrix of the quaternions that describe the rigid-body rotational dynamics. Explicit analytical expressions have been derived for the covariances by Favro, which are valid irrespective of the degree of anisotropy. We use these expressions to determine an optimal rotational diffusion tensor from trajectory data. The molecular structures are aligned against a reference by optimal rigid-body superposition. The quaternion covariances can then be obtained directly from the rotation matrices used in the alignment. The rotational diffusion tensor is determined by a fit to the time-dependent quaternion covariances, or directly by Laplace transformation and matrix diagonalization. To quantify uncertainties in the fit, we derive analytical expressions and compare them with the results of Brownian dynamics simulations of anisotropic rotational diffusion. We apply the method to microsecond long trajectories of the Dickerson-Drew B-DNA dodecamer and of horse heart myoglobin. The anisotropic rotational diffusion tensors calculated from simulations agree well with predictions from hydrodynamics.

Statistical Frequency-Dependent Analysis of Trial-to-Trial Variability in Single Time Series by Recurrence Plots.

PubMed

Tošić, Tamara; Sellers, Kristin K; Fröhlich, Flavio; Fedotenkova, Mariia; Beim Graben, Peter; Hutt, Axel

2015-01-01

For decades, research in neuroscience has supported the hypothesis that brain dynamics exhibits recurrent metastable states connected by transients, which together encode fundamental neural information processing. To understand the system's dynamics it is important to detect such recurrence domains, but it is challenging to extract them from experimental neuroscience datasets due to the large trial-to-trial variability. The proposed methodology extracts recurrent metastable states in univariate time series by transforming datasets into their time-frequency representations and computing recurrence plots based on instantaneous spectral power values in various frequency bands. Additionally, a new statistical inference analysis compares different trial recurrence plots with corresponding surrogates to obtain statistically significant recurrent structures. This combination of methods is validated by applying it to two artificial datasets. In a final study of visually-evoked Local Field Potentials in partially anesthetized ferrets, the methodology is able to reveal recurrence structures of neural responses with trial-to-trial variability. Focusing on different frequency bands, the δ-band activity is much less recurrent than α-band activity. Moreover, α-activity is susceptible to pre-stimuli, while δ-activity is much less sensitive to pre-stimuli. This difference in recurrence structures in different frequency bands indicates diverse underlying information processing steps in the brain.

Statistical Frequency-Dependent Analysis of Trial-to-Trial Variability in Single Time Series by Recurrence Plots

PubMed Central

Tošić, Tamara; Sellers, Kristin K.; Fröhlich, Flavio; Fedotenkova, Mariia; beim Graben, Peter; Hutt, Axel

2016-01-01

For decades, research in neuroscience has supported the hypothesis that brain dynamics exhibits recurrent metastable states connected by transients, which together encode fundamental neural information processing. To understand the system's dynamics it is important to detect such recurrence domains, but it is challenging to extract them from experimental neuroscience datasets due to the large trial-to-trial variability. The proposed methodology extracts recurrent metastable states in univariate time series by transforming datasets into their time-frequency representations and computing recurrence plots based on instantaneous spectral power values in various frequency bands. Additionally, a new statistical inference analysis compares different trial recurrence plots with corresponding surrogates to obtain statistically significant recurrent structures. This combination of methods is validated by applying it to two artificial datasets. In a final study of visually-evoked Local Field Potentials in partially anesthetized ferrets, the methodology is able to reveal recurrence structures of neural responses with trial-to-trial variability. Focusing on different frequency bands, the δ-band activity is much less recurrent than α-band activity. Moreover, α-activity is susceptible to pre-stimuli, while δ-activity is much less sensitive to pre-stimuli. This difference in recurrence structures in different frequency bands indicates diverse underlying information processing steps in the brain. PMID:26834580

Oceanic transform faults: how and why do they form? (Invited)

NASA Astrophysics Data System (ADS)

Gerya, T.

2013-12-01

Oceanic transform faults at mid-ocean ridges are often considered to be the direct product of plate breakup process (cf. review by Gerya, 2012). In contrast, recent 3D thermomechanical numerical models suggest that transform faults are plate growth structures, which develop gradually on a timescale of few millions years (Gerya, 2010, 2013a,b). Four subsequent stages are predicted for the transition from rifting to spreading (Gerya, 2013b): (1) crustal rifting, (2) multiple spreading centers nucleation and propagation, (3) proto-transform faults initiation and rotation and (4) mature ridge-transform spreading. Geometry of the mature ridge-transform system is governed by geometrical requirements for simultaneous accretion and displacement of new plate material within two offset spreading centers connected by a sustaining rheologically weak transform fault. According to these requirements, the characteristic spreading-parallel orientation of oceanic transform faults is the only thermomechanically consistent steady state orientation. Comparison of modeling results with the Woodlark Basin suggests that the development of this incipient spreading region (Taylor et al., 2009) closely matches numerical predictions (Gerya, 2013b). Model reproduces well characteristic 'rounded' contours of the spreading centers as well as the presence of a remnant of the broken continental crustal bridge observed in the Woodlark basin. Similarly to the model, the Moresby (proto)transform terminates in the oceanic rather than in the continental crust. Transform margins and truncated tip of one spreading center present in the model are documented in nature. In addition, numerical experiments suggest that transform faults can develop gradually at mature linear mid-ocean ridges as the result of dynamical instability (Gerya, 2010). Boundary instability from asymmetric plate growth can spontaneously start in alternate directions along successive ridge sections; the resultant curved ridges become transform faults. Offsets along the transform faults change continuously with time by asymmetric plate growth and discontinuously by ridge jumps. The ridge instability is governed by rheological weakening of active fault structures. The instability is most efficient for slow to intermediate spreading rates, whereas ultraslow and (ultra)fast spreading rates tend to destabilize transform faults (Gerya, 2010; Püthe and Gerya, 2013) References Gerya, T. (2010) Dynamical instability produces transform faults at mid-ocean ridges. Science, 329, 1047-1050. Gerya, T. (2012) Origin and models of oceanic transform faults. Tectonophys., 522-523, 34-56 Gerya, T.V. (2013a) Three-dimensional thermomechanical modeling of oceanic spreading initiation and evolution. Phys. Earth Planet. Interiors, 214, 35-52. Gerya, T.V. (2013b) Initiation of transform faults at rifted continental margins: 3D petrological-thermomechanical modeling and comparison to the Woodlark Basin. Petrology, 21, 1-10. Püthe, C., Gerya, T.V. (2013) Dependence of mid-ocean ridge morphology on spreading rate in numerical 3-D models. Gondwana Res., DOI: http://dx.doi.org/10.1016/j.gr.2013.04.005 Taylor, B., Goodliffe, A., Martinez, F. (2009) Initiation of transform faults at rifted continental margins. Comptes Rendus Geosci., 341, 428-438.

Conformal structure of massless scalar amplitudes beyond tree level

NASA Astrophysics Data System (ADS)

Banerjee, Nabamita; Banerjee, Shamik; Bhatkar, Sayali Atul; Jain, Sachin

2018-04-01

We show that the one-loop on-shell four-point scattering amplitude of massless ϕ 4 scalar field theory in 4D Minkowski space time, when Mellin transformed to the Celestial sphere at infinity, transforms covariantly under the global conformal group (SL(2, ℂ)) on the sphere. The unitarity of the four-point scalar amplitudes is recast into this Mellin basis. We show that the same conformal structure also appears for the two-loop Mellin amplitude. Finally we comment on some universal structure for all loop four-point Mellin amplitudes specific to this theory.

Characteristics and Antitumor Activity of Morchella esculenta Polysaccharide Extracted by Pulsed Electric Field

PubMed Central

Liu, Chao; Sun, Yonghai; Mao, Qian; Guo, Xiaolei; Li, Peng; Liu, Yang; Xu, Na

2016-01-01

Polysaccharides from Morchella esculenta have been proven to be functional and helpful for humans. The purpose of this study was to investigate the chemical structure and anti-proliferating and antitumor activities of a Morchella esculenta polysaccharide (MEP) extracted by pulsed electric field (PEF) in submerged fermentation. The endo-polysaccharide was separated and purified by column chromatography and Gel permeation chromatography, and analyzed by gas chromatography. The MEP with an average molecular weight of 81,835 Da consisted of xylose, glucose, mannose, rhamnose and galactose at the ratio of 5.4:5.0:6.5:7.8:72.3. Structure of MEP was further analyzed by Fourier-transform infrared spectroscopy and 1H and 13C liquid-state nuclear magnetic resonance spectroscopy. Apoptosis tests proved that MEP could inhibit the proliferation and growth of human colon cancer HT-29 cells in a time- and dose-dependent manner within 48 h. This study provides more information on chemical structure of anti-proliferating polysaccharides isolated from Morchella esculenta. PMID:27338370

Imaging the Hydrogen Absorption Dynamics of Individual Grains in Polycrystalline Palladium Thin Films in 3D

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

Yau, Allison; Harder, Ross J.; Kanan, Matthew W.

Defects such as dislocations and grain boundaries often control the properties of polycrystalline materials. In nanocrystalline materials, investigating this structure-function relationship while preserving the sample remains challenging because of the short length scales and buried interfaces involved. Here we use Bragg coherent diffractive imaging to investigate the role of structural inhomogeneity on the hydriding phase transformation dynamics of individual Pd grains in polycrystalline films in three-dimensional detail. In contrast to previous reports on single- and polycrystalline nanoparticles, we observe no evidence of a hydrogen-rich surface layer and consequently no size dependence in the hydriding phase transformation pressure over a 125-325more » nm size range. We do observe interesting grain boundary dynamics, including reversible rotations of grain lattices while the material remains in the hydrogen-poor phase. The mobility of the grain boundaries, combined with the lack of a hydrogen-rich surface layer, suggests that the grain boundaries are acting as fast diffusion sites for the hydrogen atoms. Such hydrogen-enhanced plasticity in the hydrogen poor phase provides insight into the switch from the size-dependent behavior of single-crystal nanoparticles to the lower transformation pressures of polycrystalline materials and may play a role in hydrogen embrittlement.« less

The comparison study among several data transformations in autoregressive modeling

NASA Astrophysics Data System (ADS)

Setiyowati, Susi; Waluyo, Ramdhani Try

2015-12-01

In finance, the adjusted close of stocks are used to observe the performance of a company. The extreme prices, which may increase or decrease drastically, are often become particular concerned since it can impact to bankruptcy. As preventing action, the investors have to observe the future (forecasting) stock prices comprehensively. For that purpose, time series analysis could be one of statistical methods that can be implemented, for both stationary and non-stationary processes. Since the variability process of stocks prices tend to large and also most of time the extreme values are always exist, then it is necessary to do data transformation so that the time series models, i.e. autoregressive model, could be applied appropriately. One of popular data transformation in finance is return model, in addition to ratio of logarithm and some others Tukey ladder transformation. In this paper these transformations are applied to AR stationary models and non-stationary ARCH and GARCH models through some simulations with varying parameters. As results, this work present the suggestion table that shows transformations behavior for some condition of parameters and models. It is confirmed that the better transformation is obtained, depends on type of data distributions. In other hands, the parameter conditions term give significant influence either.

Evolution of molecular crystal optical phonons near structural phase transitions

NASA Astrophysics Data System (ADS)

Michki, Nigel; Niessen, Katherine; Xu, Mengyang; Markelz, Andrea

Molecular crystals are increasingly important photonic and electronic materials. For example organic semiconductors are lightweight compared to inorganic semiconductors and have inexpensive scale up processing with roll to roll printing. However their implementation is limited by their environmental sensitivity, in part arising from the weak intermolecular interactions of the crystal. These weak interactions result in optical phonons in the terahertz frequency range. We examine the evolution of intermolecular interactions near structural phase transitions by measuring the optical phonons as a function of temperature and crystal orientation using terahertz time-domain spectroscopy. The measured orientation dependence of the resonances provides an additional constraint for comparison of the observed spectra with the density functional calculations, enabling us to follow specific phonon modes. We observe crystal reorganization near 350 K for oxalic acid as it transforms from dihydrate to anhydrous form. We also report the first THz spectra for the molecular crystal fructose through its melting point.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, Fred F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ∼4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD).

A High-Performance Cellular Automaton Model of Tumor Growth with Dynamically Growing Domains

PubMed Central

Poleszczuk, Jan; Enderling, Heiko

2014-01-01

Tumor growth from a single transformed cancer cell up to a clinically apparent mass spans many spatial and temporal orders of magnitude. Implementation of cellular automata simulations of such tumor growth can be straightforward but computing performance often counterbalances simplicity. Computationally convenient simulation times can be achieved by choosing appropriate data structures, memory and cell handling as well as domain setup. We propose a cellular automaton model of tumor growth with a domain that expands dynamically as the tumor population increases. We discuss memory access, data structures and implementation techniques that yield high-performance multi-scale Monte Carlo simulations of tumor growth. We discuss tumor properties that favor the proposed high-performance design and present simulation results of the tumor growth model. We estimate to which parameters the model is the most sensitive, and show that tumor volume depends on a number of parameters in a non-monotonic manner. PMID:25346862

Comparing efficacy of different taxonomic resolutions and surrogates in detecting changes in soft bottom assemblages due to coastal defence structures.

PubMed

Bertasi, Fabio; Colangelo, Marina Antonia; Colosio, Francesco; Gregorio, Gianni; Abbiati, Marco; Ceccherelli, Victor Ugo

2009-05-01

Sandy shores on the West coast of the North Adriatic Sea are extensively protected by different types of defence structures to prevent coastal erosion. Coastal defence schemes modify the hydrodynamic regime, the sediment structure and composition thus affecting the benthic assemblages. This study examines the effectiveness in detecting changes in soft bottom assemblages caused by coastal defence structures by using different levels of taxonomic resolution, polychaetes and/or bivalves as surrogates and different data transformations. A synoptic analyses of three datasets of subtidal benthic macrofauna used in studies aimed at assessing the impact of breakwaters along the North Adriatic coast has been done. Analyses of similarities and correlations between distance matrices were done using matrices with different levels of taxonomic resolution, and with polychaetes or bivalves data alone. Lentidium mediterraneum was the most abundant species in all datasets. Its abundance was not consistently related to the presence of defence structures. Moreover, distribution patterns of L. mediterraneum were masking the structure of the whole macrofaunal assemblages. Removal of L. mediterraneum from the datasets allowed the detection of changes in benthic assemblages due to coastal defences. Analyses on different levels of taxonomic resolution showed that the level of family maintained sufficient information to detect the impacts of coastal defence structures on benthic assemblages. Moreover, the outcomes depended on the transformation used. Patterns of distribution of bivalves, used as surrogates, showed low correlations with the patterns of the total macrofaunal species assemblages. Patterns of polychaetes, if identified to the species or genus level showed higher correlations with the whole dataset. However, the identification of polychaetes to species and genus level is as costly as the identification of all macrobenthic taxa at family level. This study provided additional evidences that taxonomic sufficiency is a useful tool in environmental monitoring, also in investigations on the impacts of coastal defence structures on subtidal macrofauna. The use of coarser taxonomic level, being time-efficient, would allow improving sampling designs of monitoring programs by increasing replication in space and time and by allowing long term monitoring studies.

Synthesis and structural characterization of CdS nanoparticles

NASA Astrophysics Data System (ADS)

Kotkata, M. F.; Masoud, A. E.; Mohamed, M. B.; Mahmoud, E. A.

2009-08-01

Amorphous CdS nanoparticles capped with cetyltrimethyl ammonium bromide (CTAB) were synthesised under various conditions using a coprecipitation method. A blue shift in the band gap was observed in the UV-visible absorption spectra indicating the formation of nanoparticles of an approximate size of 8 nm. The recorded transmission electron micrographs confirmed this result. The phase-nature, phase transformation as well as the structure of the synthesised CdS nanoparticles have been extensively characterized using X-ray diffraction (XRD), radial distribution function (RDF), differential scanning calorimetry (DSC), Fourier transform infrared (FT-IR), Raman scattering (RS) and/or heat stage X-ray diffraction (HSXRD). Analysis of the obtained results revealed that the synthesised amorphous CdS nanoparticles could be transformed into CdS nanocrystals having a zinc blende or a wurtzite structure, relying on the applied heat treatment scheme. The rate of nanocrystal growth depends on the aging period, prior filtering the reacted materials, and its relation to the quality of the capping process. Five days aging period tends to enhance the stability of the grown phase with a remarkable surface stability.

Large Signal Time Dependent Quantum Mechanical Transport in Quantum Phase Based Devices

DTIC Science & Technology

1994-06-10

tansport ths spatial dependence suggests equilibrium electron temperature values that difer fr•m the ambient. The prospect of quantum heMing and cooling...the factor 21 is a consequence of the defintion of the nionlocal coordinate (wen eqn (7)]. In this transformation it APPENDIX C is asserted that the

Structural and electronic transformations in substituted La-Sr manganites depending on cations and oxygen content

NASA Astrophysics Data System (ADS)

Karpasyuk, Vladimir; Badelin, Alexey; Merkulov, Denis; Derzhavin, Igor; Estemirova, Svetlana

2018-05-01

In the present research experimental data are obtained for the Jahn-Teller O‧ phase formation, phase transformation "orthorhombic-rhombohedral structure" and the change of the conductance type in the systems of manganites La3+1-c+xSr2+c-xMn3+1-c-x-2γMn4+c+2γZn2+xO3+γ, La3+1-c-xSr2+c+xMn3+1-c-x-2γMn4+c+2γGe4+xO3+γ, La3+1-cSr2+cMn3+1-x-c-2γMn4+c+2γ(Zn2+0.5Ge4+0.5)xO3+γ, where Mn4+ ions concentration is independent of "x". Ceramic samples were sintered in air at 1473 K. As-sintered samples had an excess of oxygen content. In order to provide stoichiometric oxygen content, the samples were annealed at 1223 K and partial pressure of oxygen PO2 = 10-1 Pа. Structural characteristics of the O‧ phase were obtained. The position of the phase boundary "orthorhombic-rhombohedral structure" and the temperature of the conductance type change depending on the cation composition of manganites and oxygen content were determined. Possible approaches to the interpretation of experimental results were suggested.

Spontaneous and persistent currents in superconductive and mesoscopic structures (Review)

NASA Astrophysics Data System (ADS)

Kulik, I. O.

2004-07-01

We briefly review aspects of superconductive persistent currents in Josephson junctions of the S/I/S, S/O/S and S/N/S types, focusing on the origin of jumps in the current versus phase dependences, and discuss in more detail the persistent and the "spontaneous" currents in Aharonov-Bohm mesoscopic and nanoscopic (macromolecular) structures. A fixed-number-of-electrons mesoscopic or macromolecular conducting ring is shown to be unstable against structural transformation removing spatial symmetry (in particular, azimuthal periodicity) of its electron-lattice Hamiltonian. In the case when the transformation is blocked by strong coupling to an external azimuthally symmetric environment, the system becomes bistable in its electronic configuration at a certain number of electrons. Under such a condition, the persistent current has a nonzero value even at an (almost) zero applied Aharonov-Bohm flux and results in very high magnetic susceptibility dM/dH at small nonzero fields, followed by an oscillatory dependence at larger fields. We tentatively assume that previously observed oscillatory magnetization in cyclic metallo-organic molecules by Gatteschi et al. can be attributed to persistent currents. If this proves correct, it may present an opportunity for (and, more generally, macromolecular cyclic structures may suggest the possibility of) engineering quantum computational tools based on the Aharonov-Bohm effect in ballistic nanostructures and macromolecular cyclic aggregates.

The effect of crystal structure of TiO2 nanotubes on the formation of calcium phosphate coatings during biomimetic deposition

NASA Astrophysics Data System (ADS)

Liu, Yi; Kim, Sun; McLeod, John A.; Li, Jun; Guo, Xiaoxuan; Sham, Tsun-Kong; Liu, Lijia

2017-02-01

The crystallization process of bioactive calcium phosphate (CaP) species via biomimetic deposition onto anodic TiO2 nanotubes is investigated. The porous surface of nanostructured TiO2 provides an ideal substrate for CaP crystallization. The compositions of CaP coatings are studied using X-ray absorption near-edge structures (XANES) at the Ca K-edge. Using detection modes with different probing depths, both the surface of the CaP coating and the CaP-TiO2 interface are simultaneously analyzed. Calcium phosphate (CaP) species, such as hydroxyapatite (HAp), octacalcium phosphate (Ca8(HPO4)2(PO4)4·5H2O, OCP), brushite (CaHPO4·2H2O, DCPD), and amorphous calcium phosphate (ACP), are found in the CaP coatings. TiO2 nanotubes of amorphous and anatase phases are comparatively studied to determine their effect on the efficiency of CaP formation and the phase transformation among CaP species in prolonged deposition time. It is found the composition of CaP coating has a strong dependency on the crystal structure of TiO2 substrate and the kinetics (deposition time).

A model of VDAC structural rearrangement in the presence of a salt activity gradient

NASA Astrophysics Data System (ADS)

Levadny, Victor; Colombini, Marco; Aguilella, Vicente M.

2001-11-01

We have considered the structural transformations of a voltage dependent anion-selective channel (VDAC) known as `gating'. We analysed the redistribution of VDAC among its states. The difference in electrostatic energy between the trans-closed and cis-closed states of VDAC is shown to be the cause of changes in the voltage dependence of the gating in the presence of a salt activity gradient. The asymmetry in the voltage dependence of the open probability about zero millivolts was connected with the apparent location of the voltage sensor. The theory describes the experimental data satisfactorily and explains the nature of the shift of the probability curve as well as the differences found in the asymmetry of the curve for different salts.

Studies on the controllable transformation of ferrihydrite

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

Liu Hui, E-mail: liuhuicn@126.co; Ma, Miaorui; Qin, Mei

2010-09-15

Ferrihydrite was prepared by two different procedures. Ferrihydrite-1 was prepared by dropping NaOH solution into Fe(III) solution. Ferrihydrite-2 was prepared by adding Fe(III) and NaOH solutions into a certain volume of water simultaneously. Our earlier results obtained at {approx}100 {sup o}C have shown that the structure of ferrihydrite-2 favors its solid state transformation mechanism. Further research reveals that the structure of ferrihydrite-2 favors its dissolution re-crystallization mechanism at a temperature of {<=}60 {sup o}C. Based on the transformation mechanism of ferrihydrite at different temperatures, the controllable transformation from ferrihydrite to various iron (hydr)oxides such as lepidocrocite, goethite, hematite and magnetitemore » can be achieved by adjusting the pH, transformation temperature, transformation time, the amount of Fe(II) as well as the preparation procedures of ferrihydrite. The results in the present paper give a nice example that the transformation of a precursor can be controlled with the help of mechanism. - Graphical abstract: The transformations from ferrihydrite to lepidocrocite, goethite, hematite or magnetite can be controlled with the help of mechanism.« less

Crystallization of Synthetic Blast Furnace Slags Pertaining to Heat Recovery

NASA Astrophysics Data System (ADS)

Esfahani, Shaghayegh

Heat recovery from blast furnace slags is often contradicted by another requirement, to generate amorphous slag for its use in cement production. As both the rate and extent of heat recovery and slag structure are determined by its cooling rate, a relation between the crystallization kinetics and the cooling conditions is highly desired. In this study, CaO-SiO2-Al2O3-MgO (CSAM) slags with different basicities were studied by Single Hot Thermocouple Technique (SHTT) during isothermal treatment and non-isothermal cooling. Their time-temperature-transformation (TTT) and continuous-cooling-transformation (CCT) diagrams were plotted and compared with each other. Furthermore, kinetic parameters such as the Avrami exponent (n), rate coefficient (K) and effective activation energy of crystallization (EA) were found by analysis of data obtained from in-situ observation of glassy to crystalline transformation and image analysis. Also, the dependence of nucleation and growth rates of crystalline phases were quantified as a function of time, temperature, and slag basicity. Together with the observations of crystallization front, they facilitated establishing the dominant mechanisms of crystallization. In addition to the experimental work, a mathematical model was developed and validated that predicts the amount of crystallization during cooling. A second mathematical model that calculates temperature history of slag during its cooling was coupled with the above model, to allow studying the effect of parameters such as the slag/air ratio and granule size on the heat recovery and glass content of slag.

Study of the changes in the magnetic properties of stainless steels under mechanical treatment

NASA Astrophysics Data System (ADS)

Iankov, R.; Rusanov, V.; Paneva, D.; Mitov, I.; Trautwein, A. X.

2016-12-01

Six types of stainless steels (SS) were studied for changes in its structure and magnetic properties under mechanical treatment. Depending on intensity and duration of the process of plastic deformation and the SS type the paramagnetic austenite structure transforms partially to completely into ferrite structure with ferromagnetic behaviour. Some of the SS tested were found slightly modified yet in the process of its manufacturing. Only one SS type with high Ni content preserved its structure and paramagnetic properties even after very intense mechanical treatment.

Graphene as a nanocarrier for tamoxifen induces apoptosis in transformed cancer cell lines of different origins.

PubMed

Misra, Santosh K; Kondaiah, Paturu; Bhattacharya, Santanu; Rao, C N R

2012-01-09

A cationic amphiphile, cholest-5en-3β-oxyethyl pyridinium bromide (PY(+) -Chol), is able to efficiently disperse exfoliated graphene (GR) in water by the physical adsorption of PY(+) -Chol on the surface of GR to form stable, dark aqueous suspensions at room temperature. The GR-PY(+) -Chol suspension can then be used to solubilize Tamoxifen Citrate (TmC), a breast cancer drug, in water. The resulting TmC-GR-PY(+) -Chol is stable for a long time without any precipitation. Fluorescence emission and UV absorption spectra indicate the existence of noncovalent interactions between TmC, GR, and PY(+) -Chol in these suspensions. Electron microscopy shows the existence of segregated GR sheets and TmC 'ribbons' in the composite suspensions. Atomic force microscopy indicates the presence of 'extended' structures of GR-PY(+) -Chol, which grows wider in the presence of TmC. The slow time-dependent release of TmC is noticed in a reconstituted cell culture medium, a property useful as a drug carrier. TmC-GR-PY(+) -Chol selectively enhanced the cell death (apoptosis) of the transformed cancer cells compared to normal cells. This potency is found to be true for a wide range of transformed cancer cells viz. HeLa, A549, ras oncogene-transformed NIH3T3, HepG2, MDA-MB231, MCF-7, and HEK293T compared to the normal cell HEK293 in vitro. Confocal microscopy confirmed the high efficiency of TmC-GR-PY(+) -Chol in delivering the drug to the cells, compared to the suspensions devoid of GR. Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Phase transformation of dental zirconia following artificial aging.

PubMed

Lucas, Thomas J; Lawson, Nathaniel C; Janowski, Gregg M; Burgess, John O

2015-10-01

Low-temperature degradation (LTD) of yttria-stabilized zirconia can produce increased surface roughness with a concomitant decrease in strength. This study determined the effectiveness of artificial aging (prolonged boiling/autoclaving) to induce LTD of Y-TZP (yttria-tetragonal zirconia-polycrystals) and used artificial aging for transformation depth progression analyses. The null hypothesis is aging techniques tested produce the same amount of transformation, transformation is not time/temperature dependent and LTD causes a constant transformation throughout the Y-TZP samples. Dental-grade Y-TZP samples were randomly divided into nine subgroups (n = 5): as received, 3.5 and 7 day boiling, 1 bar autoclave (1, 3, 5 h), and 2 bar autoclave (1, 3, 5 h). A 4-h boil treatment (n = 2) was performed post-experiment for completion of data. Transformation was measured using traditional X-ray diffraction and low-angle X-ray diffraction. The fraction of t → m transformation increased with aging time. The 3.5 day boil and 2 bar 5 h autoclave produced similar transformation results, while the 7 day boiling treatment revealed the greatest transformation. The surface layer of the aged specimen underwent the most transformation while all samples displayed decreasing transformation with depth. Surface transformation was evident, which can lead to rougher surfaces and increased wear of opposing dentition/materials. Therefore, wear studies addressing LTD of Y-TZP are needed utilizing accelerated aging. © 2014 Wiley Periodicals, Inc.

Role of Hydrogen Bonding on Nonlinear Mechano-Optical Behavior of L-Phenylalanine-based Poly(ester urea)s.

