Effects of sintering atmosphere and temperature on structural and magnetic properties of Ni-Cu-Zn ferrite nano-particles: Magnetic enhancement by a reducing atmosphere

NASA Astrophysics Data System (ADS)

Gholizadeh, Ahmad; Jafari, Elahe

2017-01-01

In this work, effects of sintering atmosphere and temperature on structural and magnetic properties of Ni0.3Cu0.2Zn0.5Fe2O4 nanoparticles prepared by citrate precursor method have been studied. The structural characterization of the samples by X-ray powder diffraction and FT-IR spectroscopy is evidence for formation of a cubic structure with no presence of impurity phase. Calculated values of crystallite size and unit cell parameter show an increase with sintering temperature under different atmospheres. Variation of saturation magnetization with sintering temperature and atmosphere can be attributed to change of three factors: magnetic core size, inversion parameter and the change of Fe3+-ion concentration due to the presence of Fe4+ and Fe2+ ions. The saturation magnetization gradually grows with sintering temperature due to increase of magnetic core size and a maximum 63 emu/g was achieved at 600 °C under carbon monoxide-ambient atmosphere.

Incorporation of nonlinear thermorheological complexity into the phenomenologies of structural relaxation.

PubMed

Hodge, Ian M

2005-09-22

A distribution of activation energies is introduced into the nonlinear Adam-Gibbs ("Hodge-Scherer") phenomenology for structural relaxation. The resulting dependencies of the stretched exponential beta parameter on thermodynamic temperature and fictive temperature (nonlinear thermorheological complexity) are derived. No additional adjustable parameters are introduced, and contact is made with the predictions of the random first-order transition theory of aging of Lubchenko and Wolynes [J. Chem. Physics121, 2852 (2004)].

Stimulation of processes of self-propagating high temperature synthesis in system Ti + Al at low temperatures by influence of γ-quanta

NASA Astrophysics Data System (ADS)

Sobachkin, A. V.; Loginova, M. V.; Sitnikov, A. A.; Yakovlev, V. I.; Filimonov, V. Yu; Gradoboev, A. V.

2018-03-01

In the present work, the influence of the irradiation with gamma-quanta 60Co upon the structural and phase state of the components of the mechanically activated powder composition of Ti+Al is investigated. The phase composition, structural parameters, and crystallinity are examined by means of X-ray diffractometry. It is found out that the irradiation with gamma-quanta changes the structure of the mechanically activated powder composition. The higher irradiation dose, the higher the structure crystallinity of both components with no change in phase state. At the same time, the parameters of Ti and Al crystal lattices approach to the initial parameters observed before the mechanical activation. The irradiation with gammaquanta leads to decrease of internal stresses in the mechanically activated powder composition while nanocrystallinity of the structure remains unchanged. Using of powder compositions exposed to the irradiation with gamma-quanta for the SH-synthesis helps to increase speed of the reaction, decrease the peak firing temperature and improve homogeneity, as well as the main phase of the produced material is TiAl.

Temperature and pressure dependent thermodynamic behavior of 2H-CuInO2

NASA Astrophysics Data System (ADS)

Bhamu, K. C.

2018-05-01

Density functional theory and quasi-harmonic Debye model has been used to study the thermodynamic properties of 2H-CuInO2. At the optimized structural parameters, pressure (0 to 80 GPa) dependent variation in the various thermodynamic properties, i.e. unit cell volume (V), bulk modulus (B), specific heat (Cv), Debye temperature (θD), Grüneisen parameter (γ) and thermal expansion coefficient (α) are calculated for various temperature values. The results predict that the pressure has significant effect on unit cell volume and bulk modulus while the temperature shows negligible effect on both parameters. With increasing temperature thermal expansion coefficient increase while with increasing pressure it decreases. The specific heat remains close to zero for ambient pressure and temperature values and it increases with increasing temperature. It is observed that the pressure has high impact on Debye temperature and Grüneisen parameter instead of temperature. Debye temperature and Grüneisen parameter both remains almost constant for the temperature range (0-300K) while Grüneisen parameter decrease with increasing pressure at constant temperature and Debye temperature increases rapidly with increasing pressure. An increase in Debye temperature with respect to pressure shows that the thermal vibration frequency changes rapidly.