NASA Astrophysics Data System (ADS)

Chen, Keke; Yu, Jiayi; Guzman, Gustavo; Es-Haghi, S. Shams; Becker, Matthew L.; Cakmak, Miko

The uniaxial mechano-optical behavior of a series of amorphous L-phenylalanine-based poly(ester urea) (PEU) films was studied in the rubbery state using a custom real-time measurement system. When the materials were subjected to deformation at temperatures near the glass transition temperature (Tg) , the photoelastic behavior was manifested by a small increase in birefringence with a significant increase in true stress. At temperatures above Tg, PEUs with a shorter diol chain length exhibited a liquid-liquid (Tll) transition at about 1.06 Tg (K), above which the material transforms from a heterogeneous ``liquid of fixed-structure'' to a ``true liquid'' state. The initial photoelastic behavior disappears with increasing temperature, as the initial slope of the stress optical curves becomes temperature independent. Fourier transform infrared spectra of PEUs revealed that the average strength of hydrogen bonding diminishes with increasing temperature. For PEUs with the longest diol chain length, the area associated with N-H stretching region exhibits a linear temperature dependence. The presence of hydrogen bonding enhances the ``stiff'' segmental correlations between adjacent chains in the PEU structure. As a result, the photoelastic constant decreases with increasing hydrogen bonding strength. This work was supported by the Ohio Department of Development's Innovation Platform Program and The National Science Foundation.

Direct Observation of the Thickness-Induced Crystallization and Stress Build-Up during Sputter-Deposition of Nanoscale Silicide Films.

PubMed

Krause, Bärbel; Abadias, Gregory; Michel, Anny; Wochner, Peter; Ibrahimkutty, Shyjumon; Baumbach, Tilo

2016-12-21

The kinetics of phase transitions during formation of small-scale systems are essential for many applications. However, their experimental observation remains challenging, making it difficult to elucidate the underlying fundamental mechanisms. Here, we combine in situ and real-time synchrotron X-ray diffraction (XRD) and X-ray reflectivity (XRR) experiments with substrate curvature measurements during deposition of nanoscale Mo and Mo 1-x Si x films on amorphous Si (a-Si). The simultaneous measurements provide direct evidence of a spontaneous, thickness-dependent amorphous-to-crystalline (a-c) phase transition, associated with tensile stress build-up and surface roughening. This phase transformation is thermodynamically driven, the metastable amorphous layer being initially stabilized by the contributions of surface and interface energies. A quantitative analysis of the XRD data, complemented by simulations of the transformation kinetics, unveils an interface-controlled crystallization process. This a-c phase transition is also dominating the stress evolution. While stress build-up can significantly limit the performance of devices based on nanostructures and thin films, it can also trigger the formation of these structures. The simultaneous in situ access to the stress signal itself, and to its microstructural origins during structure formation, opens new design routes for tailoring nanoscale devices.

Relaxor ferroelectricity and electric-field-driven structural transformation in the giant lead-free piezoelectric (Ba ,Ca ) (Ti ,Zr ) O3

NASA Astrophysics Data System (ADS)

Brajesh, Kumar; Tanwar, Khagesh; Abebe, Mulualem; Ranjan, Rajeev

2015-12-01

There is great interest in lead-free (B a0.85C a0.15 ) (T i0.90Z r0.10 ) O3 (15/10BCTZ) because of its exceptionally large piezoelectric response [Liu and Ren, Phys. Rev. Lett. 103, 257602 (2009), 10.1103/PhysRevLett.103.257602]. In this paper, we have analyzed the nature of: (i) crystallographic phase coexistence at room temperature, (ii) temperature- and field-induced phase transformation to throw light on the atomistic mechanisms associated with the large piezoelectric response of this system. A detailed temperature-dependent dielectric and lattice thermal expansion study proved that the system exhibits a weak dielectric relaxation, characteristic of a relaxor ferroelectric material on the verge of exhibiting a normal ferroelectric-paraelectric transformation. Careful structural analysis revealed that a ferroelectric state at room temperature is composed of three phase coexistences, tetragonal (P 4 m m )+ orthorhombic(Amm 2 )+rhombohedral(R 3 m ) . We also demonstrate that the giant piezoresponse is associated with a significant fraction of the tetragonal phase transforming to rhombohedral. It is argued that the polar nanoregions associated with relaxor ferroelectricity amplify the piezoresponse by providing an additional degree of intrinsic structural inhomogeneity to the system.

In- Situ Synchrotron Diffraction Studies on Transformation Strain Development in a High-Strength Quenched and Tempered Structural Steel—Part II. Martensitic Transformation

NASA Astrophysics Data System (ADS)

Dutta, R. K.; Huizenga, R. M.; Petrov, R. H.; Amirthalingam, M.; King, A.; Gao, H.; Hermans, M. J. M.; Richardson, I. M.

2014-01-01

In-situ synchrotron diffraction studies on the kinetics of phase transformation and transformation strain development during bainitic transformation were presented in part I of the current article. In the current article, in-situ phase transformation behavior of a high-strength (830 MPa yield stress) quenched and tempered S690QL1 [Fe-0.16C-0.2Si-0.87Mn-0.33Cr-0.21Mo (wt. pct)] structural steel, during continuous cooling and under different mechanical loading conditions to promote martensitic transformation, has been studied. Time-temperature-load resolved 2D synchrotron diffraction patterns were recorded and used to calculate the phase fractions and lattice parameters of the phases during heating and cooling cycles under different loading conditions. In addition to the thermal expansion behavior, the effects of the applied stress on the elastic strains during the martensitic transformation were calculated. The results show that small tensile stresses applied at the transformation temperature do not change the kinetics of the phase transformation. The start temperature for the martensitic transformation increases with the increasing applied tensile stress. The elastic strains are not affected significantly with the increasing tensile stress. The variant selection during martensitic transformation under small applied loads (in the elastic region) is weak.

Bayesian transformation cure frailty models with multivariate failure time data.

PubMed

Yin, Guosheng

2008-12-10

We propose a class of transformation cure frailty models to accommodate a survival fraction in multivariate failure time data. Established through a general power transformation, this family of cure frailty models includes the proportional hazards and the proportional odds modeling structures as two special cases. Within the Bayesian paradigm, we obtain the joint posterior distribution and the corresponding full conditional distributions of the model parameters for the implementation of Gibbs sampling. Model selection is based on the conditional predictive ordinate statistic and deviance information criterion. As an illustration, we apply the proposed method to a real data set from dentistry.

Quantum and classical dissipation of charged particles

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

Ibarra-Sierra, V.G.; Anzaldo-Meneses, A.; Cardoso, J.L.

2013-08-15

A Hamiltonian approach is presented to study the two dimensional motion of damped electric charges in time dependent electromagnetic fields. The classical and the corresponding quantum mechanical problems are solved for particular cases using canonical transformations applied to Hamiltonians for a particle with variable mass. Green’s function is constructed and, from it, the motion of a Gaussian wave packet is studied in detail. -- Highlights: •Hamiltonian of a damped charged particle in time dependent electromagnetic fields. •Exact Green’s function of a charged particle in time dependent electromagnetic fields. •Time evolution of a Gaussian wave packet of a damped charged particle.more » •Classical and quantum dynamics of a damped electric charge.« less

Modelling of subsonic COIL with an arbitrary magnetic modulation

NASA Astrophysics Data System (ADS)

Beránek, Jaroslav; Rohlena, Karel

2007-05-01

The concept of 1D subsonic COIL model with a mixing length was generalized to include the influence of a variable magnetic field on the stimulated emission cross-section. Equations describing the chemical kinetics were solved taking into account together with the gas temperature also a simplified mixing model of oxygen and iodine molecules. With the external time variable magnetic field the model is no longer stationary. A transformation in the system moving with the mixture reduces partial differential equations to ordinary equations in time with initial conditions given either by the stationary flow at the moment when the magnetic field is switched on combined with the boundary conditions at the injector. Advantage of this procedure is a possibility to consider an arbitrary temporal dependence of the imposed magnetic field and to calculate directly the response of the laser output. The method was applied to model the experimental data measured with the subsonic version of the COIL device in the Institute of Physics, Prague, where the applied magnetic field had a saw-tooth dependence. We found that various values characterizing the laser performance, such as the power density distribution over the active zone cross-section, may have a fairly complicated structure given by combined effects of the delayed reaction to the magnetic switching and the flow velocity. This is necessarily translated in a time dependent spatial inhomogeneity of output beam intensity profile.

Effects of a petunia scaffold/matrix attachment region on copy number dependency and stability of transgene expression in Nicotiana tabacum.

PubMed

Dietz-Pfeilstetter, Antje; Arndt, Nicola; Manske, Ulrike

2016-04-01

Transgenes in genetically modified plants are often not reliably expressed during development or in subsequent generations. Transcriptional gene silencing (TGS) as well as post-transcriptional gene silencing (PTGS) have been shown to occur in transgenic plants depending on integration pattern, copy number and integration site. In an effort to reduce position effects, to prevent read-through transcription and to provide a more accessible chromatin structure, a P35S-ß-glucuronidase (P35S-gus) transgene flanked by a scaffold/matrix attachment region from petunia (Petun-SAR), was introduced in Nicotiana tabacum plants by Agrobacterium tumefaciens mediated transformation. It was found that Petun-SAR mediates enhanced expression and copy number dependency up to 2 gene copies, but did not prevent gene silencing in transformants with multiple and rearranged gene copies. However, in contrast to the non-SAR transformants where silencing was irreversible and proceeded during long-term vegetative propagation and in progeny plants, gus expression in Petun-SAR plants was re-established in the course of development. Gene silencing was not necessarily accompanied by DNA methylation, while the gus transgene could still be expressed despite considerable CG methylation within the coding region.

Crystallographic and magnetic structure of HAVAR under high-pressure using diamond anvil cell (DAC)

NASA Astrophysics Data System (ADS)

Halevy, Itzhak; Haroush, Shlomo; Eisen, Yosef; Silberman, Ido; Moreno, Dany; Hen, Amir; Winterrose, Mike L.; Ghose, Sanjit; Chen, Zhiqiang

2010-04-01

Annealed (H1) and cold-rolled (H2) HAVAR has been studied using high-pressure synchrotron X-ray diffraction. A structural phase transformation was discovered at ˜13 GPa at ambient temperature, transforming from m - 3 m (S.G. 225) to P 63/m m c (S.G. 194) symmetry. The transition was not reversible on pressure release. The low-pressure cubic phase was found to be more compressible than the high-pressure hexagonal phase. Conventional Mössbauer and NFS shows that the HAVAR is not magnetic at room temperature and no splitting is observed. The SQUID indicates a huge difference in the temperature dependence of the magnetic susceptibility between the cold Rolled HAVAR compared to the annealed HAVAR.

Two-dimensional fourier transform spectrometer

DOEpatents

DeFlores, Lauren; Tokmakoff, Andrei

2016-10-25

The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

Two-dimensional fourier transform spectrometer

DOEpatents

DeFlores, Lauren; Tokmakoff, Andrei

2013-09-03

The present invention relates to a system and methods for acquiring two-dimensional Fourier transform (2D FT) spectra. Overlap of a collinear pulse pair and probe induce a molecular response which is collected by spectral dispersion of the signal modulated probe beam. Simultaneous collection of the molecular response, pulse timing and characteristics permit real time phasing and rapid acquisition of spectra. Full spectra are acquired as a function of pulse pair timings and numerically transformed to achieve the full frequency-frequency spectrum. This method demonstrates the ability to acquire information on molecular dynamics, couplings and structure in a simple apparatus. Multi-dimensional methods can be used for diagnostic and analytical measurements in the biological, biomedical, and chemical fields.

Transforming Professional Healthcare Narratives into Structured Game-Informed-Learning Activities

ERIC Educational Resources Information Center

Begg, Michael; Ellaway, Rachel; Dewhurst, David; Macleod, Hamish

2007-01-01

Noting the dependency of healthcare education on practice-based learning, Michael Begg, Rachel Ellaway, David Dewhurst, and Hamish Macleod suggest that creating a virtual clinical setting for students to interact with virtual patients can begin to address educational demands for clinical experience. They argue that virtual patient simulations that…

Topological Transformation of Defects in Nematic Liquid Crystals

NASA Astrophysics Data System (ADS)

Pagel, Zachary; Atherton, Timothy; Guasto, Jeffrey; Cebe, Peggy

A topological transformation around silica microsphere inclusions in nematic liquid crystal cells (LCC) is experimentally studied. Silica microspheres are coated to induce homeotropic LC anchoring to the spheres. Parallel rub directions of the alignment polymer during LCC construction create a splay wall that traps the microspheres. Application of an out-of-plane electric field then permits a transformation of hedgehog defects, reversing the orientation of the defect around microspheres. The transformation controllably reverses the microsphere's direction of travel during AC electrophoresis due to defect-dependent velocity anisotropy. A similar transformation is studied on chains of microspheres with hedgehog defects, where the defect orientation is reversed on the entire chain. Polarized and confocal microscopies are used to study the defect structures. Results contribute to recent developments in microsphere electrokinetics in nematic LCs, as the transformation adds an additional degree of control in the electrophoretic motion of microspheres and chains of microspheres with dipolar defects. The author thanks NSF Grant DMR-1608126 for funding reseearch and Tufts University for funding travel.

Soliton structure versus singularity analysis: Third-order completely intergrable nonlinear differential equations in 1 + 1-dimensions

NASA Astrophysics Data System (ADS)

Fuchssteiner, Benno; Carillo, Sandra

1989-01-01

Bäcklund transformations between all known completely integrable third-order differential equations in (1 + 1)-dimensions are established and the corresponding transformations formulas for their hereditary operators and Hamiltonian formulations are exhibited. Some of these Bäcklund transformations are not injective; therefore additional non-commutative symmetry groups are found for some equations. These non-commutative symmetry groups are classified as having a semisimple part isomorphic to the affine algebra A(1)1. New completely integrable third-order integro-differential equations, some depending explicitly on x, are given. These new equations give rise to nonin equation. Connections between the singularity equations (from the Painlevé analysis) and the nonlinear equations for interacting solitons are established. A common approach to singularity analysis and soliton structure is introduced. The Painlevé analysis is modified in such a sense that it carries over directly and without difficulty to the time evolution of singularity manifolds of equations like the sine-Gordon and nonlinear Schrödinger equation. A method to recover the Painlevé series from its constant level term is exhibit. The soliton-singularity transform is recognized to be connected to the Möbius group. This gives rise to a Darboux-like result for the spectral properties of the recursion operator. These connections are used in order to explain why poles of soliton equations move like trajectories of interacting solitons. Furthermore it is explicitly computed how solitons of singularity equations behave under the effect of this soliton-singularity transform. This then leads to the result that only for scaling degrees α = -1 and α = -2 the usual Painlevé analysis can be carried out. A new invariance principle, connected to kernels of differential operators is discovered. This new invariance, for example, connects the explicit solutions of the Liouville equation with the Miura transform. Simple methods are exhibited which allow to compute out of N-soliton solutions of the KdV (Bargman potentials) explicit solutions of equations like the Harry Dym equation. Certain solutions are plotted.

Finite difference time domain analysis of chirped dielectric gratings

NASA Technical Reports Server (NTRS)

Hochmuth, Diane H.; Johnson, Eric G.

1993-01-01

The finite difference time domain (FDTD) method for solving Maxwell's time-dependent curl equations is accurate, computationally efficient, and straight-forward to implement. Since both time and space derivatives are employed, the propagation of an electromagnetic wave can be treated as an initial-value problem. Second-order central-difference approximations are applied to the space and time derivatives of the electric and magnetic fields providing a discretization of the fields in a volume of space, for a period of time. The solution to this system of equations is stepped through time, thus, simulating the propagation of the incident wave. If the simulation is continued until a steady-state is reached, an appropriate far-field transformation can be applied to the time-domain scattered fields to obtain reflected and transmitted powers. From this information diffraction efficiencies can also be determined. In analyzing the chirped structure, a mesh is applied only to the area immediately around the grating. The size of the mesh is then proportional to the electric size of the grating. Doing this, however, imposes an artificial boundary around the area of interest. An absorbing boundary condition must be applied along the artificial boundary so that the outgoing waves are absorbed as if the boundary were absent. Many such boundary conditions have been developed that give near-perfect absorption. In this analysis, the Mur absorbing boundary conditions are employed. Several grating structures were analyzed using the FDTD method.

Application of complex discrete wavelet transform in classification of Doppler signals using complex-valued artificial neural network.

PubMed

Ceylan, Murat; Ceylan, Rahime; Ozbay, Yüksel; Kara, Sadik

2008-09-01

In biomedical signal classification, due to the huge amount of data, to compress the biomedical waveform data is vital. This paper presents two different structures formed using feature extraction algorithms to decrease size of feature set in training and test data. The proposed structures, named as wavelet transform-complex-valued artificial neural network (WT-CVANN) and complex wavelet transform-complex-valued artificial neural network (CWT-CVANN), use real and complex discrete wavelet transform for feature extraction. The aim of using wavelet transform is to compress data and to reduce training time of network without decreasing accuracy rate. In this study, the presented structures were applied to the problem of classification in carotid arterial Doppler ultrasound signals. Carotid arterial Doppler ultrasound signals were acquired from left carotid arteries of 38 patients and 40 healthy volunteers. The patient group included 22 males and 16 females with an established diagnosis of the early phase of atherosclerosis through coronary or aortofemoropopliteal (lower extremity) angiographies (mean age, 59 years; range, 48-72 years). Healthy volunteers were young non-smokers who seem to not bear any risk of atherosclerosis, including 28 males and 12 females (mean age, 23 years; range, 19-27 years). Sensitivity, specificity and average detection rate were calculated for comparison, after training and test phases of all structures finished. These parameters have demonstrated that training times of CVANN and real-valued artificial neural network (RVANN) were reduced using feature extraction algorithms without decreasing accuracy rate in accordance to our aim.

Transformation of socio-cultural aspect of gated housing’s residence in Medan City, Indonesia.

NASA Astrophysics Data System (ADS)

Nirfalini Aulia, Dwira

2018-03-01

Gated Community Housing develops rapidly in Medan City and other big cities in Indonesia. These housing types initially reserved for middle to high-income residents. Transformation can describe as changes from one condition to another condition that can happen continuously in time. Change is affected by internal and external factors. Internal factors include culture, perspective, and social system while external factors include science progress and other cultural influence. This research is a descriptive study which tries to describe the phenomenon that is currently ongoing. Gated housing chosen are Perumahan Taman Setia Budi Indah, Perumahan Bumi Asri dan Perumahan Graha Helvetia. Characteristics of gated housing’s residents transform by the regional or national socioeconomic transformation. The structure and function of human social life are not uniform; meaning in every social life setting each of the structure and function are different. The characteristic of a community will transform in continuity.

Two distinct crystallization processes in supercooled liquid

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

Tane, Masakazu, E-mail: mtane@sanken.osaka-u.ac.jp; Kimizuka, Hajime; Ichitsubo, Tetsu

2016-05-21

Using molecular dynamics simulations we show that two distinct crystallization processes, depending on the temperature at which crystallization occurs, appear in a supercooled liquid. As a model for glass-forming materials, an Al{sub 2}O{sub 3} model system, in which both the glass transition and crystallization from the supercooled liquid can be well reproduced, is employed. Simulations in the framework of an isothermal-isobaric ensemble indicate that the calculated time-temperature-transformation curve for the crystallization to γ(defect spinel)-Al{sub 2}O{sub 3} exhibited a typical nose shape, as experimentally observed in various glass materials. During annealing above the nose temperature, the structure of the supercooled liquidmore » does not change before the crystallization, because of the high atomic mobility (material transport). Thus, the crystallization is governed by the abrupt crystal nucleation, which results in the formation of a stable crystal structure. In contrast, during annealing below the nose temperature, the structure of the supercooled liquid gradually changes before the crystallization, and the formed crystal structure is less stable than that formed above the nose temperature, because of the restricted material transport.« less

Time-Resolved Infrared Reflectance Studies of the Dehydration-Induced Transformation of Uranyl Nitrate Hexahydrate to the Trihydrate Form

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO2(NO3)2(H2O)6] often called UNH), the trihydrate [UO2(NO3)2(H2O)3 or UNT], and in very dry environments the dihydrate form [UO2(NO3)2(H2O)2]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s the different phases were studied by infrared transmission spectroscopy, but were limited both by instrumental resolution and by the ability to prepare the samples for transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparationmore » and allows dynamic analysis while the sample is exposed to a flow of N2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO2(NO3)2(H2O)6 has a distinct uranyl asymmetric stretch band at 949.0 cm-1 that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm-1. The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO22+ sites. The dehydration of UO2(NO3)2(H2O)6 to UO2(NO3)2(H2O)3 is both a structural and morphological change that has the lustrous lime green UO2(NO3)2(H2O)6 crystals changing to the matte greenish yellow of the trihydrate solid. The phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with but one in the hexahydrate.« less

Time-resolved infrared reflectance studies of the dehydration-induced transformation of uranyl nitrate hexahydrate to the trihydrate form

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

Johnson, Timothy J.; Sweet, Lucas E.; Meier, David E.

2015-09-08

Uranyl nitrate is a key species in the nuclear fuel cycle. However, this species is known to exist in different states of hydration, including the hexahydrate ([UO 2(NO 3) 2(H 2O) 6] often called UNH), the trihydrate [UO 2(NO 3) 2(H 2O) 3 or UNT], and in very dry environments the dihydrate form [UO 2(NO 3) 2(H 2O) 2]. Their relative stabilities depend on both water vapor pressure and temperature. In the 1950s and 1960s, the different phases were studied by infrared transmission spectroscopy but were limited both by instrumental resolution and by the ability to prepare the samples formore » transmission. We have revisited this problem using time-resolved reflectance spectroscopy, which requires no sample preparation and allows dynamic analysis while the sample is exposed to a flow of N 2 gas. Samples of known hydration state were prepared and confirmed via X-ray diffraction patterns of known species. In reflectance mode the hexahydrate UO 2(NO 3) 2(H 2O) 6 has a distinct uranyl asymmetric stretch band at 949.0 cm –1 that shifts to shorter wavelengths and broadens as the sample desiccates and recrystallizes to the trihydrate, first as a shoulder growing in on the blue edge but ultimately results in a doublet band with reflectance peaks at 966 and 957 cm –1. The data are consistent with transformation from UNH to UNT as UNT has two inequivalent UO 2 2+ sites. The dehydration of UO 2(NO 3) 2(H 2O) 6 to UO 2(NO 3) 2(H 2O) 3 is both a structural and morphological change that has the lustrous lime green UO 2(NO 3) 2(H 2O) 6 crystals changing to the matte greenish yellow of the trihydrate solid. As a result, the phase transformation and crystal structures were confirmed by density functional theory calculations and optical microscopy methods, both of which showed a transformation with two distinct sites for the uranyl cation in the trihydrate, with only one in the hexahydrate.« less

Influence of Temperature on Fatigue-Induced Martensitic Phase Transformation in a Metastable CrMnNi-Steel

NASA Astrophysics Data System (ADS)

Biermann, Horst; Glage, Alexander; Droste, Matthias

2016-01-01

Metastable austenitic steels can exhibit a fatigue-induced martensitic phase transformation during cyclic loading. It is generally agreed that a certain strain amplitude and a threshold of the cumulated plastic strain must be exceeded to trigger martensitic phase transformation under cyclic loading. With respect to monotonic loading, the martensitic phase transformation takes place up to a critical temperature—the so-called M d temperature. The goal of the present investigation is to determine an M d,c temperature which would be the highest temperature at which a fatigue-induced martensitic phase transformation can take place. For this purpose, fatigue tests controlled by the total strain were performed at different temperatures. The material investigated was a high-alloy metastable austenitic steel X3CrMnNi16.7.7 (16.3Cr-7.2Mn-6.6Ni-0.03C-0.09N-1.0Si) produced using the hot pressing technique. The temperatures were set in the range of 283 K (10 °C) ≤ T ≤ 473 K (200 °C). Depending on the temperature and strain amplitude, the onset of the martensitic phase transformation shifted to different values of the cumulated plastic strain, or was inhibited completely. Moreover, it is known that metastable austenitic CrMnNi steels with higher nickel contents can exhibit the deformation-induced twinning effect. Thus, at higher temperatures and strain amplitudes, a transition from the deformation-induced martensitic transformation to deformation-induced twinning takes place. The fatigue-induced martensitic phase transformation was monitored during cyclic loading using a ferrite sensor. The microstructure after the fatigue tests was examined using the back-scattered electrons, the electron channeling contrast imaging and the electron backscatter diffraction techniques to study the temperature-dependent dislocation structures and phase transformations.

Solvent-induced controllable synthesis, single-crystal to single-crystal transformation and encapsulation of Alq3 for modulated luminescence in (4,8)-connected metal-organic frameworks.

PubMed

Lan, Ya-Qian; Jiang, Hai-Long; Li, Shun-Li; Xu, Qiang

2012-07-16

In this work, for the first time, we have systematically demonstrated that solvent plays crucial roles in both controllable synthesis of metal-organic frameworks (MOFs) and their structural transformation process. With solvent as the only variable, five new MOFs with different structures have been constructed, in which one MOF undergoes solvent-induced single-crystal to single-crystal (SCSC) transformation that involves not only solvent exchange but also the cleavage and formation of coordination bonds. Particularly, a significant crystallographic change has been realized through an unprecedented three-step SCSC transformation process. Furthermore, we have demonstrated that the obtained MOF could be an excellent host for chromophores such as Alq3 for modulated luminescent properties.

Facile Synthesis of Calcium Borate Nanoparticles and the Annealing Effect on Their Structure and Size

PubMed Central

Erfani, Maryam; Saion, Elias; Soltani, Nayereh; Hashim, Mansor; Wan Abdullah, Wan Saffiey B.; Navasery, Manizheh

2012-01-01

Calcium borate nanoparticles have been synthesized by a thermal treatment method via facile co-precipitation. Differences of annealing temperature and annealing time and their effects on crystal structure, particle size, size distribution and thermal stability of nanoparticles were investigated. The formation of calcium borate compound was characterized by X-ray diffraction (XRD) and Fourier Transform Infrared spectroscopy (FTIR), Transmission electron microscopy (TEM), and Thermogravimetry (TGA). The XRD patterns revealed that the co-precipitated samples annealed at 700 °C for 3 h annealing time formed an amorphous structure and the transformation into a crystalline structure only occurred after 5 h annealing time. It was found that the samples annealed at 900 °C are mostly metaborate (CaB2O4) nanoparticles and tetraborate (CaB4O7) nanoparticles only observed at 970 °C, which was confirmed by FTIR. The TEM images indicated that with increasing the annealing time and temperature, the average particle size increases. TGA analysis confirmed the thermal stability of the annealed samples at higher temperatures. PMID:23203073

High pressure study of Pu(0.92)Am(0.08) binary alloy.

PubMed

Klosek, V; Griveau, J C; Faure, P; Genestier, C; Baclet, N; Wastin, F

2008-07-09

The phase transitions (by means of x-ray diffraction) and electrical resistivity of a Pu(0.92)Am(0.08) binary alloy were determined under pressure (up to 2 GPa). The evolution of atomic volume with pressure gives detailed information concerning the degree of localization of 5f electronic states and their delocalization process. A quasi-linear V = f(P) dependence reflects subtle modifications of the electronic structure when P increases. The electrical resistivity measurements reveal the very high stability of the δ phase for pressures less than 0.7 GPa, since no martensitic-like transformation occurs at low temperature. Remarkable electronic behaviours have also been observed. Finally, resistivity curves have shown the temperature dependence of the phase transformations together with unexpected kinetic effects.

Exact treatment of the Jaynes-Cummings model under the action of an external classical field

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

Abdalla, M. Sebawe, E-mail: m.sebaweh@physics.org; Khalil, E.M.; Mathematics Department, College of Science, Taibah University, Al-MaDinah

2011-09-15

We consider the usual Jaynes-Cummings model (JCM), in the presence of an external classical field. Under a certain canonical transformation for the Pauli operators, the system is transformed into the usual JCM. Using the equations of motion in the Heisenberg picture, exact solutions for the time-dependent dynamical operators are obtained. In order to calculate the expectation values of these operators, the wave function has been constructed. It has been shown that the classical field augments the atomic frequency {omega}{sub 0} and mixes the original atomic states. Changes of squeezing from one quadrature to another is also observed for a strongmore » value of the coupling parameter of the classical field. Furthermore, the system in this case displays partial entanglement and the state of the field losses its purity. - Highlights: > The time-dependent JCM, in the presence of the classical field, is still one of the essential problems in the quantum optics. > A new approach is applied through a certain canonical transformation. > The classical field augments the atomic frequency {omega}{sub 0} and mixes the original atomic states.« less

Transformed Fourier and Fick equations for the control of heat and mass diffusion

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

Guenneau, S.; Petiteau, D.; Zerrad, M.

We review recent advances in the control of diffusion processes in thermodynamics and life sciences through geometric transforms in the Fourier and Fick equations, which govern heat and mass diffusion, respectively. We propose to further encompass transport properties in the transformed equations, whereby the temperature is governed by a three-dimensional, time-dependent, anisotropic heterogeneous convection-diffusion equation, which is a parabolic partial differential equation combining the diffusion equation and the advection equation. We perform two dimensional finite element computations for cloaks, concentrators and rotators of a complex shape in the transient regime. We precise that in contrast to invisibility cloaks for waves,more » the temperature (or mass concentration) inside a diffusion cloak crucially depends upon time, its distance from the source, and the diffusivity of the invisibility region. However, heat (or mass) diffusion outside cloaks, concentrators and rotators is unaffected by their presence, whatever their shape or position. Finally, we propose simplified designs of layered cylindrical and spherical diffusion cloaks that might foster experimental efforts in thermal and biochemical metamaterials.« less

Transformation of Context-dependent Sensory Dynamics into Motor Behavior

PubMed Central

Latorre, Roberto; Levi, Rafael; Varona, Pablo

2013-01-01

The intrinsic dynamics of sensory networks play an important role in the sensory-motor transformation. In this paper we use conductance based models and electrophysiological recordings to address the study of the dual role of a sensory network to organize two behavioral context-dependent motor programs in the mollusk Clione limacina. We show that: (i) a winner take-all dynamics in the gravimetric sensory network model drives the typical repetitive rhythm in the wing central pattern generator (CPG) during routine swimming; (ii) the winnerless competition dynamics of the same sensory network organizes the irregular pattern observed in the wing CPG during hunting behavior. Our model also shows that although the timing of the activity is irregular, the sequence of the switching among the sensory cells is preserved whenever the same set of neurons are activated in a given time window. These activation phase locks in the sensory signals are transformed into specific events in the motor activity. The activation phase locks can play an important role in motor coordination driven by the intrinsic dynamics of a multifunctional sensory organ. PMID:23459114

Fe(II)-induced transformation from ferrihydrite to lepidocrocite and goethite

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

Liu Hui; Institute of Coal Chemistry, Chinese Academy of Sciences, Taiyuan 030001 China; Li Ping

2007-07-15

The transformation of Fe(II)-adsorbed ferrihydrite was studied. Data tracking the formation of products as a function of pH, temperature and time is presented. The results indicate that trace of Fe(II) adsorbed on ferrihydrite can accelerate its transformation obviously. The products are lepidocrocite and/or goethite and/or hematite, which is different from those without Fe(II). That is, Fe(II) not only accelerates the transformation of ferrihydrite but also leads to the formation of lepidocrocite by a new path. The behavior of Fe(II) is shown in two aspects-catalytic dissolution-reprecipitation and catalytic solid-state transformation. The results indicate that a high temperature and a high pH(inmore » the range from 5 to 9) are favorable to solid-state transformation and the formation of hematite, while a low temperature and a low pH are favorable to dissolution-reprecipitation mechanism and the formation of lepidocrocite. Special attentions were given to the formation mechanism of lepidocrocite and goethite. - Graphical abstract: Fe(II)-adsorbed ferrihydrite can rapidly transform into lepidocrocite or/and goethite or/and hematite. Which product dominates depends on the transformation conditions of ferrihydrite such as temperature, pH, reaction time, etc. In the current system, there exist two transformation mechanisms. One is dissolution/reprecipitation and the other is solid-state transformation. The transformation mechanisms from Fe(II)-adsorbed ferrihydrite to lepidocrocite and goethite were investigated.« less

Multisensor signal denoising based on matching synchrosqueezing wavelet transform for mechanical fault condition assessment

NASA Astrophysics Data System (ADS)

Yi, Cancan; Lv, Yong; Xiao, Han; Huang, Tao; You, Guanghui

2018-04-01

Since it is difficult to obtain the accurate running status of mechanical equipment with only one sensor, multisensor measurement technology has attracted extensive attention. In the field of mechanical fault diagnosis and condition assessment based on vibration signal analysis, multisensor signal denoising has emerged as an important tool to improve the reliability of the measurement result. A reassignment technique termed the synchrosqueezing wavelet transform (SWT) has obvious superiority in slow time-varying signal representation and denoising for fault diagnosis applications. The SWT uses the time-frequency reassignment scheme, which can provide signal properties in 2D domains (time and frequency). However, when the measured signal contains strong noise components and fast varying instantaneous frequency, the performance of SWT-based analysis still depends on the accuracy of instantaneous frequency estimation. In this paper, a matching synchrosqueezing wavelet transform (MSWT) is investigated as a potential candidate to replace the conventional synchrosqueezing transform for the applications of denoising and fault feature extraction. The improved technology utilizes the comprehensive instantaneous frequency estimation by chirp rate estimation to achieve a highly concentrated time-frequency representation so that the signal resolution can be significantly improved. To exploit inter-channel dependencies, the multisensor denoising strategy is performed by using a modulated multivariate oscillation model to partition the time-frequency domain; then, the common characteristics of the multivariate data can be effectively identified. Furthermore, a modified universal threshold is utilized to remove noise components, while the signal components of interest can be retained. Thus, a novel MSWT-based multisensor signal denoising algorithm is proposed in this paper. The validity of this method is verified by numerical simulation, and experiments including a rolling bearing system and a gear system. The results show that the proposed multisensor matching synchronous squeezing wavelet transform (MMSWT) is superior to existing methods.

Laser-Linewidth Effects on the Photon-Phonon Conversion Rate at a Gas-Solid Interface,

DTIC Science & Technology

1986-07-01

eliminate the exp(± iwLt )-dependence and facilitate the appearance of 0(t).20󈧙 We define the density operator a(t) as 0(t) - ei(Lt + *(t))Pgp(t)e i(wLt...specific form of our transformation (3.1) to the rotating frame. We remark that other kinds of transformations 24 , which also eliminate the exp(± iwLt ) time

An introduction to wavelet analysis in oceanography and meteorology - With application to the dispersion of Yanai waves

NASA Technical Reports Server (NTRS)

Meyers, Steven D.; Kelly, B. G.; O'Brien, J. J.

1993-01-01

Wavelet analysis is a relatively new technique that is an important addition to standard signal analysis methods. Unlike Fourier analysis that yields an average amplitude and phase for each harmonic in a dataset, the wavelet transform produces an instantaneous estimate or local value for the amplitude and phase of each harmonic. This allows detailed study of nonstationary spatial or time-dependent signal characteristics. The wavelet transform is discussed, examples are given, and some methods for preprocessing data for wavelet analysis are compared. By studying the dispersion of Yanai waves in a reduced gravity equatorial model, the usefulness of the transform is demonstrated. The group velocity is measured directly over a finite range of wavenumbers by examining the time evolution of the transform. The results agree well with linear theory at higher wavenumber but the measured group velocity is reduced at lower wavenumbers, possibly due to interaction with the basin boundaries.

Fourier Transform Infrared (FTIR) Spectroscopy, Ultraviolet Resonance Raman (UVRR) Spectroscopy, and Atomic Force Microscopy (AFM) for Study of the Kinetics of Formation and Structural Characterization of Tau Fibrils.

PubMed

Ramachandran, Gayathri

2017-01-01

Kinetic studies of tau fibril formation in vitro most commonly employ spectroscopic probes such as thioflavinT fluorescence and laser light scattering or negative stain transmission electron microscopy. Here, I describe the use of Fourier transform infrared (FTIR) spectroscopy, ultraviolet resonance Raman (UVRR) spectroscopy, and atomic force microscopy (AFM) as complementary probes for studies of tau aggregation. The sensitivity of vibrational spectroscopic techniques (FTIR and UVRR) to secondary structure content allows for measurement of conformational changes that occur when the intrinsically disordered protein tau transforms into cross-β-core containing fibrils. AFM imaging serves as a gentle probe of structures populated over the time course of tau fibrillization. Together, these assays help further elucidate the structural and mechanistic complexity inherent in tau fibril formation.

Raw or incubated olive-mill wastes and its biotransformed products as agricultural soil amendments-effect on sorption-desorption of triazine herbicides.

PubMed

Delgado-Moreno, Laura; Almendros, Gonzalo; Peña, Aránzazu

2007-02-07

Raw olive-mill waste and soil amendments obtained from their traditional composting or vermicomposting were added, at rates equivalent to 200 Mg ha-1, to a calcareous silty clay loam soil in a laboratory test, in order to improve its fertility and physicochemical characteristics. In particular, the effects on the sorption-desorption processes of four triazine herbicides have been examined. We found that comparatively hydrophobic herbicides terbuthylazine and prometryn increased their retention on amended soil whereas the more polar herbicides simazine and cyanazine were less affected. Soil application of olive cake, without transformation, resulted in the highest herbicide retention. Its relatively high content in aliphatic fractions and lipids could explain the increased herbicide retention through hydrophobic bonding and herbicide diffusion favored by poorly condensed macromolecular structures. On the other hand, the condensed aromatic structure of the compost and vermicompost from olive cake could hinder diffusion processes, resulting in lower herbicide sorption. In fact, the progressive humification in soil of olive-mill solid waste led to a decrease of sorption capacity, which suggested important changes in organic matter quality and interactions during the mineralization process. When soil amended with vermicompost was incubated for different periods of time, the enhanced herbicide sorption capacity persisted for 2 months. Pesticide desorption was reduced by the addition of fresh amendments but was enhanced during the transformation process of amendments in soil. Our results indicate the potential of soil amendments based on olive-mill wastes in the controlled, selective release of triazine herbicides, which varies depending on the maturity achieved by their biological transformation.

Laplace Transform Based Radiative Transfer Studies

NASA Astrophysics Data System (ADS)

Hu, Y.; Lin, B.; Ng, T.; Yang, P.; Wiscombe, W.; Herath, J.; Duffy, D.

2006-12-01

Multiple scattering is the major uncertainty for data analysis of space-based lidar measurements. Until now, accurate quantitative lidar data analysis has been limited to very thin objects that are dominated by single scattering, where photons from the laser beam only scatter a single time with particles in the atmosphere before reaching the receiver, and simple linear relationship between physical property and lidar signal exists. In reality, multiple scattering is always a factor in space-based lidar measurement and it dominates space- based lidar returns from clouds, dust aerosols, vegetation canopy and phytoplankton. While multiple scattering are clear signals, the lack of a fast-enough lidar multiple scattering computation tool forces us to treat the signal as unwanted "noise" and use simple multiple scattering correction scheme to remove them. Such multiple scattering treatments waste the multiple scattering signals and may cause orders of magnitude errors in retrieved physical properties. Thus the lack of fast and accurate time-dependent radiative transfer tools significantly limits lidar remote sensing capabilities. Analyzing lidar multiple scattering signals requires fast and accurate time-dependent radiative transfer computations. Currently, multiple scattering is done with Monte Carlo simulations. Monte Carlo simulations take minutes to hours and are too slow for interactive satellite data analysis processes and can only be used to help system / algorithm design and error assessment. We present an innovative physics approach to solve the time-dependent radiative transfer problem. The technique utilizes FPGA based reconfigurable computing hardware. The approach is as following, 1. Physics solution: Perform Laplace transform on the time and spatial dimensions and Fourier transform on the viewing azimuth dimension, and convert the radiative transfer differential equation solving into a fast matrix inversion problem. The majority of the radiative transfer computation goes to matrix inversion processes, FFT and inverse Laplace transforms. 2. Hardware solutions: Perform the well-defined matrix inversion, FFT and Laplace transforms on highly parallel, reconfigurable computing hardware. This physics-based computational tool leads to accurate quantitative analysis of space-based lidar signals and improves data quality of current lidar mission such as CALIPSO. This presentation will introduce the basic idea of this approach, preliminary results based on SRC's FPGA-based Mapstation, and how we may apply it to CALIPSO data analysis.

Structural transformation in nano-structured CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} system

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

Mehta, D. K., E-mail: daxabjoshi@gmail.com; Chhantbar, M. C.; Joshi, H. H.

Polycrystalline spinel ferrite system CuAl{sub x}Cr{sub x}Fe{sub 2-2x}O{sub 4} (x=0.2, 0.6) was synthesized by solid-state reaction route. Nanoparticles of the samples have been prepared by using high energy ball milling technique with different milling durations and characterized by X-ray Diffraction and Tunneling Electron Microscope. It is observed that the structural transformation occurred from Cubic to tetragonal and particle size varied between 29 nm -14 nm with increase of milling time.

Time, Temperature, and Cationic Dependence of Alkali Activation of Slag: Insights from Fourier Transform Infrared Spectroscopy and Spectral Deconvolution.

PubMed

Dakhane, Akash; Madavarapu, Sateesh Babu; Marzke, Robert; Neithalath, Narayanan

2017-08-01

The use of waste/by-product materials, such as slag or fly ash, activated using alkaline agents to create binding materials for construction applications (in lieu of portland cement) is on the rise. The influence of activation parameters (SiO 2 to Na 2 O ratio or M s of the activator, Na 2 O to slag ratio or n, cation type K + or Na + ) on the process and extent of alkali activation of slag under ambient and elevated temperature curing, evaluated through spectroscopic techniques, is reported in this paper. Fourier transform infrared spectroscopy along with a Fourier self-deconvolution method is used. The major spectral band of interest lies in the wavenumber range of ∼950 cm -1 , corresponding to the antisymmetric stretching vibration of Si-O-T (T = Si or Al) bonds. The variation in the spectra with time from 6 h to 28 days is attributed to the incorporation of Al in the gel structure and the enhancement in degree of polymerization of the gel. 29 Si nuclear magnetic resonance spectroscopy is used to quantify the Al incorporation with time, which is found to be higher when Na silicate is used as the activator. The Si-O-T bond wavenumbers are also generally lower for the Na silicate activated systems.

pH-Dependent reversible crystal transformation of 1-carboxymethyl-1-methyl-pyrrolidinium bromides and their spectroscopic fingerprint

NASA Astrophysics Data System (ADS)

Tong, Ya-yan; Zhang, Heng; Chang, Liang-liang; Xuan, Xiao-peng

2018-03-01

In this work, two 1-carboxymethyl-1-methyl-pyrrolidinium bromides (N-methylpyrrolidine betaine hydrobromides) with the stoichiometry of betaine:hydrobromic acid as 1:1 and 2:1, denoted as CMPRHBr-I and CMPRHBr-II, respectively, were prepared and crystallographically determined. The large difference in these two structures is the type of hydrogen bonds, resulting in the different thermal stability. A strong Osbnd H ⋯ Br hydrogen bond was observed in CMPRHBr-I, whereas O ⋯ H ⋯ O hydrogen bond in CMPRHBr-II. Both these two crystals can mutually transform by changing the pH value of the aqueous solution. Vibrational spectroscopic studies shows that these two structures can be easily distinguished by the characteristic bands such as νCdbnd O stretching vibration and the D-type bands. Our studies indicate that it should be cautious of the structural change as this type of organic salts was purified and recrystallized.

Selective Synthesis of 5- or 6-Aryl Octahydrocyclopenta[b]pyrroles from a Common Precursor Through Control of Competing Pathways in a Pd-Catalyzed Reaction

PubMed Central

Ney, Joshua E.; Wolfe, John P.

2009-01-01

The Pd/phosphine-catalyzed reaction of 1 with aryl bromides leads to the selective synthesis of either 6-aryl octahydrocyclopenta[b]pyrroles (3), the corresponding 5-aryl isomers 5, diarylamine 2, or hexahydrocyclopenta[b]pyrrole 4 depending on the structure of the phosphine ligand. These transformations are effective with a variety of different aryl bromides, and provide 3-5 with excellent levels of diastereoselectivity (dr ≥ 20:1). The changes in product distribution are believed to derive from the influence of Pd-catalyst structure on the relative rates of reductive elimination, β-hydride elimination, alkene insertion, and alkene dissociation processes in a mechanistically complex reaction. The effect of phosphine ligand structure on product distribution is described in detail, along with analysis of a proposed mechanism for these transformations. PMID:15954769

Transformation of the Surface Structure of Marble under the Action of a Shock Wave

NASA Astrophysics Data System (ADS)

Shcherbakov, I. P.; Vettegren, V. I.; Bashkarev, A. Ya.; Mamalimov, R. I.

2018-01-01

The structure of marble fracture fragments formed after the destruction under the action of a shock wave have been analyzed by Raman, infrared, and luminescence spectroscopic techniques. It has been found that calcite I in the surface layer of fragments with thicknesses of about 2 μm is transformed into high-pressure phase calcite III. At the same time, concentrations of Mn2+, Eu3+, and other ions decrease to about onefourth of their initial values.

Effect of lattice-mismatch-induced strains on coupled diffusive and displacive phase transformations

NASA Astrophysics Data System (ADS)

Bouville, Mathieu; Ahluwalia, Rajeev

2007-02-01

Materials which can undergo slow diffusive transformations as well as fast displacive transformations are studied using the phase-field method. The model captures the essential features of the time-temperature-transformation (TTT) diagrams, continuous cooling transformation (CCT) diagrams, and microstructure formation of these alloys. In some material systems there can exist an intrinsic volume change associated with these transformations. We show that these coherency strains can stabilize mixed microstructures (such as retained austenite-martensite and pearlite-martensite mixtures) by an interplay between diffusive and displacive mechanisms, which can alter TTT and CCT diagrams. Depending on the conditions there can be competitive or cooperative nucleation of the two kinds of phases. The model also shows that small differences in volume changes can have noticeable effects on the early stages of martensite formation and on the resulting microstructures.

Microbial catabolism of sterols: focus on the enzymes that transform the sterol 3β-hydroxy-5-en into 3-keto-4-en.

PubMed

Kreit, Joseph

2017-02-01

An overview on the microbial sterol catabolism is described with a focus on the catabolic step of the 3β-hydroxy-5-en structure. Cholesterol oxidase transforms this structure into the corresponding 3-keto-4-en feature, and thus initiates the sterol molecule catabolism. The oxidase has been found in a large number of microorganisms, especially in Actinobacteria as species of Rhodococcus and Streptomyces. Other Actinobacteria as species of Mycobacterium and Nocardia possess NAD(P)-dependent dehydrogenase for this catabolic step. In Rhodococcus jostii, oxidation of the C26 of the sterol side chain is the initiating step. The resulting stenone or sterol-C26-oic acid is then catabolized according to two subpathways: cleavage of the sterol side chain and degradation of the steroid nucleus. Divergent items concerned with the enzymes that transform the sterol 3β-hydroxy-5-en are discussed. © FEMS 2017. All rights reserved. For permissions, please e-mail: journals.permissions@oup.com.

Dopant concentration dependent growth of Fe:ZnO nanostructures

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

Sahai, Anshuman; Goswami, Navendu, E-mail: navendugoswami@gmail.com

2016-05-23

Systematic investigations of structural properties of 1-10% Fe doped ZnO nanostructure (Fe:ZnO NS) prepared via chemical precipitation method have been reported. Structural properties were probed thoroughly employing scanning electron microscope (SEM) and transmission electron microscope (TEM), energy dispersive X-ray (EDAX) analysis and X-ray diffraction (XRD). Morphological transformation of nanostructures (NS) with Fe incorporation is evident in SEM/TEM images. Nanoparticles (NP) obtained with 1% Fe, evolve to nanorods (NR) for 3% Fe; NR transform to nanocones (NC) (for 5% and 7% Fe) and finally NC transform to nanoflakes (NF) at 10% Fe. Morover, primary phase of Zn{sub 1-x}Fe{sub x}O along withmore » secondary phases of ZnFe{sub 2}O{sub 4} and Fe{sub 2}O{sub 3} were also revealed through XRD measurements. Based on collective XRD, SEM, TEM, and EDAX interpretations, a model for morphological evolution of NS was proposed and the pivotal role of Fe dopant was deciphered.« less

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

Ari-Gur, Pnina; Garlea, Vasile O.; Cao, Huibo

In this study, Heusler alloys of Ni-Mn-Ga compositions demonstrate ferromagnetic shape memory effect in the martensitic state. The transformation temperature and the chemical order depend strongly on the composition. In the current work, the structure and chemical order of the martensitic phase of Ni 1.91Mn 1.29Ga 0.8 were studied using neutron diffraction; the diffraction pattern was refined using the FullProf software. It was determined that the structural transition occurs around 330 K. At room temperature, 300 K, which is below the martensite transformation temperature, all the Bragg reflections can be described by a monoclinic lattice with a symmetry of spacemore » group P 1 2/m 1 and lattice constants of a = 4.23047(7) [Å], b = 5.58333(6) [Å], c = 21.0179(2) [Å], beta = 90.328(1). The chemical order is of critical importance in these alloys, and it was previously studied at 363 K. Analysis of the neutron diffraction in the monoclinic phase shows that the chemical order is maintained during the martensitic transformation.« less

Local structure and structural signature underlying properties in metallic glasses and supercooled liquids

NASA Astrophysics Data System (ADS)

Ding, Jun

Metallic glasses (MGs), discovered five decades ago as a newcomer in the family of glasses, are of current interest because of their unique structures and properties. There are also many fundamental materials science issues that remain unresolved for metallic glasses, as well as their predecessor above glass transition temperature, the supercooled liquids. In particular, it is a major challenge to characterize the local structure and unveil the structure-property relationship for these amorphous materials. This thesis presents a systematic study of the local structure of metallic glasses as well as supercooled liquids via classical and ab initio molecular dynamics simulations. Three typical MG models are chosen as representative candidate, Cu64 Zr36, Pd82Si18 and Mg65Cu 25Y10 systems, while the former is dominant with full icosahedra short-range order and the prism-type short-range order dominate for latter two. Furthermore, we move to unravel the underlying structural signature among several properties in metallic glasses. Firstly, the temperature dependence of specific heat and liquid fragility between Cu-Zr and Mg-Cu-Y (also Pd-Si) in supercooled liquids are quite distinct: gradual versus fast evolution of specific heat and viscosity/relaxation time with undercooling. Their local structural ordering are found to relate with the temperature dependence of specific heat and relaxation time. Then elastic heterogeneity has been studied to correlate with local structure in Cu-Zr MGs. Specifically, this part covers how the degree of elastic deformation correlates with the internal structure at the atomic level, how to quantitatively evaluate the local solidity/liquidity in MGs and how the network of interpenetrating connection of icosahedra determine the corresponding shear modulus. Finally, we have illustrated the structure signature of quasi-localized low-frequency vibrational normal modes, which resides the intriguing vibrational properties in MGs. Specifically, the local atomic packing structure in a model MG strongly correlate with the corresponding participation fraction in quasi-localized soft modes, while the highest and lowest participation correspond to geometrically unfavored motifs and ISRO respectively. In addition, we clearly demonstrate that quasi-localized low-frequency vibrational modes correlate strongly with fertile sites for shear transformations in a MG.

The Recess Renaissance

ERIC Educational Resources Information Center

Keeler, Rusty

2015-01-01

The author tells of his work around the country and world on transforming how schools do recess, free play, and outside time by transforming their outdoor spaces to match. Instead of a playground of fixed structures like traditional school grounds, newer spaces are filled with loose materials that children can use to build forts, dens, and tree…

Decentralized modal identification using sparse blind source separation

NASA Astrophysics Data System (ADS)

Sadhu, A.; Hazra, B.; Narasimhan, S.; Pandey, M. D.

2011-12-01

Popular ambient vibration-based system identification methods process information collected from a dense array of sensors centrally to yield the modal properties. In such methods, the need for a centralized processing unit capable of satisfying large memory and processing demands is unavoidable. With the advent of wireless smart sensor networks, it is now possible to process information locally at the sensor level, instead. The information at the individual sensor level can then be concatenated to obtain the global structure characteristics. A novel decentralized algorithm based on wavelet transforms to infer global structure mode information using measurements obtained using a small group of sensors at a time is proposed in this paper. The focus of the paper is on algorithmic development, while the actual hardware and software implementation is not pursued here. The problem of identification is cast within the framework of under-determined blind source separation invoking transformations of measurements to the time-frequency domain resulting in a sparse representation. The partial mode shape coefficients so identified are then combined to yield complete modal information. The transformations are undertaken using stationary wavelet packet transform (SWPT), yielding a sparse representation in the wavelet domain. Principal component analysis (PCA) is then performed on the resulting wavelet coefficients, yielding the partial mixing matrix coefficients from a few measurement channels at a time. This process is repeated using measurements obtained from multiple sensor groups, and the results so obtained from each group are concatenated to obtain the global modal characteristics of the structure.

Microwave-Assisted Solvothermal Synthesis of VO2 Hollow Spheres and Their Conversion into V2O5 Hollow Spheres with Improved Lithium Storage Capability.

PubMed

Pan, Jing; Zhong, Li; Li, Ming; Luo, Yuanyuan; Li, Guanghai

2016-01-22

Monodispersed hierarchically structured V2O5 hollow spheres were successfully obtained from orthorhombic VO2 hollow spheres, which are in turn synthesized by a simple template-free microwave-assisted solvothermal method. The structural evolution of VO2 hollow spheres has been studied and explained by a chemically induced self-transformation process. The reaction time and water content in the reaction solution have a great influence on the morphology and phase structure of the resulting products in the solvothermal reaction. The diameter of the VO2 hollow spheres can be regulated simply by changing vanadium ion content in the reaction solution. The VO2 hollow spheres can be transformed into V2O5 hollow spheres with nearly no morphological change by annealing in air. The nanorods composed of V2O5 hollow spheres have an average length of about 70 nm and width of about 19 nm. When used as a cathode material for lithium-ion batteries, the V2O5 hollow spheres display a diameter-dependent electrochemical performance, and the 440 nm hollow spheres show the highest specific discharge capacity of 377.5 mAhg(-1) at a current density of 50 mAg(-1) , and are better than the corresponding solid spheres and nanorod assemblies. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

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

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

Verification of Modelica-Based Models with Analytical Solutions for Tritium Diffusion

DOE PAGES

Rader, Jordan D.; Greenwood, Michael Scott; Humrickhouse, Paul W.

2018-03-20

Here, tritium transport in metal and molten salt fluids combined with diffusion through high-temperature structural materials is an important phenomenon in both magnetic confinement fusion (MCF) and molten salt reactor (MSR) applications. For MCF, tritium is desirable to capture for fusion fuel. For MSRs, uncaptured tritium potentially can be released to the environment. In either application, quantifying the time- and space-dependent tritium concentration in the working fluid(s) and structural components is necessary.Whereas capability exists specifically for calculating tritium transport in such systems (e.g., using TMAP for fusion reactors), it is desirable to unify the calculation of tritium transport with othermore » system variables such as dynamic fluid and structure temperature combined with control systems such as those that might be found in a system code. Some capability for radioactive trace substance transport exists in thermal-hydraulic systems codes (e.g., RELAP5-3D); however, this capability is not coupled to species diffusion through solids. Combined calculations of tritium transport and thermal-hydraulic solution have been demonstrated with TRIDENT but only for a specific type of MSR.Researchers at Oak Ridge National Laboratory have developed a set of Modelica-based dynamic system modeling tools called TRANsient Simulation Framework Of Reconfigurable Models (TRANSFORM) that were used previously to model advanced fission reactors and associated systems. In this system, the augmented TRANSFORM library includes dynamically coupled fluid and solid trace substance transport and diffusion. Results from simulations are compared against analytical solutions for verification.« less

Does self-efficacy mediate the relationship between transformational leadership behaviours and healthcare workers' sleep quality? A longitudinal study.