Predictive control of thermal state of blast furnace

NASA Astrophysics Data System (ADS)

Barbasova, T. A.; Filimonova, A. A.

2018-05-01

The work describes the structure of the model for predictive control of the thermal state of a blast furnace. The proposed model contains the following input parameters: coke rate; theoretical combustion temperature, comprising: natural gas consumption, blasting temperature, humidity, oxygen, blast furnace cooling water; blast furnace gas utilization rate. The output parameter is the cast iron temperature. The results for determining the cast iron temperature were obtained following the identification using the Hammerstein-Wiener model. The result of solving the cast iron temperature stabilization problem was provided for the calculated values of process parameters of the target area of the respective blast furnace operation mode.

Temperature-Dependent Second Shell Interference in the First Shell Analysis of Crystalline InP X-ray Absorption Spectroscopy Data

NASA Astrophysics Data System (ADS)

Schnohr, Claudia S.; Araujo, Leandro L.; Ridgway, Mark C.

2014-09-01

Analysing only the first nearest neighbour (NN) scattering signal is a commonly used and often successful way to treat extended X-ray absorption fine structure data. However, using temperature-dependent measurements of InP as an example, we demonstrate how this approach can lead to erroneous first NN structural parameters in systems with a weak first but strong second NN scatterer. In such cases, particularly low temperature data may suffer from an overlap of first and second NN scattering signals caused by the Fourier transformation (FT) even if the dominant peaks appear to be well separated. The first NN structural parameters then vary as a function of the FT settings if only the first NN scattering contribution is considered in the analysis. Although this variation is small, it can also lead to significant differences in other calculated properties such as the Einstein temperature. We demonstrate that these variations can be avoided either by choosing an appropriate FT window or by including the scattering contributions of higher shells in the analysis. The latter is achieved by a path fitting approach and yields structural parameters independent of the FT settings used.

Measurements of the Temperature Structure-Function Parameters with a Small Unmanned Aerial System Compared with a Sodar

NASA Astrophysics Data System (ADS)

Bonin, Timothy A.; Goines, David C.; Scott, Aaron K.; Wainwright, Charlotte E.; Gibbs, Jeremy A.; Chilson, Phillip B.

2015-06-01

The structure function is often used to quantify the intensity of spatial inhomogeneities within turbulent flows. Here, the Small Multifunction Research and Teaching Sonde (SMARTSonde), an unmanned aerial system, is used to measure horizontal variations in temperature and to calculate the structure function of temperature at various heights for a range of separation distances. A method for correcting for the advection of turbulence in the calculation of the structure function is discussed. This advection correction improves the data quality, particularly when wind speeds are high. The temperature structure-function parameter can be calculated from the structure function of temperature. Two case studies from which the SMARTSonde was able to take measurements used to derive at several heights during multiple consecutive flights are discussed and compared with sodar measurements, from which is directly related to return power. Profiles of from both the sodar and SMARTSonde from an afternoon case exhibited generally good agreement. However, the profiles agreed poorly for a morning case. The discrepancies are partially attributed to different averaging times for the two instruments in a rapidly evolving environment, and the measurement errors associated with the SMARTSonde sampling within the stable boundary layer.

Coulomb structures of charged macroparticles in static magnetic traps at cryogenic temperatures

NASA Astrophysics Data System (ADS)

Vasiliev, M. M.; Petrov, O. F.; Statsenko, K. B.