PubMed

Munir, Fehmidah; Nielsen, Karina

2009-09-01

This paper is a report of a study conducted to investigate the longitudinal relationship between transformational leadership behaviours and employees' sleep quality, and the mediating effects of self-efficacy. Although there is evidence for the influential role of transformational leadership on health outcomes, researchers have used either attitude outcomes (e.g. job satisfaction) or softer health measures, such as general well-being. Specific measures of well-being such as sleep quality have not been used, despite its association with working conditions. A longitudinal design was used to collect data from Danish healthcare workers at time 1 in 2005 (n = 447) and 18 months later at time 2 in 2007 (n = 274). Structural equation modelling was used to investigate the relationships between transformational leadership, self-efficacy and sleep quality at both time points independently (cross-sectionally) and longitudinally. For all constructs, time 2 measures were influenced by the baseline level. Direct relationships between transformational leadership and sleep quality were found. This relationship was negative cross-sectionally at both time points, but positive between baseline and follow-up. The relationship between leadership and employees' sleep quality was not mediated by employees' self-efficacy. Our results indicate that training managers in transformational leadership behaviours may have a positive impact on healthcare workers' health over time. However, more research is needed to examine the mechanisms by which transformational leadership brings about improved sleep quality; self-efficacy was not found to be the explanation.

Analysis of reverse martensitic transformation of prehardened 16XCH steel

NASA Astrophysics Data System (ADS)

Muravyev, Vasily; Frolov, Alexey; Lonchakov, Sergey; Bakhmatov, Pavel

2015-10-01

In the paper the structural evolution of previously tempered 16XCH steel is investigated. The influence of temperature and time conditions of heating on temperature of austenization is revealed and the influence of structural changes on steel properties is defined. The analysis of the obtained results showed an increase of plasticity at the initial stage of reverse martensitic transformation and an increase of plasticity at increased durability. It is experimentally found that reverse transformation of packet and lath martensite into the initial phase (holding for a fraction of a second, temperature 400-450°C) leads to a sharp, more than 2-fold, reduction of strength and increase of plasticity. The effect of increased plasticity under reverse martensitic transformation conditions is observed. The structure of packet and lath martensite is more fine-grained in comparison with initial quenching; the durability and plasticity are much higher. Despite the derived results, the revealed effects of increased plasticity and strength require further exploration to increase the reliability of constructions made of low-alloyed steels.

Finite Difference Time Marching in the Frequency Domain: A Parabolic Formulation for the Convective Wave Equation

NASA Technical Reports Server (NTRS)

Baumeister, K. J.; Kreider, K. L.

1996-01-01

An explicit finite difference iteration scheme is developed to study harmonic sound propagation in ducts. To reduce storage requirements for large 3D problems, the time dependent potential form of the acoustic wave equation is used. To insure that the finite difference scheme is both explicit and stable, time is introduced into the Fourier transformed (steady-state) acoustic potential field as a parameter. Under a suitable transformation, the time dependent governing equation in frequency space is simplified to yield a parabolic partial differential equation, which is then marched through time to attain the steady-state solution. The input to the system is the amplitude of an incident harmonic sound source entering a quiescent duct at the input boundary, with standard impedance boundary conditions on the duct walls and duct exit. The introduction of the time parameter eliminates the large matrix storage requirements normally associated with frequency domain solutions, and time marching attains the steady-state quickly enough to make the method favorable when compared to frequency domain methods. For validation, this transient-frequency domain method is applied to sound propagation in a 2D hard wall duct with plug flow.

Finite Difference Time Marching in the Frequency Domain: A Parabolic Formulation for Aircraft Acoustic Nacelle Design

NASA Technical Reports Server (NTRS)

Baumeister, Kenneth J.; Kreider, Kevin L.

1996-01-01

An explicit finite difference iteration scheme is developed to study harmonic sound propagation in aircraft engine nacelles. To reduce storage requirements for large 3D problems, the time dependent potential form of the acoustic wave equation is used. To insure that the finite difference scheme is both explicit and stable, time is introduced into the Fourier transformed (steady-state) acoustic potential field as a parameter. Under a suitable transformation, the time dependent governing equation in frequency space is simplified to yield a parabolic partial differential equation, which is then marched through time to attain the steady-state solution. The input to the system is the amplitude of an incident harmonic sound source entering a quiescent duct at the input boundary, with standard impedance boundary conditions on the duct walls and duct exit. The introduction of the time parameter eliminates the large matrix storage requirements normally associated with frequency domain solutions, and time marching attains the steady-state quickly enough to make the method favorable when compared to frequency domain methods. For validation, this transient-frequency domain method is applied to sound propagation in a 2D hard wall duct with plug flow.

Optimal Alignment of Structures for Finite and Periodic Systems.

PubMed

Griffiths, Matthew; Niblett, Samuel P; Wales, David J

2017-10-10

Finding the optimal alignment between two structures is important for identifying the minimum root-mean-square distance (RMSD) between them and as a starting point for calculating pathways. Most current algorithms for aligning structures are stochastic, scale exponentially with the size of structure, and the performance can be unreliable. We present two complementary methods for aligning structures corresponding to isolated clusters of atoms and to condensed matter described by a periodic cubic supercell. The first method (Go-PERMDIST), a branch and bound algorithm, locates the global minimum RMSD deterministically in polynomial time. The run time increases for larger RMSDs. The second method (FASTOVERLAP) is a heuristic algorithm that aligns structures by finding the global maximum kernel correlation between them using fast Fourier transforms (FFTs) and fast SO(3) transforms (SOFTs). For periodic systems, FASTOVERLAP scales with the square of the number of identical atoms in the system, reliably finds the best alignment between structures that are not too distant, and shows significantly better performance than existing algorithms. The expected run time for Go-PERMDIST is longer than FASTOVERLAP for periodic systems. For finite clusters, the FASTOVERLAP algorithm is competitive with existing algorithms. The expected run time for Go-PERMDIST to find the global RMSD between two structures deterministically is generally longer than for existing stochastic algorithms. However, with an earlier exit condition, Go-PERMDIST exhibits similar or better performance.

Transitioning From Volume to Value: One Academic Medical Center's Approach to Improving Population Health.

PubMed

Halvorson, Stephanie A C; Tanski, Mary E; Yackel, Thomas R

2017-05-01

The U.S. health care system is undergoing a major transformation. Clinical delivery systems are now being paid according to the value of the care they provide, in accordance with the Triple Aim, which incorporates improving the quality and cost of care and the patient experience. Increasingly, financial risk is being transferred from insurers to clinical delivery systems that become responsible for both episode-based clinical care and the longitudinal care of patients. Thus, these delivery systems need to develop strategies to manage the health of populations. Academic medical centers (AMCs) serve a unique role in many markets yet may be ill prepared for this transformation. In 2013, Oregon Health & Science University (OHSU) partnered with a large health insurer and six other hospitals across the state to form Propel Health, a collaborative partnership designed to deliver the tools, methods, and support necessary for population health management. OHSU also developed new internal structures and transformed its business model to embrace this value-based care model. Each Propel Health partner included the employees and dependents enrolled in its employee medical plan, for approximately 55,000 covered individuals initially. By 2017, Propel Health is expected to cover 110,000 individuals. Other outcomes to measure in the future include the quality and cost of care provided under this partnership. Anticipated challenges to overcome include insufficient primary care networks, conflicting incentives, local competition, and the magnitude of the transformation. Still, the time is right for AMCs to commit to improving the health of populations.

Laser-induced particle size tuning and structural transformations in germanium nanoparticles prepared by stain etching and colloidal synthesis route

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

Karatutlu, Ali, E-mail: a.karatutlu@qmul.ac.uk, E-mail: ali.karatutlu@bou.edu.tr; Electrical and Electronics Engineering, Bursa Orhangazi University, 16310 Yıldırım/Bursa; Little, William

In this study, with the aid of Raman measurements, we have observed transformations in small (∼3 nm and ∼10 nm) free-standing Ge nanoparticles under laser light exposure. The nanoparticles were obtained by the chemical stain etching of a monocrystalline Ge wafer and of Ge powder and by colloidal synthesis route. We found that the transformation path depends on laser power and exposure time. At relatively low values of the laser power (2 mW) over a period of 100 min, the Raman signal indicates transformation of the sample from a nanocrystaline to bulk-like state, followed by partial oxidation and finally a conversion of themore » entire sample into alpha-quartz type GeO{sub 2}. However, when the laser power is set at 60 mW, we observed a heat release during an explosive crystallization of the nanocrystalline material into bulk Ge without noticeable signs of oxidation. Together with the transmission electron microscopy measurements, these results suggest that the chemical stain etching method for the preparation of porous Ge may not be a top-down process as has been widely considered, but a bottom up one. Systematic studies of the laser exposure on Ge nanoparticles prepared by colloidal synthesis results in the fact that the explosive crystallisation is common for H-terminated and partially disordered Ge nanoparticles regardless of its particle size. We suggest possible bio-medical applications for the observed phenomena.« less

Kinetic mechanism for reversible structural transition in MoTe2 induced by excess charge carriers

NASA Astrophysics Data System (ADS)

Rubel, O.

2018-06-01

Kinetic of a reversible structural transition between insulating (2H) and metallic (1T ') phases in a monolayer MoTe2 due to an electrostatic doping is studied using first-principle calculations. The driving force for the structural transition is the energy gained by transferring excess electrons from the bottom of the conduction band to lower energy gapless states in the metallic phase as have been noticed in earlier studies. The corresponding structural transformation involves dissociation of Mo-Te bonds (one per formula unit), which results in a kinetic energy barrier of 0.83 eV. The transformation involves a consecutive movement of atoms similar to a domain wall motion. The presence of excess charge carriers modifies not only the total energy of the initial and final states, but also lowers an energy of the transition state. An experimentally observed hysteresis in the switching process can be attributed to changes in the kinetic energy barrier due to its dependence on the excess carrier density.

Enhanced Photocatalytic Activity of Bismuth Precursor by Rapid Phase and Surface Transformation Using Structure-Guided Combustion Waves.

PubMed

Lee, Kang Yeol; Hwang, Hayoung; Kim, Tae Ho; Choi, Wonjoon

2016-02-10

The development of an efficient method for manipulating phase and surface transformations would facilitate the improvement of catalytic materials for use in a diverse range of applications. Herein, we present the first instance of a submicrosecond time frame direct phase and surface transformation of Bi(NO3)3 rods to nanoporous β-Bi2O3 rods via structure-guided combustion waves. Hybrid composites of the prepared Bi(NO3)3·H2O rods and organic fuel were fabricated by a facile preparation method. The anisotropic propagation of combustion waves along the interfacial boundaries of Bi(NO3)3·H2O rods induced direct phase transformation to β-Bi2O3 rods in the original structure due to the rapid pyrolysis, while the release of gas molecules enabled the formation of nanoporous structures on the surfaces of rods. The developed β-Bi2O3 rods showed improved photocatalytic activity for the photodegradation of rhodamine B in comparison with Bi(NO3)3·H2O rods and α-Bi2O3 rods due to the more suitable interdistance and the large contact areas of the porous surfaces. This new method of using structure-guided combustion waves for phase and surface transformation may contribute to the development of new catalysts as well as the precise manipulation of diverse micronanostructured materials.

Social Landscapes of the Inter-Mountain West: A Comparison of "Old West" and "New West" Communities

ERIC Educational Resources Information Center

Winkler, Richelle; Field, Donald R.; Luloff, A. E.; Krannich, Richard S.; Williams, Tracy

2007-01-01

Rural communities have experienced dramatic demographic, social, and economic transformations over the past 30 years. Historically characterized by close links between natural resources and social, cultural, and economic structures, few of today's rural communities remain heavily dependent upon traditional extractive industries like ranching,…

"A Fantasy of Untouchable Fullness": Melancholia and Resistance to Educational Transformation

ERIC Educational Resources Information Center

Stillwaggon, James

2017-01-01

The progressive language of growth and development that informs our shared ideal of the educated subject also informs the curricular structure of schooling, in which new learning builds upon established knowledge and students' development depends upon their desire to take on those identities associated with various achievements of knowledge. Each…

Exchange coupling transformations in Cu (II) heterospin complexes of “breathing crystals” under structural phase transitions

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

Morozov, Vitaly A.; Petrova, Marina V.; Lukzen, Nikita N., E-mail: luk@tomo.nsc.ru

2015-08-15

Family of “breathing crystals” is the polymer-chain complexes of Cu(hfac){sub 2} with nitroxides. The polymer chains consist of one-, two- or three-spin clusters. The “breathing crystals” experience simultaneous magnetic and Jahn-Teller type structural phase transitions with change of total cluster spin and drastic change of bond lengths (ca. 10-12%). For the first time the intra-cluster magnetic couplings in ”breathing crystals” have been calculated both by band structure methods GGA + U and hybrid DFT (B3LYP and PBE0) for the isolated exchange clusters. The temperature dependence of the magnetic coupling constant was calculated for two polymer-chain compounds of the “breathing crystal”more » family - C{sub 21}H{sub 19}CuF{sub 12}N{sub 4}O{sub 6} with the chains containing two-spin clusters and C{sub 22}H{sub 21}CuF{sub 12}N{sub 4}O{sub 6} with the chains of alternating three-spin clusters and one-spin sites. It was found that adding a Hubbard-like parameter not only to the copper 3d electrons but also to the oxygen 2p electrons (GGA + U{sub d} + U{sub p} approach) results in an improved description of exchange coupling in the “breathing crystal” compounds. At the same time treatment of the isolated clusters by a large basis hybrid DFT with high computational cost provides a similar quality fit of the experimental magneto-chemical data as that for the GGA + U{sub d} + U{sub p} band structure calculation scheme. Our calculations also showed that in spite of the abrupt transformation of the magnetic coupling constant under the phase transition, the band gap in the “breathing crystals” remains about the same value with temperature decrease.« less

Temperature Dependence of Optical Linewidth in Single InAs Quantum Dots

DTIC Science & Technology

2006-10-19

the linear temperature coefficient and its dependence on mesa size are described well by exciton scattering by acoustic phonons whose lifetimes are...transformation of a one-particle time-dependent exciton Green’s function. This is equivalent to using a two-particle interband correlation function in...For the disklike case of 2RL we neglect the lateral tunneling . The anisotropy of the valence band should be taken into account: mxy mz. For the

Modified neural networks for rapid recovery of tokamak plasma parameters for real time control

NASA Astrophysics Data System (ADS)

Sengupta, A.; Ranjan, P.

2002-07-01

Two modified neural network techniques are used for the identification of the equilibrium plasma parameters of the Superconducting Steady State Tokamak I from external magnetic measurements. This is expected to ultimately assist in a real time plasma control. As different from the conventional network structure where a single network with the optimum number of processing elements calculates the outputs, a multinetwork system connected in parallel does the calculations here in one of the methods. This network is called the double neural network. The accuracy of the recovered parameters is clearly more than the conventional network. The other type of neural network used here is based on the statistical function parametrization combined with a neural network. The principal component transformation removes linear dependences from the measurements and a dimensional reduction process reduces the dimensionality of the input space. This reduced and transformed input set, rather than the entire set, is fed into the neural network input. This is known as the principal component transformation-based neural network. The accuracy of the recovered parameters in the latter type of modified network is found to be a further improvement over the accuracy of the double neural network. This result differs from that obtained in an earlier work where the double neural network showed better performance. The conventional network and the function parametrization methods have also been used for comparison. The conventional network has been used for an optimization of the set of magnetic diagnostics. The effective set of sensors, as assessed by this network, are compared with the principal component based network. Fault tolerance of the neural networks has been tested. The double neural network showed the maximum resistance to faults in the diagnostics, while the principal component based network performed poorly. Finally the processing times of the methods have been compared. The double network and the principal component network involve the minimum computation time, although the conventional network also performs well enough to be used in real time.

Classical integrable defects as quasi Bäcklund transformations

NASA Astrophysics Data System (ADS)

Doikou, Anastasia

2016-10-01

We consider the algebraic setting of classical defects in discrete and continuous integrable theories. We derive the ;equations of motion; on the defect point via the space-like and time-like description. We then exploit the structural similarity of these equations with the discrete and continuous Bäcklund transformations. And although these equations are similar they are not exactly the same to the Bäcklund transformations. We also consider specific examples of integrable models to demonstrate our construction, i.e. the Toda chain and the sine-Gordon model. The equations of the time (space) evolution of the defect (discontinuity) degrees of freedom for these models are explicitly derived.

Effect of Hydrogen Adsorption on the Stone-Wales Transformation in Small-Diameter Carbon Nanotubes

NASA Astrophysics Data System (ADS)

Openov, L. A.; Podlivaev, A. I.

2018-04-01

The effect of hydrogenation of (4, 0) and (3, 0) carbon nanotubes on the Stone-Wales transformation is studied in the framework of the nonorthogonal tight-binding model. It is shown that the atomic hydrogen adsorption can lead to both a decrease and an increase in the barriers for the direct and inverse transformations depending on the orientation of a rotating C-C bond with respect to the nanotube axis. The characteristic times of formation and annealing the Stone-Wales defects have been estimated. The Young's moduli have been calculated.

Pycnogenol reduces talc-induced neoplastic transformation in human ovarian cell cultures.

PubMed

Buz'Zard, Amber R; Lau, Benjamin H S

2007-06-01

Talc and poor diet have been suggested to increase the risk of developing ovarian cancer; which can be reduced by a diet rich in fruit and vegetables. Talc is ubiquitous despite concern about its safety, role as a possible carcinogen and known ability to cause irritation and inflammation. It was recently shown that Pycnogenol (Pyc; a proprietary mixture of water-soluble bioflavonoids extracted from French maritime pine bark) was selectively toxic to established malignant ovarian germ cells. This study investigated talc-induced carcinogenesis and Pyc-induced chemoprevention. Normal human epithelial and granulosa ovarian cell lines and polymorphonuclear neutrophils (PMN) were treated with talc, or pretreated with Pyc then talc. Cell viability, reactive oxygen species (ROS) generation and neoplastic transformation by soft agar assay were measured. Talc increased proliferation, induced neoplastic transformation and increased ROS generation time-dependently in the ovarian cells and dose-dependently in the PMN. Pretreatment with Pyc inhibited the talc-induced increase in proliferation, decreased the number of transformed colonies and decreased the ROS generation in the ovarian cells. The data suggest that talc may contribute to ovarian neoplastic transformation and Pyc reduced the talc-induced transformation. Taken together, Pyc may prove to be a potent chemopreventative agent against ovarian carcinogenesis. (c) 2007 John Wiley & Sons, Ltd.

Investigation on the effects of temperature dependency of material parameters on a thermoelastic loading problem

NASA Astrophysics Data System (ADS)

Kumar, Anil; Mukhopadhyay, Santwana

2017-08-01

The present work is concerned with the investigation of thermoelastic interactions inside a spherical shell with temperature-dependent material parameters. We employ the heat conduction model with a single delay term. The problem is studied by considering three different kinds of time-dependent temperature and stress distributions applied at the inner and outer surfaces of the shell. The problem is formulated by considering that the thermal properties vary as linear function of temperature that yield nonlinear governing equations. The problem is solved by applying Kirchhoff transformation along with integral transform technique. The numerical results of the field variables are shown in the different graphs to study the influence of temperature-dependent thermal parameters in various cases. It has been shown that the temperature-dependent effect is more prominent in case of stress distribution as compared to other fields and also the effect is significant in case of thermal shock applied at the two boundary surfaces of the spherical shell.

Antisite defect types and temporal evolution characteristics of D022-Ni3V structure: Studied by the microscopic phase field

NASA Astrophysics Data System (ADS)

Zhang, Jing; Chen, Zheng; Zhang, Mingyi; Lai, Qingbo; Lu, Yanli; Wang, Yongxin

2009-08-01

Microscopic phase field simulation is performed to study antisite defect type and temporal evolution characteristic of D022-Ni3V structure in Ni75Al x V25- x ternary system. The result demonstrates that two types of antisite defect VNi and NiV coexist in D022 structure; however, the amount of NiV is far greater than VNi; when precipitates transform from D022 singe phase to two phases mixture of D022 and L12 with enhanced Al:V ratio, the amount of VNi has no evident response to the secondary L12 phase, while NiV exhibits a definitely contrary variation tendency: NiV rises without L12 structure precipitating from matrix but declines with it; temporal evolution characteristic and temperature dependent antisite defect VNi, NiV are also studied in this paper: The concentrations of the both defects decline from high antistructure state to equilibrium level with elapsed time but rise with elevated temperature; the ternary alloying element aluminium atom occupies both α and β sublattices of D022 structure with a strong site preference of substituting α site.

Electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clays. Role in U and Hg(II) transformations

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

Scherer, Michelle

2016-08-31

During this project, we investigated Fe electron transfer and atom exchange between aqueous Fe(II) and structural Fe(III) in clay minerals. We used selective chemical extractions, enriched Fe isotope tracer experiments, computational molecular modeling, and Mössbauer spectroscopy. Our findings indicate that structural Fe(III) in clay minerals is reduced by aqueous Fe(II) and that electron transfer occurs when Fe(II) is sorbed to either basal planes and edge OH-groups of clay mineral. Findings from highly enriched isotope experiments suggest that up to 30 % of the Fe atoms in the structure of some clay minerals exhanges with aqueous Fe(II). First principles calculations usingmore » a small polaron hopping approach suggest surprisingly fast electron mobility at room temperature in a nontronite clay mineral and are consistent with temperature dependent Mössbauer data Fast electron mobility suggests that electrons may be able to conduct through the mineral fast enough to enable exchange of Fe between the aqueous phase and clay mineral structure. over the time periods we observed. Our findings suggest that Fe in clay minerals is not as stable as previously thought.« less

Simulation and Implementation of a Morphology-Tuned Gold Nano-Islands Integrated Plasmonic Sensor

PubMed Central

Ozhikandathil, Jayan; Packirisamy, Muthukumaran

2014-01-01

This work presents simulation, analysis and implementation of morphology tuning of gold nano-island structures deposited by a novel convective assembly technique. The gold nano-islands were simulated using 3D Finite-Difference Time-Domain (FDTD) techniques to investigate the effect of morphological changes and adsorption of protein layers on the localized surface plasmon resonance (LSPR) properties. Gold nano-island structures were deposited on glass substrates by a novel and low-cost convective assembly process. The structure formed by an uncontrolled deposition method resulted in a nano-cluster morphology, which was annealed at various temperatures to tune the optical absorbance properties by transforming the nano-clusters to a nano-island morphology by modifying the structural shape and interparticle separation distances. The dependence of the size and the interparticle separation distance of the nano-islands on the LSPR properties were analyzed in the simulation. The effect of adsorption of protein layer on the nano-island structures was simulated and a relation between the thickness and the refractive index of the protein layer on the LSPR peak was presented. Further, the sensitivity of the gold nano-island integrated sensor against refractive index was computed and compared with the experimental results. PMID:24932868

Menzerath-Altmann Law: Statistical Mechanical Interpretation as Applied to a Linguistic Organization

NASA Astrophysics Data System (ADS)

Eroglu, Sertac

2014-10-01

The distribution behavior described by the empirical Menzerath-Altmann law is frequently encountered during the self-organization of linguistic and non-linguistic natural organizations at various structural levels. This study presents a statistical mechanical derivation of the law based on the analogy between the classical particles of a statistical mechanical organization and the distinct words of a textual organization. The derived model, a transformed (generalized) form of the Menzerath-Altmann model, was termed as the statistical mechanical Menzerath-Altmann model. The derived model allows interpreting the model parameters in terms of physical concepts. We also propose that many organizations presenting the Menzerath-Altmann law behavior, whether linguistic or not, can be methodically examined by the transformed distribution model through the properly defined structure-dependent parameter and the energy associated states.

Langmuir Probe Measurements in an Inductively Coupled GEC Reference Cell Plasma

NASA Technical Reports Server (NTRS)

Ji, J. S.; Kim, J. S.; Cappelli, M. A.; Sharma, S. P.; Arnold, J. O. (Technical Monitor)

1998-01-01

Measurements of electron number density, electron temperature, and electron energy distribution function (EEDF) using a compensated Langmuir probe have been performed on an inductively (transformer ) coupled Gaseous Electronics Conference (GEC) reference cell plasma. The plasma source is operated with CH4, CF4, or their mixtures with argon. The effect of independently driving the electrode supporting the wafer on the probe data is studied. In particular, we find that the plasma structure depends on the phase in addition to the magnitude of the power coupled to the electrode relative to that of the transformer coil. The Langmuir probe is translated in a plane parallel to the electrode to investigate the spatial structure of the plasma. The probe data is also compared with fluid model predictions.

Papillomavirus E6 oncoproteins

PubMed Central

Vande Pol, Scott B.; Klingelhutz, Aloysius J.

2013-01-01

Papillomaviruses induce benign and malignant epithelial tumors, and the viral E6 oncoprotein is essential for full transformation. E6 contributes to transformation by associating with cellular proteins, docking on specific acidic LXXLL peptide motifs found on the associated cellular proteins. This review examines insights from recent studies of human and animal E6 proteins that determine the three-dimensional structure of E6 when bound to acidic LXXLL peptides. The structure of E6 is related to recent advances in the purification and identification of E6 associated protein complexes. These E6 protein-complexes, together with other proteins that bind to E6, alter a broad array of biological outcomes including modulation of cell survival, cellular transcription, host cell differentiation, growth factor dependence, DNA damage responses, and cell cycle progression. PMID:23711382

Stereopsis, vertical disparity and relief transformations.

PubMed

Gårding, J; Porrill, J; Mayhew, J E; Frisby, J P

1995-03-01

The pattern of retinal binocular disparities acquired by a fixating visual system depends on both the depth structure of the scene and the viewing geometry. This paper treats the problem of interpreting the disparity pattern in terms of scene structure without relying on estimates of fixation position from eye movement control and proprioception mechanisms. We propose a sequential decomposition of this interpretation process into disparity correction, which is used to compute three-dimensional structure up to a relief transformation, and disparity normalization, which is used to resolve the relief ambiguity to obtain metric structure. We point out that the disparity normalization stage can often be omitted, since relief transformations preserve important properties such as depth ordering and coplanarity. Based on this framework we analyse three previously proposed computational models of disparity processing; the Mayhew and Longuet-Higgins model, the deformation model and the polar angle disparity model. We show how these models are related, and argue that none of them can account satisfactorily for available psychophysical data. We therefore propose an alternative model, regional disparity correction. Using this model we derive predictions for a number of experiments based on vertical disparity manipulations, and compare them to available experimental data. The paper is concluded with a summary and a discussion of the possible architectures and mechanisms underling stereopsis in the human visual system.

Degradation diagnosis of transformer insulating oils with terahertz time-domain spectroscopy

NASA Astrophysics Data System (ADS)

Kang, Seung Beom; Kim, Won-Seok; Chung, Dong Chul; Joung, Jong Man; Kwak, Min Hwan

2017-12-01

We report the frequency-dependent complex optical constants, refractive index and absorption, and complex dielectric properties over the frequency range from 0.2 to 3.0 THz for aged power transformer mineral insulating oils. These results have been obtained using terahertz time-domain spectroscopy (THz-TDS) and demonstrate the double-Debye relaxation behavior of the mineral insulating oil. The measured complex optical and dielectric characteristics can be important benchmarks for liquid molecular dynamics and theoretical studies of insulating oils. Due to clear differences in THz responses of aged mineral insulating oils, THz-TDS can be used as a novel on-site diagnostic technique to monitor the insulation condition in aged power transformers and may be valuable alternative to characterize other developing eco-friendly insulating oils and industrial liquids.

Decomposition and transformation of cutin and cutan biopolymers in soils: effect on their sorptive capabilities

NASA Astrophysics Data System (ADS)

Shechter, M.; Chefetz, B.

2009-04-01

Plant cuticle materials, especially the highly aliphatic biopolymers cutin and cutan, have been reported as highly efficient natural sorbents. The objective of this study was to examine the effects of decomposition on their sorption behavior with naphthol and phenanthrene. The level of cutin and cutan was reduced by 15 and 27% respectively during the first 3 mo of incubation. From that point, the level of the cutan did not change, while the level of the cutin continued to decrease up to 32% after 20 mo. 13C NMR analysis suggested transformation of cutan mainly within its alkyl-C structure which are assigned as crystalline moieties. Cutin, however, did not exhibit significant structure changes with time. The level of humic-like substances increased due to cutin decomposition but was not influenced in the cutan system after 20 mo of incubation. This indicates that the cutin biopolymer has been decomposed and transformed into humic-like substances, whereas the cutan was less subject to transformation. Decomposition affected sorption properties in similar trends for both cutin and cutan. The Freundlich capacity coefficients (KFOC) of naphthol were much lower than phenanthrene and were less influenced by the decomposition, whereas with phenanthrene KFOC values increased significantly with time. Naphthol exhibited non-linear isotherms; and nonlinearity was decreased with incubation time. In contrast, phenanthrene isotherms were more linear and showed only moderate change with time. The decrease in the linearity of naphthol isotherms might relate to the transformation of the sorption sites due to structural changes in the biopolymers. However, with phenanthrene, these changes did not affect sorption linearity but increased sorption affinities mainly for cutan. This is probably due to decomposition of the rigid alkyl-C moieties in the cutan biopolymer. Our data suggest that both biopolymers were relatively stable in the soil for 20 mo. Cutan is less degradable than cutin and therefore is more likely to accumulate in soils and contribute to the refractory aliphatic components of soil organic matter.

UV/chlorine treatment of carbamazepine: Transformation products and their formation kinetics.

PubMed

Pan, Yanheng; Cheng, ShuangShuang; Yang, Xin; Ren, Jingyue; Fang, Jingyun; Shang, Chii; Song, Weihua; Lian, Lushi; Zhang, Xinran

2017-06-01

Carbamazepine (CBZ) is one of the pharmaceuticals most frequently detected in the aqueous environment. This study investigated the transformation products when CBZ is degraded by chlorine under ultraviolet (UV) irradiation (the UV/chlorine process). Detailed pathways for the degradation of CBZ were elucidated using ultra-high performance liquid chromatography (UHPLC)-quadrupole time-of-flight mass spectrometry (QTOF-MS). CBZ is readily degraded by hydroxyl radicals (HO) and chlorine radicals (Cl) in the UV/chlorine process, and 24 transformation products were identified. The products indicate that the 10,11-double bond and aromatic ring in CBZ are the sites most susceptible to attack by HO and Cl. Subsequent reaction produces hydroxylated and chlorinated aromatic ring products. Four specific products were quantified and their evolution was related with the chlorine dose, pH, and natural organic matter concentration. Their yields showed an increase followed by a decreasing trend with prolonged reaction time. CBZ-10,11-epoxide (I), the main quantified transformation product from HO oxidation, was observed with a peak transformation yield of 3-32% depending on the conditions. The more toxic acridine (IV) was formed involving both HO and Cl with peak transformation yields of 0.4-1%. All four quantified products together amounted to a peak transformation yield of 34.5%. The potential toxicity of the transformation products was assayed by evaluating their inhibition of the bioluminescence of the bacterium Vibrio Fischeri. The inhibition increased at first and the decreased at longer reaction times, which was in parallel with the evolution of transformation products. Copyright © 2017 Elsevier Ltd. All rights reserved.

Phase transformation of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} and its disordered crystal structure at 1073 K

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

Kurokawa, Daisuke; R and D Center, Taiheiyo Cement Corporation, Chiba 285-8655; Takeda, Seiya

The phase transformation of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} and the crystal structure of its high-temperature phase were investigated by differential thermal analysis, temperature-dependent Raman spectroscopy and high-temperature X-ray powder diffraction (CuKα{sub 1}). We determined the starting temperature of the orthorhombic-to-cubic transformation during heating (=711 K) and that of the reverse transformation during cooling (=742 K). The thermal hysteresis was negative (=−31 K), suggesting the thermoelasticity of the transformation. The space group of the high temperature phase is I4{sup ¯}3m with the unit-cell dimensions of a=0.92426(2) nm and V=0.78955(2) nm{sup 3} (Z=2) at 1073 K. The initial structural model wasmore » derived by the direct methods and further refined by the Rietveld method. The final structural model showed the orientational disordering of SO{sub 4} tetrahedra. The maximum-entropy method-based pattern fitting method was used to confirm the validity of the split-atom model, in which conventional structure bias caused by assuming intensity partitioning was minimized. At around the transformation temperature during heating, the vibrational spectra, corresponding to the Raman-active SO{sub 4} internal stretching mode, showed the continuous and gradual change in the slope of full width at half maximum versus temperature curve. This strongly suggests that the orthorhombic-to-cubic phase transformation would be principally accompanied by the statistical disordering in orientation of the SO{sub 4} tetrahedra, without distinct dynamical reorientation. - Graphical abstract: (Left) Three-dimensional electron-density distributions of the SO{sub 4} tetrahedron with the split-atom model, and (right) a bird's eye view of electron densities on the plane parallel to (111). - Highlights: • Crystal structure of Ca{sub 4}[Al{sub 6}O{sub 12}]SO{sub 4} at 1073 K is determined by powder XRD. • The atom arrangements are represented by the split-atom model. • The MPF method is used to confirm the validity of the model. • The phase transition is accompanied by orientational disordering of SO{sub 4} tetrahedra.« less

A metrics for soil hydrological processes and their intrinsic dimensionality in heterogeneous systems

NASA Astrophysics Data System (ADS)

Lischeid, G.; Hohenbrink, T.; Schindler, U.

2012-04-01

Hydrology is based on the observation that catchments process input signals, e.g., precipitation, in a highly deterministic way. Thus, the Darcy or the Richards equation can be applied to model water fluxes in the saturated or vadose zone, respectively. Soils and aquifers usually exhibit substantial spatial heterogeneities at different scales that can, in principle, be represented by corresponding parameterisations of the models. In practice, however, data are hardly available at the required spatial resolution, and accounting for observed heterogeneities of soil and aquifer structure renders models very time and CPU consuming. We hypothesize that the intrinsic dimensionality of soil hydrological processes, which is induced by spatial heterogeneities, actually is very low and that soil hydrological processes in heterogeneous soils follow approximately the same trajectory. That means, the way how the soil transforms any hydrological input signals is the same for different soil textures and structures. Different soils differ only with respect to the extent of transformation of input signals. In a first step, we analysed the output of a soil hydrological model, based on the Richards equation, for homogeneous soils down to 5 m depth for different soil textures. A matrix of time series of soil matrix potential and soil water content at 10 cm depth intervals was set up. The intrinsic dimensionality of that matrix was assessed using the Correlation Dimension and a non-linear principal component approach. The latter provided a metrics for the extent of transformation ("damping") of the input signal. In a second step, model outputs for heterogeneous soils were analysed. In a last step, the same approaches were applied to 55 time series of observed soil water content from 15 sites and different depths. In all cases, the intrinsic dimensionality in fact was very close to unity, confirming our hypothesis. The metrics provided a very efficient tool to quantify the observed behaviour, depending on depth and soil heterogeneity: Different soils differed primarily with respect to the extent of damping per depth interval rather than to the kind of damping. We will show how that metrics can be used in a very efficient way for representing soil heterogeneities in simulation models.

Time-dependent spectral analysis of interactions within groups of walking pedestrians and vertical structural motion using wavelets

NASA Astrophysics Data System (ADS)

Bocian, M.; Brownjohn, J. M. W.; Racic, V.; Hester, D.; Quattrone, A.; Gilbert, L.; Beasley, R.

2018-05-01

A multi-scale and multi-object interaction phenomena can arise when a group of walking pedestrians crosses a structure capable of exhibiting dynamic response. This is because each pedestrian is an autonomous dynamic system capable of displaying intricate behaviour affected by social, psychological, biomechanical and environmental factors, including adaptations to the structural motion. Despite a wealth of mathematical models attempting to describe and simulate coupled crowd-structure system, their applicability can generally be considered uncertain. This can be assigned to a number of assumptions made in their development and the scarcity or unavailability of data suitable for their validation, in particular those associated with pedestrian-pedestrian and pedestrian-structure interaction. To alleviate this problem, data on behaviour of individual pedestrians within groups of six walkers with different spatial arrangements are gathered simultaneously with data on dynamic structural response of a footbridge, from a series of measurements utilising wireless motion monitors. Unlike in previous studies on coordination of pedestrian behaviour, the collected data can serve as a proxy for pedestrian vertical force, which is of critical importance from the point of view of structural stability. A bivariate analysis framework is proposed and applied to these data, encompassing wavelet transform, synchronisation measures based on Shannon entropy and circular statistics. A topological pedestrian map is contrived showing the strength and directionality of between-subjects interactions. It is found that the coordination in pedestrians' vertical force depends on the spatial collocation within a group, but it is generally weak. The relationship between the bridge and pedestrian behaviour is also analysed, revealing stronger propensity for pedestrians to coordinate their force with the structural motion rather than with each other.

Matrix Transformation in Boron Containing High-Temperature Co-Re-Cr Alloys

NASA Astrophysics Data System (ADS)

Strunz, Pavel; Mukherji, Debashis; Beran, Přemysl; Gilles, Ralph; Karge, Lukas; Hofmann, Michael; Hoelzel, Markus; Rösler, Joachim; Farkas, Gergely

2018-03-01

An addition of boron largely increases the ductility in polycrystalline high-temperature Co-Re alloys. Therefore, the effect of boron on the alloy structural characteristics is of high importance for the stability of the matrix at operational temperatures. Volume fractions of ɛ (hexagonal close-packed—hcp), γ (face-centered cubic—fcc) and σ (Cr2Re3 type) phases were measured at ambient and high temperatures (up to 1500 °C) for a boron-containing Co-17Re-23Cr alloy using neutron diffraction. The matrix phase undergoes an allotropic transformation from ɛ to γ structure at high temperatures, similar to pure cobalt and to the previously investigated, more complex Co-17Re-23Cr-1.2Ta-2.6C alloy. It was determined in this study that the transformation temperature depends on the boron content (0-1000 wt. ppm). Nevertheless, the transformation temperature did not change monotonically with the increase in the boron content but reached a minimum at approximately 200 ppm of boron. A probable reason is the interplay between the amount of boron in the matrix and the amount of σ phase, which binds hcp-stabilizing elements (Cr and Re). Moreover, borides were identified in alloys with high boron content.

The Influence of Mo, Cr and B Alloying on Phase Transformation and Mechanical Properties in Nb Added High Strength Dual Phase Steels

NASA Astrophysics Data System (ADS)

Girina, O.; Fonstein, N.; Yakubovsky, O.; Panahi, D.; Bhattacharya, D.; Jansto, S.

The influence of Nb, Mo, Cr and B on phase transformations and mechanical properties are studied in a 0.15C-2.0Mn-0.3Si-0.020Ti dual phase steel separately and in combination. The formation and decomposition of austenite together with recrystallization of ferrite are evaluated by dilatometry and constructed CCT-diagrams in laboratory processed cold rolled material cooled after full austenitization and from intercritical temperature range. The effect of alloying elements on formation of austenite through their effect on initial hot rolled structure is taken into account. The interpretation of phase transformations during heating and cooling is supported by metallography. The effect of alloying elements on mechanical properties and structure are evaluated by annealing simulations. It has been shown that mechanical properties are strongly influenced by alloying additions such as Nb, Mo, Cr and B through their effect on ferrite formation during continuous cooling and corresponding enrichment of remaining austenite by carbon. Depending on combined effect of these alloying elements, different phase transformations can be promoted during cooling. This allows controlling of final microstructural constituents and mechanical properties.

Neutron diffraction study of the martensitic transformation and chemical order in Heusler alloy Ni 1.91Mn 1.29Ga 0.8

DOE PAGES

Ari-Gur, Pnina; Garlea, Vasile O.; Cao, Huibo; ...

2015-11-05

In this study, Heusler alloys of Ni-Mn-Ga compositions demonstrate ferromagnetic shape memory effect in the martensitic state. The transformation temperature and the chemical order depend strongly on the composition. In the current work, the structure and chemical order of the martensitic phase of Ni 1.91Mn 1.29Ga 0.8 were studied using neutron diffraction; the diffraction pattern was refined using the FullProf software. It was determined that the structural transition occurs around 330 K. At room temperature, 300 K, which is below the martensite transformation temperature, all the Bragg reflections can be described by a monoclinic lattice with a symmetry of spacemore » group P 1 2/m 1 and lattice constants of a = 4.23047(7) [Å], b = 5.58333(6) [Å], c = 21.0179(2) [Å], beta = 90.328(1). The chemical order is of critical importance in these alloys, and it was previously studied at 363 K. Analysis of the neutron diffraction in the monoclinic phase shows that the chemical order is maintained during the martensitic transformation.« less

Thermal Behavior of an HSLA Steel and the Impact in Phase Transformation: Submerged Arc Welding (SAW) Process Approach to Pipelines

NASA Astrophysics Data System (ADS)

Costa, P. S.; Reyes-Valdés, F. A.; Saldaña-Garcés, R.; Delgado, E. R.; Salinas-Rodríguez, A.

Heat input during welding metal fusion generates different transformations, such as grain growth, hydrogen cracking, and the formation of brittle structures, generally associated with the heat-affected zone (HAZ). For this reason, it is very important to know the behavior of this area before welding. This paper presents a study of the thermal behavior and its effect on phase transformations in the HAZ, depending on cooling rates (0.1-200 °C/s) to obtain continuous cooling transformation (CCT) curves for an high-strength low-alloy (HSLA) steel. In order to determine the formed phases, optical microscopy and Vickers microhardness measurement were used. The experimental CCT curve was obtained from an HSLA steel, and the results showed that, with the used cooling conditions, the steel did not provide formation of brittle structures. Therefore, it is unlikely that welds made by submerged arc welding (SAW) may lead to hydrogen embrittlement in the HAZ, which is one of the biggest problems of cracking in gas conduction pipelines. In addition, with these results, it will be possible to control the microstructure to optimize the pipe fabrication with SAW process in industrial plants.

Sensing specific adhesion of liposomal and micellar systems with attached carbohydrate recognition structures at lectin surfaces.

PubMed

Hildebrand, Annegret; Schaedlich, Anita; Rothe, Ulrich; Neubert, Reinhard H H

2002-05-15

A quartz crystal microbalance was used to investigate the adsorption behavior of liposomes and mixed micelles with attached carbohydrate recognition structures at lectin-coated quartz plates. With a self-assembly technique, the quartz was coated with the lectin Concanavalin A. In a first attempt, liposomes of natural soybean PC as well as synthetic POPC, containing 10% reactive N-Glut-PE each, were decorated with a mannopyranoside recognition structure to investigate the specific adsorption at the lectin-coated quartz surface in dependence on the concentration. In a second model, the bile salt sodium cholate was introduced to solubilize the mannopyranoside-modified liposomes and to transform them into mannopyranoside-modified binary mixed micelles. The adsorption of these micelles was further investigated. In a third approach, the adsorption behavior of mannopyranoside-modified ternary mixed bile salt-phosphatidylcholine-fatty acid micelles was characterized with sodium laurate, palmitate, and oleate as fatty acids. The micelles with oleate showed only a small frequency decrease, whereas the micelles with laurate and palmitate induced higher frequency changes. A dependence on the alkyl chain length could be detected. While the adsorption of liposomes containing recognition structures at QCM surfaces is nowadays well-established, the QCM detection of the adsorption of mixed bile salt micelles, transformed from these liposomes by solubilization, is a novel and very promising field for the development of innovative colloidal drug delivery systems.

Theoretical study of band gap in CuAlO2: Pressure dependence and self-interaction correction

NASA Astrophysics Data System (ADS)

Nakanishi, Akitaka; Katayama-Yoshida, Hiroshi

2012-08-01

By using first-principles calculations, we studied the energy gaps of delafossite CuAlO2: (1) pressure dependence and (2) self-interaction correction (SIC). Our simulation shows that CuAlO2 transforms from a delafossite structure to a leaning delafossite structure at 60 GPa. The energy gap of CuAlO2 increases through the structural transition due to the enhanced covalency of Cu 3d and O 2p states. We implemented a self-interaction correction (SIC) into first-principles calculation code to go beyond local density approximation and applied it to CuAlO2. The energy gap calculated within the SIC is close to experimental data while one calculated without the SIC is about 1 eV smaller than the experimental data.

Visualization of conserved structures by fusing highly variable datasets.

PubMed

Silverstein, Jonathan C; Chhadia, Ankur; Dech, Fred

2002-01-01

Skill, effort, and time are required to identify and visualize anatomic structures in three-dimensions from radiological data. Fundamentally, automating these processes requires a technique that uses symbolic information not in the dynamic range of the voxel data. We were developing such a technique based on mutual information for automatic multi-modality image fusion (MIAMI Fuse, University of Michigan). This system previously demonstrated facility at fusing one voxel dataset with integrated symbolic structure information to a CT dataset (different scale and resolution) from the same person. The next step of development of our technique was aimed at accommodating the variability of anatomy from patient to patient by using warping to fuse our standard dataset to arbitrary patient CT datasets. A standard symbolic information dataset was created from the full color Visible Human Female by segmenting the liver parenchyma, portal veins, and hepatic veins and overwriting each set of voxels with a fixed color. Two arbitrarily selected patient CT scans of the abdomen were used for reference datasets. We used the warping functions in MIAMI Fuse to align the standard structure data to each patient scan. The key to successful fusion was the focused use of multiple warping control points that place themselves around the structure of interest automatically. The user assigns only a few initial control points to align the scans. Fusion 1 and 2 transformed the atlas with 27 points around the liver to CT1 and CT2 respectively. Fusion 3 transformed the atlas with 45 control points around the liver to CT1 and Fusion 4 transformed the atlas with 5 control points around the portal vein. The CT dataset is augmented with the transformed standard structure dataset, such that the warped structure masks are visualized in combination with the original patient dataset. This combined volume visualization is then rendered interactively in stereo on the ImmersaDesk in an immersive Virtual Reality (VR) environment. The accuracy of the fusions was determined qualitatively by comparing the transformed atlas overlaid on the appropriate CT. It was examined for where the transformed structure atlas was incorrectly overlaid (false positive) and where it was incorrectly not overlaid (false negative). According to this method, fusions 1 and 2 were correct roughly 50-75% of the time, while fusions 3 and 4 were correct roughly 75-100%. The CT dataset augmented with transformed dataset was viewed arbitrarily in user-centered perspective stereo taking advantage of features such as scaling, windowing and volumetric region of interest selection. This process of auto-coloring conserved structures in variable datasets is a step toward the goal of a broader, standardized automatic structure visualization method for radiological data. If successful it would permit identification, visualization or deletion of structures in radiological data by semi-automatically applying canonical structure information to the radiological data (not just processing and visualization of the data's intrinsic dynamic range). More sophisticated selection of control points and patterns of warping may allow for more accurate transforms, and thus advances in visualization, simulation, education, diagnostics, and treatment planning.

Analytical and phenomenological studies of rotating turbulence

NASA Technical Reports Server (NTRS)

Mahalov, Alex; Zhou, YE

1995-01-01

A framework, which combines mathematical analysis, closure theory, and phenomenological treatment, is developed to study the spectral transfer process and reduction of dimensionality in turbulent flows that are subject to rotation. First, we outline a mathematical procedure that is particularly appropriate for problems with two disparate time scales. The approach which is based on the Green's method leads to the Poincare velocity variables and the Poincare transformation when applied to rotating turbulence. The effects of the rotation are now reflected in the modifications to the convolution of a nonlinear term. The Poincare transformed equations are used to obtain a time-dependent analog of the Taylor-Proudman theorem valid in the asymptotic limit when the non-dimensional parameter mu is identical to Omega(t) approaches infinity (Omega is the rotation rate and t is the time). The 'split' of the energy transfer in both direct and inverse directions is established. Secondly, we apply the Eddy-Damped-Quasinormal-Markovian (EDQNM) closure to the Poincare transformed Euler/Navier-Stokes equations. This closure leads to expressions for the spectral energy transfer. In particular, an unique triple velocity decorrelation time is derived with an explicit dependence on the rotation rate. This provides an important input for applying the phenomenological treatment of Zhou. In order to characterize the relative strength of rotation, another non-dimensional number, a spectral Rossby number, which is defined as the ratio of rotation and turbulence time scales, is introduced. Finally, the energy spectrum and the spectral eddy viscosity are deduced.

Isospectral Hamiltonian for position-dependent mass for an arbitrary quantum system and coherent states

NASA Astrophysics Data System (ADS)

Yahiaoui, Sid-Ahmed; Bentaiba, Mustapha

2017-06-01

By means of the unitary transformation, a new way for discussing the ordering prescription of the Schrödinger equation with a position-dependent mass (PDM) for isospectral Hamiltonian operators is presented. We show that the ambiguity parameter choices in the kinetic part of the Hamiltonian can be explained through an exact SUSY QM symmetry as well as a consequence of an accidental symmetry under the Z2 action. By making use of the unitary transformation, we construct coherent states for a family of PDM isospectral Hamiltonians from a suitable choice of ladder operators. We show that these states preserve the usual structure of Klauder-Perelomov's states and thus saturate and minimize the position-momentum uncertainty relation (PMUR) under some special restrictions. We show that PMUR properties can be used to determine the sign of the superpotential.

Dissipative time-dependent quantum transport theory: Quantum interference and phonon induced decoherence dynamics

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

Zhang, Yu, E-mail: zhy@yangtze.hku.hk; Chen, GuanHua, E-mail: ghc@everest.hku.hk; Yam, ChiYung

2015-04-28

A time-dependent inelastic electron transport theory for strong electron-phonon interaction is established via the equations of motion method combined with the small polaron transformation. In this work, the dissipation via electron-phonon coupling is taken into account in the strong coupling regime, which validates the small polaron transformation. The corresponding equations of motion are developed, which are used to study the quantum interference effect and phonon-induced decoherence dynamics in molecular junctions. Numerical studies show clearly quantum interference effect of the transport electrons through two quasi-degenerate states with different couplings to the leads. We also found that the quantum interference can bemore » suppressed by the electron-phonon interaction where the phase coherence is destroyed by phonon scattering. This indicates the importance of electron-phonon interaction in systems with prominent quantum interference effect.« less

Latent heat contribution to the direct magnetocaloric effect in Ni-Mn-Ga shape memory alloys with coupled martensitic and magnetic transformations

NASA Astrophysics Data System (ADS)

Caballero-Flores, R.; Sánchez-Alarcos, V.; Recarte, V.; Pérez-Landazábal, J. I.; Gómez-Polo, C.

2016-05-01

We report the direct magnetocaloric response of materials that present a second-order phase transition in the temperature range where a first-order structural transition also occurs. In particular, the influence of the latent heat on the field-induced adiabatic temperature change has been analyzed in a Ni-Mn-Ga alloy with coupled martensitic and magnetic transformations. It is found that discrepancies around 20% arise depending on whether the latent heat is taken into account or not. From the observed results, a general expression for the indirect determination of the adiabatic temperature change, that takes into account the contributions of both the martensitic and magnetic transformations, is proposed and experimentally confirmed. The observed key role of the latent heat allows us to understand why materials with first-order transformations do not present adiabatic temperature changes as higher as those which would correspond to materials undergoing second-order transformations with similar isothermal entropy change.

Optical and magneto-optical studies of martensitic transformation in Ni-Mn-Ga magnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Beran, L.; Cejpek, P.; Kulda, M.; Antos, R.; Holy, V.; Veis, M.; Straka, L.; Heczko, O.

2015-05-01

Optical and magneto-optical properties of single crystal of Ni50.1Mn28.4Ga21.5 magnetic shape memory alloy during its transformation from martensite to austenite phase were systematically studied. Crystal orientation was approximately along {100} planes of parent cubic austenite. X-ray reciprocal mapping confirmed modulated 10 M martensite phase. Temperature depended measurements of saturation magnetization revealed the martensitic transformation at 335 K during heating. Magneto-optical spectroscopy and spectroscopic ellipsometry were measured in the sample temperature range from 297 to 373 K and photon energy range from 1.2 to 6.5 eV. Magneto-optical spectra of polar Kerr rotation as well as the spectra of ellipsometric parameter Ψ exhibited significant changes when crossing the transformation temperature. These changes were assigned to different optical properties of Ni-Mn-Ga in martensite and austenite phases due to modification of electronic structure near the Fermi energy during martensitic transformation.

Trans-acting RNAs as molecular probes for monitoring time-dependent structural change of an RNA complex adapting two structures.

PubMed

Maeda, Yuri; Furuta, Hiroyuki; Ikawa, Yoshiya

2011-03-01

As dynamic structural changes are pivotal for the functions of some classes of RNA molecule, it is important to develop methods to monitor structural changes in RNA in a time-dependent manner without chemical modification. Based on previous reports that trans-acting RNAs can be used as probes for analysis and control of 3D structures of target RNAs, we applied this method to monitor time-dependent structural changes in RNA. We designed and performed a proof-of-principle study using a simple model RNA complex that adopts two different structures as a target. The time-dependent structural changes in the target RNA were successfully monitored using two trans-acting RNAs, which stably form a ternary complex with the bimolecular target RNA and act as a catalyst to join two RNA fragments of the target complex, respectively. Copyright © 2010 The Society for Biotechnology, Japan. Published by Elsevier B.V. All rights reserved.

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

Beran, L.; Cejpek, P.; Kulda, M.

Optical and magneto-optical properties of single crystal of Ni{sub 50.1}Mn{sub 28.4}Ga{sub 21.5} magnetic shape memory alloy during its transformation from martensite to austenite phase were systematically studied. Crystal orientation was approximately along (100) planes of parent cubic austenite. X-ray reciprocal mapping confirmed modulated 10 M martensite phase. Temperature depended measurements of saturation magnetization revealed the martensitic transformation at 335 K during heating. Magneto-optical spectroscopy and spectroscopic ellipsometry were measured in the sample temperature range from 297 to 373 K and photon energy range from 1.2 to 6.5 eV. Magneto-optical spectra of polar Kerr rotation as well as the spectra of ellipsometric parameter Ψ exhibitedmore » significant changes when crossing the transformation temperature. These changes were assigned to different optical properties of Ni-Mn-Ga in martensite and austenite phases due to modification of electronic structure near the Fermi energy during martensitic transformation.« less

Sensing Surveillance & Navigation

DTIC Science & Technology

2012-03-07

Removing Atmospheric Turbulence Goal: to restore a single high quality image from the observed sequence Prof. Peyman...Computer Sciences – Higher wavelet studies , time-scale, time-frequency transformations, Reduced Signature Targets, Low Probability of Intercept...Range Dependent Beam -patterns •Electronic Steering with Frequency Offsets •Inherent Countermeasure Capability Why? W1(t) W2(t) W3

Changes in cell surface structure by viral transformation studied by binding of lectins differing in sugar specificity.

PubMed

Tsuda, M; Kurokawa, T; Takeuchi, M; Sugino, Y

1975-10-01

Changes in cell surface structure by viral transformation were studied by examining changes in the binding of various lectins differing in carbohydrate specificities. Binding of lectins was assayed directly using cells grown in coverslips. The following 125I-lectins were used: Concanavalin-A (specific for glucose and mannose), wheat germ agglutinin (specific for N-acetylglucosamine), castor bean agglutinin (specific for galactose), Wistaria floribunda agglutinin (specific for N-acetylgalactosamine), and soybean agglutinin (specific for N-acetyl-galactosamine). Cells for a clone, SS7, transformed by bovine adenovirus type-3, were found to bind 5 to 6 times more Wistaria floribunda agglutinin than the normal counterpart cells (clone C31, from C3H mouse kidney). In contrast, the binding of soybean agglutinin, which has a sugar specificity similar to Wistaria floribunda agglutinin, to normal and transformed cells was similar. The binding of wheat germ agglutinin and castor bean agglutinin, respectively, to normal and transformed cells was also similar. However, normal cells bound twice as much concanavalin-A as transformed cells. Only half as much Wistaria floribunda agglutinin was bound to transformed cells when they had been dispersed with EDTA. These changes in the number of lectin binding sites on transformation are thought to reflect alteration of the cell surface structure. The amount of lectins bound per cell decreased with increase in cell density, especially in the case of binding of Wistaria floribunda agglutinin to normal cells.

Addressing Spatial Dependence Bias in Climate Model Simulations—An Independent Component Analysis Approach

NASA Astrophysics Data System (ADS)

Nahar, Jannatun; Johnson, Fiona; Sharma, Ashish

2018-02-01

Conventional bias correction is usually applied on a grid-by-grid basis, meaning that the resulting corrections cannot address biases in the spatial distribution of climate variables. To solve this problem, a two-step bias correction method is proposed here to correct time series at multiple locations conjointly. The first step transforms the data to a set of statistically independent univariate time series, using a technique known as independent component analysis (ICA). The mutually independent signals can then be bias corrected as univariate time series and back-transformed to improve the representation of spatial dependence in the data. The spatially corrected data are then bias corrected at the grid scale in the second step. The method has been applied to two CMIP5 General Circulation Model simulations for six different climate regions of Australia for two climate variables—temperature and precipitation. The results demonstrate that the ICA-based technique leads to considerable improvements in temperature simulations with more modest improvements in precipitation. Overall, the method results in current climate simulations that have greater equivalency in space and time with observational data.

Ideal quantum gas in an expanding cavity: nature of nonadiabatic force.

PubMed

Nakamura, K; Avazbaev, S K; Sobirov, Z A; Matrasulov, D U; Monnai, T

2011-04-01

We consider a quantum gas of noninteracting particles confined in the expanding cavity and investigate the nature of the nonadiabatic force which is generated from the gas and acts on the cavity wall. First, with use of the time-dependent canonical transformation, which transforms the expanding cavity to the nonexpanding one, we can define the force operator. Second, applying the perturbative theory, which works when the cavity wall begins to move at time origin, we find that the nonadiabatic force is quadratic in the wall velocity and thereby does not break the time-reversal symmetry, in contrast with general belief. Finally, using an assembly of the transitionless quantum states, we obtain the nonadiabatic force exactly. The exact result justifies the validity of both the definition of the force operator and the issue of the perturbative theory. The mysterious mechanism of nonadiabatic transition with the use of transitionless quantum states is also explained. The study is done for both cases of the hard- and soft-wall confinement with the time-dependent confining length. ©2011 American Physical Society

Phase transformations in SrAl2Si2O8 glass

NASA Technical Reports Server (NTRS)

Drummond, Charles H., III; Bansal, Narottam P.

1992-01-01

Bulk glass of SrAl2Si2O8 composition crystallized at temperatures below 1000 C into hexacelsian, a hexagonal phase which undergoes a reversible, rapid transformation to an orthorhombic phase at 758 C, and at higher temperatures crystallized as celsian, a monoclinic phase. The glass transition temperature and crystallization onset temperature were determined to be 883 C and 1086 C, respectively, from DSC at a heating rate of 20 C/min. Thermal expansion of the various phases and density and bend strengths of cold isostatically pressed glass powder bars, sintered at various temperatures, were measured. The kinetics of the hexacelsian-to-celsian transformation for SrAl2Si2O8 were studied. Hexacelsian flakes were isothermally heat treated at temperatures from 1025-1200 C for various times. Avrami plots were determined by quantitatively measuring the amount of monoclinic celsian formed at various times using x ray diffraction. The Avrami constant was determined to be 1.1, suggesting a diffusionless, one dimensional transformation mechanism. The activation energy was determined from an Arrhenius plot of 1n k vs. 1/T to be 125 kilocal/mole. This value is consistent with a mechanism which transforms the layered hexacelsian structure to a three dimensional framework celsian structure and involves the breaking of Si-O bonds.

Efficient block preconditioned eigensolvers for linear response time-dependent density functional theory

NASA Astrophysics Data System (ADS)

Vecharynski, Eugene; Brabec, Jiri; Shao, Meiyue; Govind, Niranjan; Yang, Chao

2017-12-01

We present two efficient iterative algorithms for solving the linear response eigenvalue problem arising from the time dependent density functional theory. Although the matrix to be diagonalized is nonsymmetric, it has a special structure that can be exploited to save both memory and floating point operations. In particular, the nonsymmetric eigenvalue problem can be transformed into an eigenvalue problem that involves the product of two matrices M and K. We show that, because MK is self-adjoint with respect to the inner product induced by the matrix K, this product eigenvalue problem can be solved efficiently by a modified Davidson algorithm and a modified locally optimal block preconditioned conjugate gradient (LOBPCG) algorithm that make use of the K-inner product. The solution of the product eigenvalue problem yields one component of the eigenvector associated with the original eigenvalue problem. We show that the other component of the eigenvector can be easily recovered in an inexpensive postprocessing procedure. As a result, the algorithms we present here become more efficient than existing methods that try to approximate both components of the eigenvectors simultaneously. In particular, our numerical experiments demonstrate that the new algorithms presented here consistently outperform the existing state-of-the-art Davidson type solvers by a factor of two in both solution time and storage.

Multiscale characterization and prediction of monsoon rainfall in India using Hilbert-Huang transform and time-dependent intrinsic correlation analysis

NASA Astrophysics Data System (ADS)

Adarsh, S.; Reddy, M. Janga

2017-07-01

In this paper, the Hilbert-Huang transform (HHT) approach is used for the multiscale characterization of All India Summer Monsoon Rainfall (AISMR) time series and monsoon rainfall time series from five homogeneous regions in India. The study employs the Complete Ensemble Empirical Mode Decomposition with Adaptive Noise (CEEMDAN) for multiscale decomposition of monsoon rainfall in India and uses the Normalized Hilbert Transform and Direct Quadrature (NHT-DQ) scheme for the time-frequency characterization. The cross-correlation analysis between orthogonal modes of All India monthly monsoon rainfall time series and that of five climate indices such as Quasi Biennial Oscillation (QBO), El Niño Southern Oscillation (ENSO), Sunspot Number (SN), Atlantic Multi Decadal Oscillation (AMO), and Equatorial Indian Ocean Oscillation (EQUINOO) in the time domain showed that the links of different climate indices with monsoon rainfall are expressed well only for few low-frequency modes and for the trend component. Furthermore, this paper investigated the hydro-climatic teleconnection of ISMR in multiple time scales using the HHT-based running correlation analysis technique called time-dependent intrinsic correlation (TDIC). The results showed that both the strength and nature of association between different climate indices and ISMR vary with time scale. Stemming from this finding, a methodology employing Multivariate extension of EMD and Stepwise Linear Regression (MEMD-SLR) is proposed for prediction of monsoon rainfall in India. The proposed MEMD-SLR method clearly exhibited superior performance over the IMD operational forecast, M5 Model Tree (MT), and multiple linear regression methods in ISMR predictions and displayed excellent predictive skill during 1989-2012 including the four extreme events that have occurred during this period.

A computational study of diffusion in a glass-forming metallic liquid

DOE PAGES

Wang, T.; Zhang, F.; Yang, L.; ...

2015-06-09

In this study, liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In our computational study, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a generalmore » formulation for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. Furthermore, the composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.« less

Effect of different annealing condition on the structural and magnetic properties of Mn2NiGa Heusler alloys

NASA Astrophysics Data System (ADS)

Vagadia, Megha; Hester, James; Nigam, A. K.

2018-04-01

We studied the effect of different annealing conditions on structural and magnetic properties of Mn2NiGa Heusler alloys. Reitveld refinement of neutron diffraction pattern at RT confirms the tetragonal structure with cubic phase for I-W quenched alloy whereas Le Bail fitting trials performed on neutron diffraction pattern collected for other three alloys confirm 7M monoclinic structure with cubic phase. It is found that starting and finish temperatures associated with martensite and austenite phase transformation depends strongly on the cooling rate corresponding to different cooling techniques. Slow furnace cooled sample possesses the highest martensite start temperature above room temperature ˜ 326K which decreases to ˜ 198K for ice -water quenched sample. Variation in the drop in the magnetization around MS obtained upon warming from martensite to austenite phase under ZFC cycle suggests that change in the cooling condition strongly affects the magnetization in the low temperature martensite phase. Present results suggest that by varying the cooling rate, martensite transformation as well as the martensite structure can be tuned.

Molecular modeling of the AhR structure and interactions can shed light on ligand-dependent activation and transformation mechanisms.

PubMed

Bonati, Laura; Corrada, Dario; Tagliabue, Sara Giani; Motta, Stefano

2017-02-01

Molecular modeling has given important contributions to elucidation of the main stages in the AhR signal transduction pathway. Despite the lack of experimentally determined structures of the AhR functional domains, information derived from homologous systems has been exploited for modeling their structure and interactions. Homology models of the AhR PASB domain have provided information on the binding cavity and contributed to elucidate species-specific differences in ligand binding. Molecular Docking simulations of the ligand binding process have given insights into differences in binding of diverse agonists, antagonists, and selective AhR modulators, and their application to virtual screening of large databases of compounds have allowed identification of novel AhR ligands. Recently available structural information on protein-protein and protein-DNA complexes of other bHLH-PAS systems has opened the way for modeling the AhR:ARNT dimer structure and investigating the mechanisms of AhR transformation and DNA binding. Future research directions should include simulation of the protein dynamics to obtain a more reliable description of intermolecular interactions involved in signal transmission.

Solvent-Dependent Delamination, Restacking, and Ferroelectric Behavior in a New Charge-Separated Layered Compound: [NH4 ][Ag3 (C9 H5 NO4 S)2 (C13 H14 N2 )2 ]⋅8 H2 O.

PubMed

Sushrutha, Sringeri Ramesh; Mohana, Shivanna; Pal, Somnath; Natarajan, Srinivasan

2017-01-03

A new anionic coordination polymer, [NH 4 ][Ag 3 (C 9 H 5 NO 4 S) 2 (C 13 H 14 N 2 ) 2 ]⋅8 H 2 O, with a two-dimensional structure, has been synthesized by a reaction between silver nitrate, 8-hydroxyquinoline-5-sulfonic acid (HQS), and 4,4'-trimethylene dipyridine (TMDP). The compound stabilizes in a noncentrosymmetric space group, and the lattice water molecules and the charge-compensating [NH 4 ] + group occupy the inter-lamellar spaces. The lattice water molecules can be fully removed and reinserted, which is accompanied by a crystalline-amorphous-crystalline transformation. This transformation resembles the collapse/delamination and restacking of the layers. To the best of our knowledge, this is the first observation of delamination and restacking in an inorganic coordination polymer that contains silver. The presence of a natural dipole (the anionic framework and cationic ammonium ions) along with the noncentrosymmetric space group gives rise to the room-temperature ferroelectric behavior of the compound. The ferroelectric behavior is also water-dependent and exhibits a ferroelectric-paraelectric transformation. The temperature-dependent dielectric measurements indicate that the ferroelectric/ paraelectric transformation occurs at 320 K. This transformation has also been investigated by using in-situ IR spectroscopy and PXRD studies. The second-harmonic generation (SHG) study indicated values that are comparable to some of the known SHG solids, such as potassium dihydrogen phosphate (KDP) and urea. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Hydrograph structure informed calibration in the frequency domain with time localization

NASA Astrophysics Data System (ADS)

Kumarasamy, K.; Belmont, P.

2015-12-01

Complex models with large number of parameters are commonly used to estimate sediment yields and predict changes in sediment loads as a result of changes in management or conservation practice at large watershed (>2000 km2) scales. As sediment yield is a strongly non-linear function that responds to channel (peak or mean) velocity or flow depth, it is critical to accurately represent flows. The process of calibration in such models (e.g., SWAT) generally involves the adjustment of several parameters to obtain better estimates of goodness of fit metrics such as Nash Sutcliff Efficiency (NSE). However, such indicators only provide a global view of model performance, potentially obscuring accuracy of the timing or magnitude of specific flows of interest. We describe an approach for streamflow calibration that will greatly reduce the black-box nature of calibration, when response from a parameter adjustment is not clearly known. Fourier Transform or the Short Term Fourier Transform could be used to characterize model performance in the frequency domain as well, however, the ambiguity of a Fourier transform with regards to time localization renders its implementation in a model calibration setting rather useless. Brief and sudden changes (e.g. stream flow peaks) in signals carry the most interesting information from parameter adjustments, which are completely lost in the transform without time localization. Wavelet transform captures the frequency component in the signal without compromising time and is applied to contrast changes in signal response to parameter adjustments. Here we employ the mother wavelet called the Mexican hat wavelet and apply a Continuous Wavelet Transform to understand the signal in the frequency domain. Further, with the use of the cross-wavelet spectrum we examine the relationship between the two signals (prior or post parameter adjustment) in the time-scale plane (e.g., lower scales correspond to higher frequencies). The non-stationarity of the streamflow signal does not hinder this assessment and regions of change called boundaries of influence (seasons or time when such change occurs in the hydrograph) for each parameter are delineated. In addition, we can discover the structural component of the signal (e.g., shifts or amplitude change) that has changed.

Frequency conversion by the transformation-optical analogue of the cosmological redshift

NASA Astrophysics Data System (ADS)

Ginis, Vincent; Tassin, Philippe; Craps, Ben; Veretennicoff, Irina

2011-10-01

Recently, there has been a lot of interest in electromagnetic analogues of general relativistic effects. Using the techniques of transformation optics, the material parameters of table-top devices have been calculated such that they implement several effects that occur in outer space, e.g., the implementation of an artificial event horizon inside an optical fiber, an inhomogeneous refractive index profile to mimic celestial mechanics, or an omnidirectional absorber based on an equivalence with black holes. In this communication, we show how we have extended the framework of transformation optics to a time-dependent metric-the Robertson-Walker metric, a popular model for our universe describing the cosmological redshift. This redshift occurs due to the expansion of the universe, where a photon of frequency ωem emitted at instance tem, will be measured at a different frequency ωobs at time tobs. The relation between these two frequencies is given by ωobsa(tobs) = ωema(tem), where a(t) is the time-dependent scale factor of the expanding universe. Our results show that the transformation-optical analogue of the Robertson-Walker metric is a medium with linear, isotropic, and homogeneous material parameters that evolve as a given function of time. The electromagnetic solutions inside such a medium are frequency shifted according to the cosmological redshift formula. Furthermore, we have demonstrated that a finite slab of such a material allows for the frequency conversion of an optical signal without the creation of unwanted sidebands. Because the medium is linear, the superposition principle remains applicable and arbitrary wavepackets can be converted [V. Ginis, P. Tassin, B. Craps, and I. Veretennicoff Opt. Express 18, 5350-5355 (2010)1].

Influence of sample preparation on the transformation of low-density to high-density amorphous ice: An explanation based on the potential energy landscape

NASA Astrophysics Data System (ADS)

Giovambattista, Nicolas; Starr, Francis W.; Poole, Peter H.

2017-07-01

Experiments and computer simulations of the transformations of amorphous ices display different behaviors depending on sample preparation methods and on the rates of change of temperature and pressure to which samples are subjected. In addition to these factors, simulation results also depend strongly on the chosen water model. Using computer simulations of the ST2 water model, we study how the sharpness of the compression-induced transition from low-density amorphous ice (LDA) to high-density amorphous ice (HDA) is influenced by the preparation of LDA. By studying LDA samples prepared using widely different procedures, we find that the sharpness of the LDA-to-HDA transformation is correlated with the depth of the initial LDA sample in the potential energy landscape (PEL), as characterized by the inherent structure energy. Our results show that the complex phenomenology of the amorphous ices reported in experiments and computer simulations can be understood and predicted in a unified way from knowledge of the PEL of the system.

A temporal-spatial postprocessing model for probabilistic run-off forecast. With a case study from Ulla-Førre with five catchments and ten lead times

NASA Astrophysics Data System (ADS)

Engeland, K.; Steinsland, I.

2012-04-01

This work is driven by the needs of next generation short term optimization methodology for hydro power production. Stochastic optimization are about to be introduced; i.e. optimizing when available resources (water) and utility (prices) are uncertain. In this paper we focus on the available resources, i.e. water, where uncertainty mainly comes from uncertainty in future runoff. When optimizing a water system all catchments and several lead times have to be considered simultaneously. Depending on the system of hydropower reservoirs, it might be a set of headwater catchments, a system of upstream /downstream reservoirs where water used from one catchment /dam arrives in a lower catchment maybe days later, or a combination of both. The aim of this paper is therefore to construct a simultaneous probabilistic forecast for several catchments and lead times, i.e. to provide a predictive distribution for the forecasts. Stochastic optimization methods need samples/ensembles of run-off forecasts as input. Hence, it should also be possible to sample from our probabilistic forecast. A post-processing approach is taken, and an error model based on Box- Cox transformation, power transform and a temporal-spatial copula model is used. It accounts for both between catchment and between lead time dependencies. In operational use it is strait forward to sample run-off ensembles from this models that inherits the catchment and lead time dependencies. The methodology is tested and demonstrated in the Ulla-Førre river system, and simultaneous probabilistic forecasts for five catchments and ten lead times are constructed. The methodology has enough flexibility to model operationally important features in this case study such as hetroscadasety, lead-time varying temporal dependency and lead-time varying inter-catchment dependency. Our model is evaluated using CRPS for marginal predictive distributions and energy score for joint predictive distribution. It is tested against deterministic run-off forecast, climatology forecast and a persistent forecast, and is found to be the better probabilistic forecast for lead time grater then two. From an operational point of view the results are interesting as the between catchment dependency gets stronger with longer lead-times.

Transfer Function Identification Using Orthogonal Fourier Transform Modeling Functions

NASA Technical Reports Server (NTRS)

Morelli, Eugene A.

2013-01-01

A method for transfer function identification, including both model structure determination and parameter estimation, was developed and demonstrated. The approach uses orthogonal modeling functions generated from frequency domain data obtained by Fourier transformation of time series data. The method was applied to simulation data to identify continuous-time transfer function models and unsteady aerodynamic models. Model fit error, estimated model parameters, and the associated uncertainties were used to show the effectiveness of the method for identifying accurate transfer function models from noisy data.

Frugivore-Mediated Selection in A Habitat Transformation Scenario

PubMed Central

Fontúrbel, Francisco E.; Medel, Rodrigo

2017-01-01

Plant-animal interactions are strong drivers of phenotypic evolution. However, the extent to which anthropogenic habitat transformation creates new selective scenarios for plant-animal interactions is a little explored subject. We examined the effects of native forest replacement by exotic Eucalyptus trees on the frugivore-mediated phenotypic selection coefficients imposed by the relict marsupial Dromiciops gliroides upon traits involved in frugivore attraction and germination success of the mistletoe Tristerix corymbosus (Loranthaceae). We found significant gradients for seed weight and sugar content along the native - transformed habitat gradient. While selection for larger seed weight was more relevant in native habitats, fruits with intermediate sugar content were promoted in transformed habitats. The spatial habitat structure and microclimate features such as the degree of sunlight received influenced the natural selection processes, as they correlated with the phenotypic traits analysed. The response of this plant-frugivore interaction to human disturbance seemed to be context-dependent, in which extremely transformed habitats would offer new opportunities for natural selection on dispersal-related traits. Even in recent transformation events like this, human disturbance acts as a strong contemporary evolution driver. PMID:28349942

Prediction of ttt curves of cold working tool steels using support vector machine model

NASA Astrophysics Data System (ADS)

Pillai, Nandakumar; Karthikeyan, R., Dr.

2018-04-01

The cold working tool steels are of high carbon steels with metallic alloy additions which impart higher hardenability, abrasion resistance and less distortion in quenching. The microstructure changes occurring in tool steel during heat treatment is of very much importance as the final properties of the steel depends upon these changes occurred during the process. In order to obtain the desired performance the alloy constituents and its ratio plays a vital role as the steel transformation itself is complex in nature and depends very much upon the time and temperature. The proper treatment can deliver satisfactory results, at the same time process deviation can completely spoil the results. So knowing time temperature transformation (TTT) of phases is very critical which varies for each type depending upon its constituents and proportion range. To obtain adequate post heat treatment properties the percentage of retained austenite should be lower and metallic carbides obtained should be fine in nature. Support vector machine is a computational model which can learn from the observed data and use these to predict or solve using mathematical model. Back propagation feedback network will be created and trained for further solutions. The points on the TTT curve for the known transformations curves are used to plot the curves for different materials. These data will be trained to predict TTT curves for other steels having similar alloying constituents but with different proportion range. The proposed methodology can be used for prediction of TTT curves for cold working steels and can be used for prediction of phases for different heat treatment methods.

Structural, electrical properties and dielectric relaxations in Na+-ion-conducting solid polymer electrolyte.

PubMed

Arya, Anil; Sharma, A L

2018-04-25

In this paper, we have studied the structural, microstructural, electrical, dielectric properties and ion dynamics of a sodium-ion-conducting solid polymer electrolyte film comprising PEO 8 -NaPF 6 +  x wt. % succinonitrile. The structural and surface morphology properties have been investigated, respectively using x-ray diffraction and field emission scanning electron microscopy. The complex formation was examined using Fourier transform infrared spectroscopy, and the fraction of free anions/ion pairs obtained via deconvolution. The complex dielectric permittivity and loss tangent has been analyzed across the whole frequency window, and enables us to estimate the DC conductivity, dielectric strength, double layer capacitance and relaxation time. The presence of relaxing dipoles was determined by the addition of succinonitrile (wt./wt.) and the peak shift towards high frequency indicates the decrease of relaxation time. Further, relations among various relaxation times ([Formula: see text]) have been elucidated. The complex conductivity has been examined across the whole frequency window; it obeys the Universal Power Law, and displays strong dependency on succinonitrile content. The sigma representation ([Formula: see text]) was introduced in order to explore the ion dynamics by highlighting the dispersion region in the Cole-Cole plot ([Formula: see text]) in the lower frequency window; increase in the semicircle radius indicates a decrease of relaxation time. This observation is accompanied by enhancement in ionic conductivity and faster ion transport. A convincing, logical scheme to justify the experimental data has been proposed.

Bounding solutions of geometrically nonlinear viscoelastic problems

NASA Technical Reports Server (NTRS)

Stubstad, J. M.; Simitses, G. J.

1985-01-01

Integral transform techniques, such as the Laplace transform, provide simple and direct methods for solving viscoelastic problems formulated within a context of linear material response and using linear measures for deformation. Application of the transform operator reduces the governing linear integro-differential equations to a set of algebraic relations between the transforms of the unknown functions, the viscoelastic operators, and the initial and boundary conditions. Inversion either directly or through the use of the appropriate convolution theorem, provides the time domain response once the unknown functions have been expressed in terms of sums, products or ratios of known transforms. When exact inversion is not possible approximate techniques may provide accurate results. The overall problem becomes substantially more complex when nonlinear effects must be included. Situations where a linear material constitutive law can still be productively employed but where the magnitude of the resulting time dependent deformations warrants the use of a nonlinear kinematic analysis are considered. The governing equations will be nonlinear integro-differential equations for this class of problems. Thus traditional as well as approximate techniques, such as cited above, cannot be employed since the transform of a nonlinear function is not explicitly expressible.

Bounding solutions of geometrically nonlinear viscoelastic problems

NASA Technical Reports Server (NTRS)

Stubstad, J. M.; Simitses, G. J.

1986-01-01

Integral transform techniques, such as the Laplace transform, provide simple and direct methods for solving viscoelastic problems formulated within a context of linear material response and using linear measures for deformation. Application of the transform operator reduces the governing linear integro-differential equations to a set of algebraic relations between the transforms of the unknown functions, the viscoelastic operators, and the initial and boundary conditions. Inversion either directly or through the use of the appropriate convolution theorem, provides the time domain response once the unknown functions have been expressed in terms of sums, products or ratios of known transforms. When exact inversion is not possible approximate techniques may provide accurate results. The overall problem becomes substantially more complex when nonlinear effects must be included. Situations where a linear material constitutive law can still be productively employed but where the magnitude of the resulting time dependent deformations warrants the use of a nonlinear kinematic analysis are considered. The governing equations will be nonlinear integro-differential equations for this class of problems. Thus traditional as well as approximate techniques, such as cited above, cannot be employed since the transform of a nonlinear function is not explicitly expressible.

Time scale dependent negative emission potential of forests and biomass plantations via wood burial, torrefied biomass, biochar and pyrogas condensate sequestration in soil

NASA Astrophysics Data System (ADS)

Schmidt, Hans-Peter; Kammann, Claudia; Lucht, Wolfgang; Gerten, Dieter; Foidl, Nikolaus

2017-04-01

The efficiency of Negative Emission Technologies (NET) is dependent on (1) the transformation of the biomass carbon into a form that can be sequestered, (2) the mean residence time of the sequestered carbon, (3) the regrowth and thus carbon re-accumulation of the harvested biomass, and (4) the positive or negative priming of soil carbon. These four parameters define the time scale dependent C-balance of various NET-Systems and permit a global economic and environmental evaluation. As far as geologic CO2 storage is considered to be feasible with close to zero losses and if the energy for transport, transformation and disposal is taken from the process bioenergy, conventional BE-CCS has a C sequestration potential of 50 - 70 % depending on the type of biomass and the technology used. Beside unknown risks of deep stored CO2 and high costs, regrowth of C-accumulating biomass is hampered in the long-term as not only carbon but also essential soil nutrients are mined. Under this scenario, biomass regrowth is expected to slow down and soil carbon content to decrease. These factors enlarge the time horizon until a BE-CCS system becomes carbon neutral and eventual carbon negative (when biomass regrowth exceeds the difference between the harvested biomass carbon and BE-CCS stored carbon). Thermal treatment of biomass under a low oxygen regime (torrefaction, pyrolysis, gasification) can transform up to 85% of biomass carbon into various solid and liquid forms of recalcitrant carbon that can be sequestered. Depending on the process parameters and temperature, the mean residence time of the torrefied or pyrolysed biomass can last from several decennials to centennials when applied to the soil of the biomass production site. The carbon can thus be stored at comparatively low costs within the ecosystem itself. As the thermal treatment preserves most of the biomass-accumulated nutrients (except N), natural nutrient cycles are maintained within the biomass system. Depending on the quality of the charred biomass (biochar), post thermal treatment and plant nutrient enhancement, regrowth is expected to accelerate and soil carbon content to increase. Overall, the time until such a biochar based CSS systems generates negative carbon emissions (biomass regrowth exceeds the C-loss from CSS transformation) can thus be reduced compared to BE-CCS while increasing the sustainability of the global biomass production system and fostering ecosystem services. In our presentation we will provide first assessments of various biochar-based CCS systems and compare them to conventional BE-CCS, an evaluation of their global time scale dependent C-sequestration potential and their economic frame. E.g. (1) a biochar system with pyrolysis temperatures of 750°C and without liquefying the pyrolysis gases delivers a very recalcitrant biochar but the C-efficiency is low (40%) and fostering of regrowth is only about 10-15%. A (2) biochar system with trunk burial, pyrolysis of needles, bark, twigs, and branches with organic N-enhancement, and pyrolysis gas condensation and chemical oxidation could achieve a C-efficiency of 85% to 90% and foster regrowth over a time scale of 60% by up to 50%. Future challenges of biochar classification, certification, ecotoxicology, C-leaching, carbon credits and integration into agro-forestry practices will be discussed.

Identification of the structure parameters using short-time non-stationary stochastic excitation

NASA Astrophysics Data System (ADS)

Jarczewska, Kamila; Koszela, Piotr; Śniady, PaweŁ; Korzec, Aleksandra

2011-07-01

In this paper, we propose an approach to the flexural stiffness or eigenvalue frequency identification of a linear structure using a non-stationary stochastic excitation process. The idea of the proposed approach lies within time domain input-output methods. The proposed method is based on transforming the dynamical problem into a static one by integrating the input and the output signals. The output signal is the structure reaction, i.e. structure displacements due to the short-time, irregular load of random type. The systems with single and multiple degrees of freedom, as well as continuous systems are considered.

Characterization of a Structural Transformation of Carbon Nanotube Materials by Raman Spectroscopy

NASA Technical Reports Server (NTRS)

Cui, Y.; Burger, A.; Zhu, S.; Su, C.-H.; Lehoczky, S. L.; Whitaker, Ann F. (Technical Monitor)

2001-01-01

Raman spectra of carbon nanotubes and carbon microstructure materials synthesized on Si substrates by pulsed laser vaporization have been measured in the range of 50/cm to 4500/cm with the excitation of He-Ne laser. It is found that the formation of nanotubes depends strongly on the growth temperatures and high quality multi-wall and single-wall nanotubes were produced at 700 and 990 C, respectively. The Raman spectra of one sample grown at 700 C were found to be dependent on the excitation intensity. The spectra of the sample suggest that the structure is similar to that of multi-wall nanotubes at low excitation intensity (2.5 kW/sq cm) and it converts to the structure of single-wall nanotubes at higher intensity (25 kW/sq cm). Measurements taken while cycling the light intensity indicate a reversible structural transition.

Time-dependent changes in mortality and transformation risk in MDS

PubMed Central

Tuechler, Heinz; Sanz, Guillermo; Schanz, Julie; Garcia-Manero, Guillermo; Solé, Francesc; Bennett, John M.; Bowen, David; Fenaux, Pierre; Dreyfus, Francois; Kantarjian, Hagop; Kuendgen, Andrea; Malcovati, Luca; Cazzola, Mario; Cermak, Jaroslav; Fonatsch, Christa; Le Beau, Michelle M.; Slovak, Marilyn L.; Levis, Alessandro; Luebbert, Michael; Maciejewski, Jaroslaw; Machherndl-Spandl, Sigrid; Magalhaes, Silvia M. M.; Miyazaki, Yasushi; Sekeres, Mikkael A.; Sperr, Wolfgang R.; Stauder, Reinhard; Tauro, Sudhir; Valent, Peter; Vallespi, Teresa; van de Loosdrecht, Arjan A.; Germing, Ulrich; Haase, Detlef; Greenberg, Peter L.

2016-01-01

In myelodysplastic syndromes (MDSs), the evolution of risk for disease progression or death has not been systematically investigated despite being crucial for correct interpretation of prognostic risk scores. In a multicenter retrospective study, we described changes in risk over time, the consequences for basal prognostic scores, and their potential clinical implications. Major MDS prognostic risk scoring systems and their constituent individual predictors were analyzed in 7212 primary untreated MDS patients from the International Working Group for Prognosis in MDS database. Changes in risk of mortality and of leukemic transformation over time from diagnosis were described. Hazards regarding mortality and acute myeloid leukemia transformation diminished over time from diagnosis in higher-risk MDS patients, whereas they remained stable in lower-risk patients. After approximately 3.5 years, hazards in the separate risk groups became similar and were essentially equivalent after 5 years. This fact led to loss of prognostic power of different scoring systems considered, which was more pronounced for survival. Inclusion of age resulted in increased initial prognostic power for survival and less attenuation in hazards. If needed for practicability in clinical management, the differing development of risks suggested a reasonable division into lower- and higher-risk MDS based on the IPSS-R at a cutoff of 3.5 points. Our data regarding time-dependent performance of prognostic scores reflect the disparate change of risks in MDS subpopulations. Lower-risk patients at diagnosis remain lower risk whereas initially high-risk patients demonstrate decreasing risk over time. This change of risk should be considered in clinical decision making. PMID:27335276

Analysis of spike-wave discharges in rats using discrete wavelet transform.

PubMed

Ubeyli, Elif Derya; Ilbay, Gül; Sahin, Deniz; Ateş, Nurbay

2009-03-01

A feature is a distinctive or characteristic measurement, transform, structural component extracted from a segment of a pattern. Features are used to represent patterns with the goal of minimizing the loss of important information. The discrete wavelet transform (DWT) as a feature extraction method was used in representing the spike-wave discharges (SWDs) records of Wistar Albino Glaxo/Rijswijk (WAG/Rij) rats. The SWD records of WAG/Rij rats were decomposed into time-frequency representations using the DWT and the statistical features were calculated to depict their distribution. The obtained wavelet coefficients were used to identify characteristics of the signal that were not apparent from the original time domain signal. The present study demonstrates that the wavelet coefficients are useful in determining the dynamics in the time-frequency domain of SWD records.

Fast Atomic-Scale Chemical Imaging of Crystalline Materials and Dynamic Phase Transformations.

PubMed

Lu, Ping; Yuan, Ren Liang; Ihlefeld, Jon F; Spoerke, Erik David; Pan, Wei; Zuo, Jian Min

2016-04-13

Atomic-scale phenomena fundamentally influence materials form and function that makes the ability to locally probe and study these processes critical to advancing our understanding and development of materials. Atomic-scale chemical imaging by scanning transmission electron microscopy (STEM) using energy-dispersive X-ray spectroscopy (EDS) is a powerful approach to investigate solid crystal structures. Inefficient X-ray emission and collection, however, require long acquisition times (typically hundreds of seconds), making the technique incompatible with electron-beam sensitive materials and study of dynamic material phenomena. Here we describe an atomic-scale STEM-EDS chemical imaging technique that decreases the acquisition time to as little as one second, a reduction of more than 100 times. We demonstrate this new approach using LaAlO3 single crystal and study dynamic phase transformation in beam-sensitive Li[Li0.2Ni0.2Mn0.6]O2 (LNMO) lithium ion battery cathode material. By capturing a series of time-lapsed chemical maps, we show for the first time clear atomic-scale evidence of preferred Ni-mobility in LNMO transformation, revealing new kinetic mechanisms. These examples highlight the potential of this approach toward temporal, atomic-scale mapping of crystal structure and chemistry for investigating dynamic material phenomena.

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

Hudgins, L.H.

After a brief review of the elementary properties of Fourier Transforms, the Wavelet Transform is defined in Part I. Basic results are given for admissable wavelets. The Multiresolution Analysis, or MRA (a mathematical structure which unifies a large class of wavelets with Quadrature Mirror Filters) is then introduced. Some fundamental aspects of wavelet design are then explored. The Discrete Wavelet Transform is discussed and, in the context of an MRA, is seen to supply a Fast Wavelet Transform which competes with the Fast Fourier Transform for efficiency. In Part II, the Wavelet Transform is developed in terms of the scalemore » number variable s instead of the scale length variable a where a = 1/s. Basic results such as the admissibility condition, conservation of energy, and the reconstruction theorem are proven in this context. After reviewing some motivation for the usual Fourier power spectrum, a definition is given for the wavelet power spectrum. This `spectral density` is then intepreted in the context of spectral estimation theory. Parseval`s theorem for Wavelets then leads naturally to the Wavelet Cross Spectrum, Wavelet Cospectrum, and Wavelet Quadrature Spectrum. Wavelet Transforms are then applied in Part III to the analysis of atmospheric turbulence. Data collected over the ocean is examined in the wavelet transform domain for underlying structure. A brief overview of atmospheric turbulence is provided. Then the overall method of applying Wavelet Transform techniques to time series data is described. A trace study is included, showing some of the aspects of choosing the computational algorithm, and selection of a specific analyzing wavelet. A model for generating synthetic turbulence data is developed, and seen to yield useful results in comparing with real data for structural transitions. Results from the theory of Wavelet Spectral Estimation and Wavelength Cross-Transforms are applied to studying the momentum transport and the heat flux.« less

Bismuth oxyhalide nanomaterials: layered structures meet photocatalysis

NASA Astrophysics Data System (ADS)

Li, Jie; Yu, Ying; Zhang, Lizhi

2014-07-01

In recent years, layered bismuth oxyhalide nanomaterials have received more and more interest as promising photocatalysts because their unique layered structures endow them with fascinating physicochemical properties; thus, they have great potential photocatalytic applications for environment remediation and energy harvesting. In this article, we explore the synthesis strategies and growth mechanisms of layered bismuth oxyhalide nanomaterials, and propose design principles of tailoring a layered configuration to control the nanoarchitectures for high efficient photocatalysis. Subsequently, we focus on their layered structure dependent properties, including pH-related crystal facet exposure and phase transformation, facet-dependent photoactivity and molecular oxygen activation pathways, so as to clarify the origin of the layered structure dependent photoreactivity. Furthermore, we summarize various strategies for modulating the composition and arrangement of layered structures to enhance the photoactivity of nanostructured bismuth oxyhalides via internal electric field tuning, dehalogenation effect, surface functionalization, doping, plasmon modification, and heterojunction construction, which may offer efficient guidance for the design and construction of high-performance bismuth oxyhalide-based photocatalysis systems. Finally, we highlight some crucial issues in engineering the layered-structure mediated properties of bismuth oxyhalide photocatalysts and provide tentative suggestions for future research on increasing their photocatalytic performance.

Even in Public Television, Ownership Changes Matter.

ERIC Educational Resources Information Center

Lashley, Marilyn E.

1992-01-01

Shows that executive turnover through four administrations (1967-89) has kept public broadcasting mired in budgetary crises, transforming its goals, structure, and programing content over time. Describes policy preferences imposed by administrators, identifies attendant modifications in organizational structure, and delineates effects of these…

Urban structure analysis of mega city Mexico City using multisensoral remote sensing data

NASA Astrophysics Data System (ADS)

Taubenböck, H.; Esch, T.; Wurm, M.; Thiel, M.; Ullmann, T.; Roth, A.; Schmidt, M.; Mehl, H.; Dech, S.

2008-10-01

Mega city Mexico City is ranked the third largest urban agglomeration to date around the globe. The large extension as well as dynamic urban transformation and sprawl processes lead to a lack of up-to-date and area-wide data and information to measure, monitor, and understand the urban situation. This paper focuses on the capabilities of multisensoral remotely sensed data to provide a broad range of products derived from one scientific field - remote sensing - to support urban managing and planning. Therefore optical data sets from the Landsat and Quickbird sensors as well as radar data from the Shuttle Radar Topography Mission (SRTM) and the TerraSAR-X sensor are utilised. Using the multi-sensoral data sets the analysis are scale-dependent. On the one hand change detection on city level utilising the derived urban footprints enables to monitor and to assess spatiotemporal urban transformation, areal dimension of urban sprawl, its direction, and the built-up density distribution over time. On the other hand, structural characteristics of an urban landscape - the alignment and types of buildings, streets and open spaces - provide insight in the very detailed physical pattern of urban morphology on higher scale. The results show high accuracies of the derived multi-scale products. The multi-scale analysis allows quantifying urban processes and thus leading to an assessment and interpretation of urban trends.

Advanced Characterization Techniques for Sodium-Ion Battery Studies

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

Shadike, Zulipiya; Zhao, Enyue; Zhou, Yong-Ning

Sodium (Na)-ion batteries (NIBs) are considered promising alternative candidates to the well-commercialized lithium-ion batteries, especially for applications in large-scale energy storage systems. The electrochemical performance of NIBs such as the cyclability, rate capability, and voltage profiles are strongly dependent on the structural and morphological evolution, phase transformation, sodium-ion diffusion, and electrode/electrolyte interface reconstruction during charge–discharge cycling. Therefore, in-depth understanding of the structure and kinetics of electrode materials and the electrode/electrolyte interfaces is essential for optimizing current NIB systems and exploring new materials for NIBs. Recently, rapid progress and development in spectroscopic, microscopic, and scattering techniques have provided extensive insight intomore » the nature of structural evolution, morphological changes of electrode materials, and electrode/electrolyte interface in NIBs. Here in this review, a comprehensive overview of both static (ex situ) and real-time (in situ or in operando) techniques for studying the NIBs is provided. Lastly, special focus is placed on how these techniques are applied to the fundamental investigation of NIB systems and what important results are obtained.« less

Advanced Characterization Techniques for Sodium-Ion Battery Studies

DOE PAGES

Shadike, Zulipiya; Zhao, Enyue; Zhou, Yong-Ning; ...

2018-02-19

Sodium (Na)-ion batteries (NIBs) are considered promising alternative candidates to the well-commercialized lithium-ion batteries, especially for applications in large-scale energy storage systems. The electrochemical performance of NIBs such as the cyclability, rate capability, and voltage profiles are strongly dependent on the structural and morphological evolution, phase transformation, sodium-ion diffusion, and electrode/electrolyte interface reconstruction during charge–discharge cycling. Therefore, in-depth understanding of the structure and kinetics of electrode materials and the electrode/electrolyte interfaces is essential for optimizing current NIB systems and exploring new materials for NIBs. Recently, rapid progress and development in spectroscopic, microscopic, and scattering techniques have provided extensive insight intomore » the nature of structural evolution, morphological changes of electrode materials, and electrode/electrolyte interface in NIBs. Here in this review, a comprehensive overview of both static (ex situ) and real-time (in situ or in operando) techniques for studying the NIBs is provided. Lastly, special focus is placed on how these techniques are applied to the fundamental investigation of NIB systems and what important results are obtained.« less

Calculation of optimal modes for electric-contact welding of rails of mine haulage tracks

NASA Astrophysics Data System (ADS)

Shevchenko, R. A.; Kozyrev, N. A.; Usoltsev, A. A.; Kriukov, R. E.; Shishkin, P. E.

2017-09-01

The choice of thermal regime is based on the exclusion of formation of quenching structures (martensite and bainite), causing additional stresses and cracks which lead to the destruction of rails. After welded joint upset and cooling at the time of reaching the required temperature it is proposed to perform quasi-isothermal exposure by passing pulses of alternating current through the welded joint. The method for calculating the quasi-isothermal exposure is described that depends on the strength of the welding current and different rails section. It is suggested that after welding the rails during quenching, a quasi-isothermal holding is carried out in the temperature range of the formation of the fine-dispersed structure by passing pulses of alternating electric current through the welded joint maintaining this temperature until the end of the transformation. It is shown that the use of quasi-isothermal exposure at a chosen temperature of 600 - 650 °C makes it possible to obtain a finely dispersed structure of the welded seam of rails of mine haulage tracks without additional heat treatment.

Surface modification and stability of detonation nanodiamonds in microwave gas discharge plasma

NASA Astrophysics Data System (ADS)

Stanishevsky, Andrei V.; Walock, Michael J.; Catledge, Shane A.

2015-12-01

Detonation nanodiamonds (DND), with low hydrogen content, were exposed to microwave plasma generated in pure H2, N2, and O2 gases and their mixtures, and investigated using X-ray diffraction (XRD), Fourier Transform Infrared (FTIR), Raman, and X-ray photoelectron spectroscopies. Considerable alteration of the DND surface was observed under the plasma conditions for all used gases, but the diamond structure of the DND particle core was preserved in most cases. The stabilizing effect of H2 in H2/N2 and H2/O2 binary gas plasmas on the DND structure and the temperature-dependent formation of various CNHx surface groups in N2 and H2/N2 plasmas were observed and discussed for the first time. DND surface oxidation and etching were the main effects of O2 plasma, whereas the N2 plasma led to DND surfaces rich in amide groups below 1073 K and nitrile groups at higher temperatures. Noticeable graphitization of the DND core structure was detected only in N2 plasma when the substrate temperature was above 1103 K.

New transformations between crystalline and amorphous ice

NASA Technical Reports Server (NTRS)

Hemley, R. J.; Chen, L. C.; Mao, H. K.

1989-01-01

High-pressure optical and spectroscopic techniques were used to obtain directly the ice I(h) - hda-ice transformation in a diamond-anvil cell, and the stability of the amorphous form is examined as functions of pressure and temperature. It is demonstrated that hda-ice transforms abruptly at 4 GPa and 77 K to a crystalline phase close in structure to orientationally disordered ice-VII and to a more highly ordered, ice-VIII-like structure at higher temperatures. This is the first time that an amorphous solid is observed to convert to a crystalline solid at low temperatures by compression alone. Phase transitions of this type may be relevant on icy planetary satellites, and there may also be implications for the high-pressure behavior of silica.

Time-frequency analysis of electric motors

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

Bentley, C.L.; Dunn, M.E.; Mattingly, J.K.

1995-12-31

Physical signals such as the current of an electric motor become nonstationary as a consequence of degraded operation and broken parts. In this instance, their power spectral densities become time dependent, and time-frequency analysis techniques become the appropriate tools for signal analysis. The first among these techniques, generally called the short-time Fourier transform (STFT) method, is the Gabor transform 2 (GT) of a signal S(t), which decomposes the signal into time-local frequency modes: where the window function, {Phi}(t-{tau}), is a normalized Gaussian. Alternatively, one can decompose the signal into its multi-resolution representation at different levels of magnification. This representation ismore » achieved by the continuous wavelet transform (CWT) where the function g(t) is a kernel of zero average belonging to a family of scaled and shifted wavelet kernels. The CWT can be interpreted as the action of a microscope that locates the signal by the shift parameter b and adjusts its magnification by changing the scale parameter a. The Fourier-transformed CWT, W,{sub g}(a, {omega}), acts as a filter that places the high-frequency content of a signal into the lower end of the scale spectrum and vice versa for the low frequencies. Signals from a motor in three different states were analyzed.« less

Hydrothermal synthesis of Nd3+-doped heterojunction ms/tz-BiVO4 and its enhanced photocatalytic performance

NASA Astrophysics Data System (ADS)

Chen, Ruizhi; Wang, Weixuan; Jiang, Dongmei; Chu, Xiaoxuan; Ma, Xueming; Zhan, Qingfeng

2018-06-01

BiVO4 photocatalysts with different Nd3+ doping content were prepared by a hydrothermal method with varied hydrothermal reaction time. The effects of Nd3+ doping on phase transformation, morphology, chemical valence, optical properties and photocatalytic activities were investigated. With different reaction time, phase transformation from tetragonal zircon (tz-BiVO4) to monoclinic scheelite (ms-BiVO4) could be found, and Nd3+ doping played a suppressive role in this process. Scanning electron microscopy showed the morphology evolved from irregular structure to rod-like shapes with phase transformation. The photoluminescence induced by Nd3+ doping could be confirmed by UV-vis diffuse reflectance spectra. Photocatalytic performance tests had been performed under simulated solar conditions and sample with 1 at% Nd3+ doping and 5 h reaction time showed the best performance (89% degradation rate in 90 min). The pH also showed great influence on morphology and phase transformation of samples. Finally, the phyotocatalytic mechanism and effects of Nd3+ in phase transformation were discussed.

Reaction of diazepam and related benzodiazepines with chlorine. Kinetics, transformation products and in-silico toxicological assessment.

PubMed

Carpinteiro, Inmaculada; Rodil, Rosario; Quintana, José Benito; Cela, Rafael

2017-09-01

In this work, the reaction of four benzodiazepines (diazepam, oxazepam, nordazepam and temazepam) during water chlorination was studied by means of liquid chromatography-quadrupole-time of flight-mass spectrometry (LC-QTOF-MS). For those compounds that showed a significant degradation, i.e. diazepam, oxazepam and nordazepam, parameters affecting to the reaction kinetics (pH, chlorine and bromide level) were studied in detail and transformation products were tentatively identified. The oxidation reactions followed pseudofirst-order kinetics with rate constants in the range of 1.8-42.5 M -1  s -1 , 0.13-1.16 M -1  s -1 and 0.04-20.4 M -1  s -1 corresponding to half-life values in the range of 1.9-146 min, 1.8-87 h and 2.5-637 h for oxazepam, nordazepam and diazepam, respectively, depending of the levels of studied parameters. Chlorine and pH affected significantly the reaction kinetics, where an increase of the pH resulted into a decrease of the reaction rate, whereas higher chlorine dosages led to faster kinetics, as expected in this case. The transformation of the studied benzodiazepines occurs mainly at the 1,4-diazepine 7-membered-ring, resulting in ring opening to form benzophenone derivatives or the formation of a 6-membered pyrimidine ring, leading to quinazoline derivatives. The formation of these by-products was also tested in real surface water samples observing kinetics of oxazepam degradation slower in river than in creek water, while the degradation of the two other benzodiazepines occurred only in the simpler sample (creek water). Finally, the acute and chronical toxicity and mutagenicity of precursors and transformation products were estimated using quantitative structure-activity relationship (QSAR) software tools: Ecological Structure Activity Relationships (ECOSAR) and Toxicity Estimation Software Tool (TEST), finding that some transformation products could be more toxic/mutagenic than the precursor drug, but additional test would be needed to confirm this fact. Copyright © 2017 Elsevier Ltd. All rights reserved.

Topological transformations of Hopf solitons in chiral ferromagnets and liquid crystals.

PubMed

Tai, Jung-Shen B; Ackerman, Paul J; Smalyukh, Ivan I

2018-01-30

Liquid crystals are widely known for their facile responses to external fields, which forms a basis of the modern information display technology. However, switching of molecular alignment field configurations typically involves topologically trivial structures, although singular line and point defects often appear as short-lived transient states. Here, we demonstrate electric and magnetic switching of nonsingular solitonic structures in chiral nematic and ferromagnetic liquid crystals. These topological soliton structures are characterized by Hopf indices, integers corresponding to the numbers of times that closed-loop-like spatial regions (dubbed "preimages") of two different single orientations of rod-like molecules or magnetization are linked with each other. We show that both dielectric and ferromagnetic response of the studied material systems allow for stabilizing a host of topological solitons with different Hopf indices. The field transformations during such switching are continuous when Hopf indices remain unchanged, even when involving transformations of preimages, but discontinuous otherwise.

Reactions and Surface Transformations of a Bone-Bioactive Material in a Simulated Microgravity Environment

NASA Technical Reports Server (NTRS)

Radin, S.; Ducheyne, P.; Ayyaswamy, P. S.

1999-01-01

A comprehensive program to investigate the expeditious in vitro formation of three-dimensional bone-like tissue is currently underway at the University of Pennsylvania. The study reported here forms a part of that program. Three-dimensional bone-like tissue structures may be grown under the simulated microgravity conditions of NASA designed Rotating Wall Bioreactor Vessels (RWV's). Such tissue growth will have wide clinical applications. In addition, an understanding of the fundamental changes that occur to bone cells under simulated microgravity would yield important information that will help in preventing or minimizing astronaut bone loss, a major health issue with travel or stay in space over long periods of time. The growth of three-dimensional bone-like tissue structures in RWV's is facilitated by the use of microcarriers which provide structural support. If the microcarrier material additionally promotes bone cell growth, then it is particularly advantageous to employ such microcarriers. We have found that reactive, bone-bioactive glass (BBG) is an attractive candidate for use as microcarrier material. Specifically, it has been found that BBG containing Ca- and P- oxides upregulates osteoprogenitor cells to osteoblasts. This effect on cells is preceded by BBG reactions in solution which result in the formation of a Ca-P surface layer. This surface further transforms to a bone-like mineral (i.e., carbonated crystalline hydroxyapatite (c-HA)). At normal gravity, time-dependent, immersion-induced BBG reactions and transformations are greatly affected both by variations in the composition of the milieu in which the glass is immersed and on the immersion conditions. However, the nature of BBG reactions and phase transformations under the simulated microgravity conditions of RWV's are unknown, and must be understood in order to successfully use BBG as microcarrier material in RWV'S. In this paper, we report some of our recent findings in this regard using experimental and numerical methods. BBG composition 45S5, the most reactive among known bone-bioactive glasses, was chosen for the study. BBG 45S5 behavior in physiological solutions was tested in simulated microgravity and compared with that at normal gravity. On the basis of our numerical study, we have chosen the BBG granule size to be in the range 40-70 microns, and a RWV rotational speed of 10 rpm. Our numerical study has shown that these parameters enable the microcarrier to remain suspended in the medium without experiencing collisions with the wall of the vessel. Immersion-induced changes in the solution composition and the material surface were analyzed after immersion.

Space-time domain solutions of the wave equation by a non-singular boundary integral method and Fourier transform.

PubMed

Klaseboer, Evert; Sepehrirahnama, Shahrokh; Chan, Derek Y C

2017-08-01

The general space-time evolution of the scattering of an incident acoustic plane wave pulse by an arbitrary configuration of targets is treated by employing a recently developed non-singular boundary integral method to solve the Helmholtz equation in the frequency domain from which the space-time solution of the wave equation is obtained using the fast Fourier transform. The non-singular boundary integral solution can enforce the radiation boundary condition at infinity exactly and can account for multiple scattering effects at all spacings between scatterers without adverse effects on the numerical precision. More generally, the absence of singular kernels in the non-singular integral equation confers high numerical stability and precision for smaller numbers of degrees of freedom. The use of fast Fourier transform to obtain the time dependence is not constrained to discrete time steps and is particularly efficient for studying the response to different incident pulses by the same configuration of scatterers. The precision that can be attained using a smaller number of Fourier components is also quantified.

Comparison of statistical approaches dealing with time-dependent confounding in drug effectiveness studies.

PubMed

Karim, Mohammad Ehsanul; Petkau, John; Gustafson, Paul; Platt, Robert W; Tremlett, Helen

2018-06-01

In longitudinal studies, if the time-dependent covariates are affected by the past treatment, time-dependent confounding may be present. For a time-to-event response, marginal structural Cox models are frequently used to deal with such confounding. To avoid some of the problems of fitting marginal structural Cox model, the sequential Cox approach has been suggested as an alternative. Although the estimation mechanisms are different, both approaches claim to estimate the causal effect of treatment by appropriately adjusting for time-dependent confounding. We carry out simulation studies to assess the suitability of the sequential Cox approach for analyzing time-to-event data in the presence of a time-dependent covariate that may or may not be a time-dependent confounder. Results from these simulations revealed that the sequential Cox approach is not as effective as marginal structural Cox model in addressing the time-dependent confounding. The sequential Cox approach was also found to be inadequate in the presence of a time-dependent covariate. We propose a modified version of the sequential Cox approach that correctly estimates the treatment effect in both of the above scenarios. All approaches are applied to investigate the impact of beta-interferon treatment in delaying disability progression in the British Columbia Multiple Sclerosis cohort (1995-2008).

Quantitative 3D evolution of colloidal nanoparticle oxidation in solution

DOE PAGES

Sun, Yugang; Zuo, Xiaobing; Sankaranarayanan, Subramanian K. R. S.; ...

2017-04-21

Real-time tracking three-dimensional (3D) evolution of colloidal nanoparticles in solution is essential for understanding complex mechanisms involved in nanoparticle growth and transformation. We simultaneously use time-resolved small-angle and wide-angle x-ray scattering to monitor oxidation of highly uniform colloidal iron nanoparticles, enabling the reconstruction of intermediate 3D morphologies of the nanoparticles with a spatial resolution of ~5 Å. The in-situ probing combined with large-scale reactive molecular dynamics simulations reveals the transformational details from the solid metal nanoparticles to hollow metal oxide nanoshells via nanoscale Kirkendall process, for example, coalescence of voids upon their growth, reversing of mass diffusion direction depending onmore » crystallinity, and so forth. In conclusion, our results highlight the complex interplay between defect chemistry and defect dynamics in determining nanoparticle transformation and formation.« less

Quantitative 3D evolution of colloidal nanoparticle oxidation in solution

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

Sun, Yugang; Zuo, Xiaobing; Sankaranarayanan, Subramanian K. R. S.

Real-time tracking three-dimensional (3D) evolution of colloidal nanoparticles in solution is essential for understanding complex mechanisms involved in nanoparticle growth and transformation. We simultaneously use time-resolved small-angle and wide-angle x-ray scattering to monitor oxidation of highly uniform colloidal iron nanoparticles, enabling the reconstruction of intermediate 3D morphologies of the nanoparticles with a spatial resolution of ~5 Å. The in-situ probing combined with large-scale reactive molecular dynamics simulations reveals the transformational details from the solid metal nanoparticles to hollow metal oxide nanoshells via nanoscale Kirkendall process, for example, coalescence of voids upon their growth, reversing of mass diffusion direction depending onmore » crystallinity, and so forth. In conclusion, our results highlight the complex interplay between defect chemistry and defect dynamics in determining nanoparticle transformation and formation.« less

Relationship of Chromosome Changes to Neoplastic Cell Transformation

PubMed Central

DiPaolo, Joseph A.; Popescu, Nicolae C.

1976-01-01

Chromosomal abnormalities are a frequent concomitant of neoplasia, and although it is tempting to relate these mutations and alterations in chromatin (DNA) function to cancer, their relationship to the initiation or progression of carcinogenesis is unknown. Mammalian cells in culture, after interacting with chemical carcinogens, often exhibit chromosome damage consisting of breaks and exchanges of chromatid material. The pattern of damage of banded metaphases indicates that negative bands are especially vulnerable to the action of chemical carcinogens, probably because of differential chromatin condensation. Damage to individual chromosomes may be random or nonrandom, depending on the species. Cell death can be correlated with chromatid alterations that occur shortly after treatment with chemical carcinogens. There is also a correlation between mutagenic and carcinogenic activity of some chemical carcinogens and the frequency of sister chromatid exchanges. The question of whether specific chromosome changes are absolutely required for neoplastic transformation cannot be answered because of conflicting data and diverse results from studies even with known carcinogens. Cell transformation may occur without any visible chromosome changes. A universal specific numerical or visible structural chromosomal alteration is not necessarily associated with chemical or viral transformation. Chromosome changes are independent of the etiologic agents: different carcinogens may produce transformation associated with the same abnormal chromosomes, but not all transformed lines invariably exhibit the same abnormality, even with the same chemical. In some species, chromosome having nucleolar organizer regions may be more frequently involved in numerical or structural deviations. Progressively growing tumors also may occur as a result of the proliferation of transformed cells without detectable chromosome changes, indicating that tumorigenicity need not be related to an imbalance of chromosome number or structure. Our studies indicate that chromosome changes are not essential for establishment of neoplasms but that karyotypic instability may result in response to selective growth pressures. ImagesFigure 2Figure 11Figure 3Figure 12Figure 4Figure 5Figure 6Figure 7Figure 8Figure 9Figure 1Figure 10 PMID:826168

Heat Transfer Analysis of Thermal Protection Structures for Hypersonic Vehicles

NASA Astrophysics Data System (ADS)

Zhou, Chen; Wang, Zhijin; Hou, Tianjiao

2017-11-01

This research aims to develop an analytical approach to study the heat transfer problem of thermal protection systems (TPS) for hypersonic vehicles. Laplace transform and integral method are used to describe the temperature distribution through the TPS subject to aerodynamic heating during flight. Time-dependent incident heat flux is also taken into account. Two different cases with heat flux and radiation boundary conditions are studied and discussed. The results are compared with those obtained by finite element analyses and show a good agreement. Although temperature profiles of such problems can be readily accessed via numerical simulations, analytical solutions give a greater insight into the physical essence of the heat transfer problem. Furthermore, with the analytical approach, rapid thermal analyses and even thermal optimization can be achieved during the preliminary TPS design.

μ+SR Study on Layered Chromium Perovskites: Srn+1CrnO3n+1 (n = 1-3)

NASA Astrophysics Data System (ADS)

Nozaki, Hiroshi; Sakurai, Hiroya; Umegaki, Izumi; Ansaldo, Eduardo J.; Morris, Gerald D.; Hitti, Bassam; Arseneau, Donald J.; Andreica, Daniel; Amato, Alex; Månsson, Martin; Sugiyama, Jun

The magnetic nature of layered chromium perovskites, Srn+1CrnO3n+1 (n = 1-3) was studied by μ+SR using powder samples prepared by a high pressure synthesis technique. According to the weak transverse field measurements, each sample entered a magnetically ordered state below 110, 200, and 90 K for the n = 1, 2, and 3 samples, respectively. Zero field (ZF) spectra below the transition temperature exhibited a clear oscillation due to the formation of quasi-static magnetic order. The Fourier transform frequency-spectrum for the ZF time-spectrum indicated the existence of the multiple oscillation components. The frequencies for the multiple oscillatory signals showed a complex temperature dependence, implying the occurrence of structural change/transitions below TN.

Improved analysis of ground vibrations produced by man-made sources.

PubMed

Ainalis, Daniel; Ducarne, Loïc; Kaufmann, Olivier; Tshibangu, Jean-Pierre; Verlinden, Olivier; Kouroussis, Georges

2018-03-01

Man-made sources of ground vibration must be carefully monitored in urban areas in order to ensure that structural damage and discomfort to residents is prevented or minimised. The research presented in this paper provides a comparative evaluation of various methods used to analyse a series of tri-axial ground vibration measurements generated by rail, road, and explosive blasting. The first part of the study is focused on comparing various techniques to estimate the dominant frequency, including time-frequency analysis. The comparative evaluation of the various methods to estimate the dominant frequency revealed that, depending on the method used, there can be significant variation in the estimates obtained. A new and improved analysis approach using the continuous wavelet transform was also presented, using the time-frequency distribution to estimate the localised dominant frequency and peak particle velocity. The technique can be used to accurately identify the level and frequency content of a ground vibration signal as it varies with time, and identify the number of times the threshold limits of damage are exceeded. Copyright © 2017 Elsevier B.V. All rights reserved.

Integrable equations of the infinite nonlinear Schrödinger equation hierarchy with time variable coefficients.

PubMed

Kedziora, D J; Ankiewicz, A; Chowdury, A; Akhmediev, N

2015-10-01

We present an infinite nonlinear Schrödinger equation hierarchy of integrable equations, together with the recurrence relations defining it. To demonstrate integrability, we present the Lax pairs for the whole hierarchy, specify its Darboux transformations and provide several examples of solutions. These resulting wavefunctions are given in exact analytical form. We then show that the Lax pair and Darboux transformation formalisms still apply in this scheme when the coefficients in the hierarchy depend on the propagation variable (e.g., time). This extension thus allows for the construction of complicated solutions within a greatly diversified domain of generalised nonlinear systems.

Structure, phase transitions, and isotope effects in [(CH3)4N]2PuCl6

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

Wilson, Richard E.

2015-11-02

The single crystal X-ray diffraction structure of [(CH3)4N]2PuCl6 is presented for the first time, resolving long standing confusion and speculation regarding the structure of this compound in the literature. A temperature dependent study of this compound shows that the structure of [(CH3)4N]2PuCl6 undergoes no fewer than two phase transitions between 100 and 360 K. The phase of [(CH3)4N]2PuCl6 at room temperature is Fd-3c a = 26.012(3) Å. At 360 K, the structure is in space group Fm-3m with a = 13.088(1) Å. The plutonium octahedra and tetramethylammonium cations undergo a rotative displacement and the degree of rotation varies with temperature,more » giving rise to the phase transition from Fm-3m to Fd-3c as the crystal is cooled. Synthesis and structural studies of the deuterated salt [(CD3)4N]2PuCl6 suggest that there is an isotopic effect associated with this phase transition as revealed by a changing transition temperature in the deuterated versus protonated compound indicating that the donor-acceptor interactions between the tetramethylammonium cations and the hexachloroplutonate anions are driving the phase transformation.« less

Revealing the ISO/IEC 9126-1 Clique Tree for COTS Software Evaluation

NASA Technical Reports Server (NTRS)

Morris, A. Terry

2007-01-01

Previous research has shown that acyclic dependency models, if they exist, can be extracted from software quality standards and that these models can be used to assess software safety and product quality. In the case of commercial off-the-shelf (COTS) software, the extracted dependency model can be used in a probabilistic Bayesian network context for COTS software evaluation. Furthermore, while experts typically employ Bayesian networks to encode domain knowledge, secondary structures (clique trees) from Bayesian network graphs can be used to determine the probabilistic distribution of any software variable (attribute) using any clique that contains that variable. Secondary structures, therefore, provide insight into the fundamental nature of graphical networks. This paper will apply secondary structure calculations to reveal the clique tree of the acyclic dependency model extracted from the ISO/IEC 9126-1 software quality standard. Suggestions will be provided to describe how the clique tree may be exploited to aid efficient transformation of an evaluation model.

Role of four-membered rings in C32 fullerene stability and mechanisms of generalized Stone-Wales transformation: a density functional theory investigation.

PubMed

Wang, Weiwei; Dang, Jingshuang; Zhao, Xiang

2011-08-28

Density functional theory (DFT) methods have been applied to study C(32) fullerenes built from four-, five-, and six-membered rings. The relative energies of pure C(32) fullerenes have been evaluated to locate three most stable structures, 32:D(4d) with two squares, 1:D(3) without square and 5:C(s) with one square. Structural analysis reveals that there is a rearrangement pathway between the lowest energy classical isomer 1:D(3) and the lowest energy non-classical isomer 32:D(4d), and 5:C(s) behaves just as an intermediate between them. The kinetic processes of generalized Stone-Wales transformation (GSWT) with four-membered rings have been explored and two distinct reaction mechanisms are determined by all the transition states and intrinsic reaction coordinates with PBE1PBE/6-31G(d) approach for the first time. One mechanism is the concerted reaction with a rotating dimer closed to the cage surface and another is the stepwise reaction with a carbene-like sp(3) structure, whereas the latter is sorted into two paths based on four-membered ring vanishing before or after the formation of the carbene-like structure. It is indicated that there is no absolute preference for any mechanism, which depends on the adaptability of different reactants on the diverse mechanisms. Furthermore, it's found that the interconversion process with the participation of squares is more reactive than the rearrangement between C(60)_I(h) and C(60)_C(2v), implying some potential importance of non-classical small fullerenes in the fullerene isomerization.

System reliability of randomly vibrating structures: Computational modeling and laboratory testing

NASA Astrophysics Data System (ADS)

Sundar, V. S.; Ammanagi, S.; Manohar, C. S.

2015-09-01

The problem of determination of system reliability of randomly vibrating structures arises in many application areas of engineering. We discuss in this paper approaches based on Monte Carlo simulations and laboratory testing to tackle problems of time variant system reliability estimation. The strategy we adopt is based on the application of Girsanov's transformation to the governing stochastic differential equations which enables estimation of probability of failure with significantly reduced number of samples than what is needed in a direct simulation study. Notably, we show that the ideas from Girsanov's transformation based Monte Carlo simulations can be extended to conduct laboratory testing to assess system reliability of engineering structures with reduced number of samples and hence with reduced testing times. Illustrative examples include computational studies on a 10-degree of freedom nonlinear system model and laboratory/computational investigations on road load response of an automotive system tested on a four-post test rig.

Analysis of structural transformation in wool fiber resulting from oxygen plasma treatment using vibrational spectroscopy

NASA Astrophysics Data System (ADS)

Barani, Hossein; Haji, Aminoddin

2015-01-01

The aim of this study was to investigate the influence of oxygen plasma procedure at different time treatments on wool fiber using the micro-Raman spectroscopy as a non-destructive vibrational spectroscopic technique and Fourier transform infrared spectroscopy. The amide I and III regions, Csbnd C skeletal vibration region, and Ssbnd S and Csbnd S bonds vibration regions were analyzed with the Raman microscope. The Fourier transform infrared spectroscope analysis was employed to find out the effect of oxygen plasma treatment on the cysteic acid residues content of the wool fiber sample. The results indicated that the α-helix structure was the highest component content of wool fiber. Moreover, the protein secondary structure of wool fibers was transformed from α-helical arrangement to the β-pleated sheet configuration during the oxygen plasma treatment. Also, the disulphide bonds content in the treated wool fiber reduced because they were fractured and oxidized during oxygen plasma treatment. The oxygen plasma treated samples presented higher cysteic acid compared to the untreated wool samples due to produce more cleavage of disulfide linkages.

IDP camp evolvement analysis in Darfur using VHSR optical satellite image time series and scientific visualization on virtual globes

NASA Astrophysics Data System (ADS)

Tiede, Dirk; Lang, Stefan

2010-11-01

In this paper we focus on the application of transferable, object-based image analysis algorithms for dwelling extraction in a camp for internally displaced people (IDP) in Darfur, Sudan along with innovative means for scientific visualisation of the results. Three very high spatial resolution satellite images (QuickBird: 2002, 2004, 2008) were used for: (1) extracting different types of dwellings and (2) calculating and visualizing added-value products such as dwelling density and camp structure. The results were visualized on virtual globes (Google Earth and ArcGIS Explorer) revealing the analysis results (analytical 3D views,) transformed into the third dimension (z-value). Data formats depend on virtual globe software including KML/KMZ (keyhole mark-up language) and ESRI 3D shapefiles streamed as ArcGIS Server-based globe service. In addition, means for improving overall performance of automated dwelling structures using grid computing techniques are discussed using examples from a similar study.

High-frequency Born synthetic seismograms based on coupled normal modes

USGS Publications Warehouse

Pollitz, F.

2011-01-01

High-frequency and full waveform synthetic seismograms on a 3-D laterally heterogeneous earth model are simulated using the theory of coupled normal modes. The set of coupled integral equations that describe the 3-D response are simplified into a set of uncoupled integral equations by using the Born approximation to calculate scattered wavefields and the pure-path approximation to modulate the phase of incident and scattered wavefields. This depends upon a decomposition of the aspherical structure into smooth and rough components. The uncoupled integral equations are discretized and solved in the frequency domain, and time domain results are obtained by inverse Fourier transform. Examples show the utility of the normal mode approach to synthesize the seismic wavefields resulting from interaction with a combination of rough and smooth structural heterogeneities. This approach is applied to an ~4 Hz shallow crustal wave propagation around the site of the San Andreas Fault Observatory at Depth (SAFOD). ?? The Author Geophysical Journal International ?? 2011 RAS.

Zinc nitride thin films: basic properties and applications

NASA Astrophysics Data System (ADS)

Redondo-Cubero, A.; Gómez-Castaño, M.; García Núñez, C.; Domínguez, M.; Vázquez, L.; Pau, J. L.

2017-02-01

Zinc nitride films can be deposited by radio frequency magnetron sputtering using a Zn target at substrate temperatures lower than 250°C. This low deposition temperature makes the material compatible with flexible substrates. The asgrown layers present a black color, polycrystalline structures, large conductivities, and large visible light absorption. Different studies have reported about the severe oxidation of the layers in ambient conditions. Different compositional, structural and optical characterization techniques have shown that the films turn into ZnO polycrystalline layers, showing visible transparency and semi-insulating properties after total transformation. The oxidation rate is fairly constant as a function of time and depends on environmental parameters such as relative humidity or temperature. Taking advantage of those properties, potential applications of zinc nitride films in environmental sensing have been studied in the recent years. This work reviews the state-of-the-art of the zinc nitride technology and the development of several devices such as humidity indicators, thin film (photo)transistors and sweat monitoring sensors.

Action of trypsin on structural changes of collagen fibres from sea cucumber (Stichopus japonicus).

PubMed

Liu, Zi-Qiang; Tuo, Feng-Yan; Song, Liang; Liu, Yu-Xin; Dong, Xiu-Ping; Li, Dong-Mei; Zhou, Da-Yong; Shahidi, Fereidoon

2018-08-01

Trypsin, a representative serine proteinase, was used to hydrolyse the collagen fibres from sea cucumber (Stichopus japonicus) to highlight the role of serine proteinase in the autolysis of sea cucumber. Partial disaggregation of collagen fibres into collagen fibrils upon trypsin treatment occurred. The trypsin treatment also caused a time-dependent release of water-soluble glycosaminoglycans and proteins. Therefore, the degradation of the proteoglycan bridges between collagen fibrils might account for the disaggregation of collagen fibrils. For trypsin-treated collagen fibres (72 h), the collagen fibrils still kept their structural integrity and showed characteristic D-banding pattern, and the dissolution rate of hydroxyproline was just 0.21%. Meanwhile, Fourier transform infrared analysis showed the collagen within trypsin-treated collagen fibres (72 h) still retaining their triple-helical conformation. These results suggested that serine proteinase participated in the autolysis of S. japonicus body wall by damaging the proteoglycan bridges between collagen fibrils and disintegrating the latter. Copyright © 2018 Elsevier Ltd. All rights reserved.

Fault interaction and stresses along broad oceanic transform zone: Tjörnes Fracture Zone, north Iceland

NASA Astrophysics Data System (ADS)

Homberg, C.; Bergerat, F.; Angelier, J.; Garcia, S.

2010-02-01

Transform motion along oceanic transforms generally occurs along narrow faults zones. Another class of oceanic transforms exists where the plate boundary is quite large (˜100 km) and includes several subparallel faults. Using a 2-D numerical modeling, we simulate the slip distribution and the crustal stress field geometry within such broad oceanic transforms (BOTs). We examine the possible configurations and evolution of such BOTs, where the plate boundary includes one, two, or three faults. Our experiments show that at any time during the development of the plate boundary, the plate motion is not distributed along each of the plate boundary faults but mainly occurs along a single master fault. The finite width of a BOT results from slip transfer through time with locking of early faults, not from a permanent distribution of deformation over a wide area. Because of fault interaction, the stress field geometry within the BOTs is more complex than that along classical oceanic transforms and includes stress deflections close to but also away from the major faults. Application of this modeling to the 100 km wide Tjörnes Fracture Zone (TFZ) in North Iceland, a major BOT of the Mid-Atlantic Ridge that includes three main faults, suggests that the Dalvik Fault and the Husavik-Flatey Fault developed first, the Grismsey Fault being the latest active structure. Since initiation of the TFZ, the Husavik-Flatey Fault accommodated most of the plate motion and probably persists until now as the main plate structure.

Representation of Serendipitous Scientific Data

NASA Technical Reports Server (NTRS)

James, Mark

2006-01-01

A computer program defines and implements an innovative kind of data structure than can be used for representing information derived from serendipitous discoveries made via collection of scientific data on long exploratory spacecraft missions. Data structures capable of collecting any kind of data can easily be implemented in advance, but the task of designing a fixed and efficient data structure suitable for processing raw data into useful information and taking advantage of serendipitous scientific discovery is becoming increasingly difficult as missions go deeper into space. The present software eases the task by enabling definition of arbitrarily complex data structures that can adapt at run time as raw data are transformed into other types of information. This software runs on a variety of computers, and can be distributed in either source code or binary code form. It must be run in conjunction with any one of a number of Lisp compilers that are available commercially or as shareware. It has no specific memory requirements and depends upon the other software with which it is used. This program is implemented as a library that is called by, and becomes folded into, the other software with which it is used.

Polarized photoluminescence of nc-Si–SiO{sub x} nanostructures

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

Michailovska, E. V.; Indutnyi, I. Z.; Shepeliavyi, P. E.

2016-01-15

The effect of photoluminescence polarization memory in nc-Si–SiO{sub x} light-emitting structures containing Si nanoparticles (nc-Si) in an oxide matrix is for the first time studied. The polarization properties of continuous and porous nanostructures passivated in HF vapors (or solutions) are studied. It is established that the polarization memory effect is manifested only after treatment of the structures in HF. The effect is also accompanied by a shift of the photoluminescence peak to shorter wavelengths and by a substantial increase in the photoluminescence intensity. It is found that, in anisotropic nc-Si–SiO{sub x} samples produced by oblique deposition in vacuum, the degreemore » of linear photoluminescence polarization in the sample plane exhibits a noticeable orientation dependence and correlates with the orientation of SiO{sub x} nanocolumns forming the structure of the porous layer. These effects are attributed to the transformation of symmetrically shaped Si nanoparticles into asymmetric elongated nc-Si particles upon etching in HF. In continuous layers, nc-Si particles are oriented randomly, whereas in porous structures, their preferential orientation coincides with the orientation of oxide nanocolumns.« less

Variable Viscosity Effects on Time Dependent Magnetic Nanofluid Flow past a Stretchable Rotating Plate

NASA Astrophysics Data System (ADS)

Ram, Paras; Joshi, Vimal Kumar; Sharma, Kushal; Walia, Mittu; Yadav, Nisha

2016-01-01

An attempt has been made to describe the effects of geothermal viscosity with viscous dissipation on the three dimensional time dependent boundary layer flow of magnetic nanofluids due to a stretchable rotating plate in the presence of a porous medium. The modelled governing time dependent equations are transformed a from boundary value problem to an initial value problem, and thereafter solved by a fourth order Runge-Kutta method in MATLAB with a shooting technique for the initial guess. The influences of mixed temperature, depth dependent viscosity, and the rotation strength parameter on the flow field and temperature field generated on the plate surface are investigated. The derived results show direct impact in the problems of heat transfer in high speed computer disks (Herrero et al. [1]) and turbine rotor systems (Owen and Rogers [2]).

Strain Recovery by TiNi Element Under Fast Heating

NASA Astrophysics Data System (ADS)

Volkov, Aleksandr E.; Miszuris, Wiktoria; Volkova, Natalia A.

2018-03-01

A theoretical and experimental study of strain recovery under fast heating of a shape memory alloy (SMA) rod preliminarily stretched in the martensitic state is carried out. Two theoretical models are considered: instantaneous heating and heating with temperature variation during a finite time. In the first case, it is supposed that the straight SMA rod experiences an instantaneous reverse martensitic transformation, and in the second the transformation is supposed to progress at a rate corresponding to the temperature rate. Analytical expression for the time dependence of the rod free-end displacement is obtained. In the experiment, a wire specimen made of titanium-nickel SMA was heated by a short impulse of electric current. The variation of the specimen length in time was registered. Thus, it has been shown that the minimum operation time of an SMA actuator (time needed for the strain recovery) can be reduced to 20 µs. Comparison of the theoretical results with the experimental ones leads to the conclusion that the displacement variation in time is controlled by the rate of heating and the inertia of the specimen. The incubation time of the martensitic transformation on the microscale apparently is estimated as less than 1 µs.

Strain Recovery by TiNi Element Under Fast Heating

NASA Astrophysics Data System (ADS)

Volkov, Aleksandr E.; Miszuris, Wiktoria; Volkova, Natalia A.

2018-01-01

A theoretical and experimental study of strain recovery under fast heating of a shape memory alloy (SMA) rod preliminarily stretched in the martensitic state is carried out. Two theoretical models are considered: instantaneous heating and heating with temperature variation during a finite time. In the first case, it is supposed that the straight SMA rod experiences an instantaneous reverse martensitic transformation, and in the second the transformation is supposed to progress at a rate corresponding to the temperature rate. Analytical expression for the time dependence of the rod free-end displacement is obtained. In the experiment, a wire specimen made of titanium-nickel SMA was heated by a short impulse of electric current. The variation of the specimen length in time was registered. Thus, it has been shown that the minimum operation time of an SMA actuator (time needed for the strain recovery) can be reduced to 20 µs. Comparison of the theoretical results with the experimental ones leads to the conclusion that the displacement variation in time is controlled by the rate of heating and the inertia of the specimen. The incubation time of the martensitic transformation on the microscale apparently is estimated as less than 1 µs.

A study of the kinematic dynamo equation with time-dependent coefficients

NASA Technical Reports Server (NTRS)

Ko, Chung-Ming

1990-01-01

During an active star formation epoch the interstellar medium of a galaxy is in a hyperactive state, and the average turbulent velocity is higher than in the long periods between star formation epochs. The galactic magnetic field generated by dynamo action depends strongly on the turbulent velocity, so that generation of magnetic field should vary with star formation activity. This paper is a preliminary study of the kinematic dynamo equation with time-dependent coefficients simulating the time dependence of the star formation activities. Ko and Parker argued in a simple model that the thickness of the dynamo region is the most sensitive dynamo parameter. The present work shows that the effect of inflating the galactic disk suddenly is to transform a stationary magnetic field into a growing field while keeping the profile more or less intact. Plane wave solutions for a dynamo with power-law time-dependent parameters show that the field may decay first and then grow, and vice versa, which is quite different from a constant parameter dynamo.

Distance-Dependent Multimodal Image Registration for Agriculture Tasks

PubMed Central

Berenstein, Ron; Hočevar, Marko; Godeša, Tone; Edan, Yael; Ben-Shahar, Ohad

2015-01-01

Image registration is the process of aligning two or more images of the same scene taken at different times; from different viewpoints; and/or by different sensors. This research focuses on developing a practical method for automatic image registration for agricultural systems that use multimodal sensory systems and operate in natural environments. While not limited to any particular modalities; here we focus on systems with visual and thermal sensory inputs. Our approach is based on pre-calibrating a distance-dependent transformation matrix (DDTM) between the sensors; and representing it in a compact way by regressing the distance-dependent coefficients as distance-dependent functions. The DDTM is measured by calculating a projective transformation matrix for varying distances between the sensors and possible targets. To do so we designed a unique experimental setup including unique Artificial Control Points (ACPs) and their detection algorithms for the two sensors. We demonstrate the utility of our approach using different experiments and evaluation criteria. PMID:26308000

Impact of Track Structure Effects on Shielding and Dosimetry

NASA Technical Reports Server (NTRS)

Wilson, J. W.; Cucinotta, F. A.; Schimmerling, W.; Kim, M. Y.

1999-01-01

Galactic cosmic rays (GCR) consisting of nuclei of all the known elements with kinetic energies extending from tens to millions of MeV pose a significant health hazard to future deep space operations. Even half of the radiation exposures expected in ISS will result from GCR components. The biological actions of these radiations are known to depend on the details of the energy deposition (not just linear energy transfer, LET, but the lateral dispersion of energy deposition about the particle track). Energy deposits in tissues are dominated by the transfer of tens to hundreds of eV to the tissue's atomic electrons. In the case of low LET radiations, the collisions are separated by large dimensions compared to the size of important biomolecular structures. If such events are also separated in time, then the radiation adds little to the background of radicals occurring from ordinary metabolic processes and causes little or no biological injury. Hence, dose rate is a strong determinant of the action of low LET exposures. The GCR exposures are dominated by ions of high charge and energy (HZE) characterized by many collisions with atomic electrons over biomolecular dimensions, resulting in high radical- density events associated with a few isolated ion paths through the cell and minimal dose rate dependence at ordinary exposure levels. The HZE energy deposit declines quickly laterally and merges with the background radical density in the track periphery for which the exact lateral distribution of the energy deposit is the determinant of the biological injury. Although little data exists on human exposures from HZE radiations, limited studies in mice and mammalian cell cultures allow evaluation of the effects of track structure on shield attenuation properties and evaluation of implications for dosimetry. The most complete mammalian cell HZE exposure data sets have been modeled including the C3H10T1/2 survival and transformation data of Yang et al., the V79 survival and mutation data of various groups, and the Harderian gland tumor data of Alpen et al. Model results for the Harderian gland tumor data in comparison with data from Alpen et al. The Harderian target cell initiation cross section compares closely with the transformation cross section found for the C3H10T1/2 cell transformation data of Yang et al. The most notable feature of the cross sections are the multivalued cross sections for a given LET which implies the corresponding relative biological effectiveness (RBE) is dependent not only on the LET but also the ion type. This fact is at variance with the latest ICRP recommended quality factor which is a defined function of only the LET.

Shoulder pain and time dependent structure in wheelchair propulsion variability

PubMed Central

Jayaraman, Chandrasekaran; Moon, Yaejin; Sosnoff, Jacob J.

2016-01-01

Manual wheelchair propulsion places considerable repetitive mechanical strain on the upper limbs leading to shoulder injury and pain. While recent research indicates that the amount of variability in wheelchair propulsion and shoulder pain may be related. There has been minimal inquiry into the fluctuation over time (i.e. time-dependent structure) in wheelchair propulsion variability. Consequently the purpose of this investigation was to examine if the time-dependent structure in the wheelchair propulsion parameters are related to shoulder pain. 27 experienced wheelchair users manually propelled their own wheelchair fitted with a SMARTWheel on a roller at 1.1 m/s for 3 minutes. Time-dependent structure of cycle-to-cycle fluctuations in contact angle and inter push time interval was quantified using sample entropy (SampEn) and compared between the groups with/without shoulder pain using non-parametric statistics. Overall findings were, (1) variability observed in contact angle fluctuations during manual wheelchair propulsion is structured (Z=3.15;p<0.05), (2) individuals with shoulder pain exhibited higher SampEn magnitude for contact angle during wheelchair propulsion than those without pain (χ2(1)=6.12;p<0.05); and (3) SampEn of contact angle correlated significantly with self-reported shoulder pain (rs (WUSPI) =0.41;rs (VAS)=0.56;p<0.05). It was concluded that the time-dependent structure in wheelchair propulsion may provide novel information for tracking and monitoring shoulder pain. PMID:27134151

Forces on nuclei moving on autoionizing molecular potential energy surfaces.

PubMed

Moiseyev, Nimrod

2017-01-14

Autoionization of molecular systems occurs in diatomic molecules and in small biochemical systems. Quantum chemistry packages enable calculation of complex potential energy surfaces (CPESs). The imaginary part of the CPES is associated with the autoionization decay rate, which is a function of the molecular structure. Molecular dynamics simulations, within the framework of the Born-Oppenheimer approximation, require the definition of a force field. The ability to calculate the forces on the nuclei in bio-systems when autoionization takes place seems to rely on an understanding of radiative damages in RNA and DNA arising from the release of slow moving electrons which have long de Broglie wavelengths. This work addresses calculation of the real forces on the nuclei moving on the CPES. By using the transformation of the time-dependent Schrödinger equation, previously used by Madelung, we proved that the classical forces on nuclei moving on the CPES correlated with the gradient of the real part of the CPES. It was proved that the force on the nuclei of the metastable molecules is time independent although the probability to detect metastable molecules exponentially decays. The classical force is obtained from the transformed Schrödinger equation when ℏ=0 and the Schrödinger equation is reduced to the classical (Newtonian) equations of motion. The forces on the nuclei regardless on what potential energy surface they move (parent CPES or product real PESs) vary in time due to the autoionization process.