2015-12-01

Electrically charged (up to 107 e) macroscopic superconducting particles with sizes in the micrometer range confined in a static magnetic trap in liquid nitrogen and in nitrogen vapor at temperatures of 77-91 K are observed experimentally. The macroparticles with sizes up to 60 μm levitate in a nonuniform static magnetic field B ~ 2500 G. The formation of strongly correlated structures comprising as many as ~103 particles is reported. The average particle distance in these structures amounts to 475 μm. The coupling parameter and the Lindemann parameter of these structures are estimated to be ~107 and ~0.03, respectively, which is characteristic of strongly correlated crystalline or glasslike structures.

AB INITIO Molecular Dynamics Simulations on Local Structure and Electronic Properties in Liquid Sb from 913 K to 1193 K

NASA Astrophysics Data System (ADS)

Hao, Qing-Hai; Li, Y. D.; Kong, Xiang-Shan; Liu, C. S.

2013-02-01

Ab initio molecular dynamics simulations on liquid Sb have been carried out at five different temperatures from 913 K to 1193 K. We have investigated the temperature dependence of structure properties including structural factor S(Q), pair correlation function g(r), bond-angle distribution function g3(θ), cluster properties and bond order parameter Q4 and Q6. A shoulder was reproduced in the high wave number side of the first peak in the S(Q) implying that the residual structure units of crystalline Sb remain in liquid Sb. There is a noticeable bend at around 1023 K in the temperature dependence of the first-peak height of S(Q), the cluster properties and bond order parameter Q4, respectively, indicating that an abnormal structural change may occur at 973-1023 K.

EPR investigation of local structure for [Mn(H 2O) 6] 2+ cluster in [M(H 2O) 6]XCl 6:Mn 2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems at different temperatures

NASA Astrophysics Data System (ADS)

Tian, Wen-Yan; Kuang, Xiao-Yu; Li, Hui-Fang; Li, Yan-Fang; Ying-Li

2009-01-01

A theoretical method for studying the inter-relation between the local structure and EPR spectra is established by diagonalizing the complete energy matrices. For [M(H 2O) 6]XCl 6:Mn 2+ (M = Zn, Mg, Cd, Ca; X = Pt, Sn) systems, the calculated results demonstrate that the local structures around the octahedral Mn 2+ centers in the doped systems are very similar despite of the host crystals being different. Furthermore, it is shown that the EPR zero-field parameter D depends simultaneously on the local structure parameters R and θ while ( a - F) depends mainly on R, whether the doped systems are at liquid-nitrogen temperature or room temperature.

The influence of porosity and structural parameters on different kinds of gas hydrate dissociation

PubMed Central

Misyura, S. Y.

2016-01-01

Methane hydrate dissociation at negative temperatures was studied experimentally for different artificial and natural samples, differing by macro- and micro-structural parameters. Four characteristic dissociation types are discussed in the paper. The internal kinetics of artificial granule gas hydrates and clathrate hydrates in coal is dependent on the porosity, defectiveness and gas filtration rate. The density of pores distribution in the crust of formed ice decreases by the several orders of magnitude and this change significantly the rate of decay. Existing models for describing dissociation at negative temperatures do not take into account the structural parameters of samples. The dissociation is regulated by internal physical processes that must be considered in the simulation. Non-isothermal dissociation with constant external heat flux was simulated numerically. The dissociation is simulated with consideration of heat and mass transfer, kinetics of phase transformation and gas filtering through a porous medium of granules for the negative temperatures. It is shown that the gas hydrate dissociation in the presence of mainly microporous structures is fundamentally different from the disintegration of gas hydrates containing meso and macropores. PMID:27445113

Two-diode behavior in metal-ferroelectric-semiconductor structures with bismuth titanate interfacial layer

NASA Astrophysics Data System (ADS)

Durmuş, Perihan; Altindal, Şemsettin

2017-10-01

In this study, electrical parameters of the Al/Bi4Ti3O12/p-Si metal-ferroelectric-semiconductor (MFS) structure and their temperature dependence were investigated using current-voltage (I-V) data measured between 120 K and 300 K. Semi-logarithmic I-V plots of the structure revealed that fabricated structure presents two-diode behavior that leads to two sets of ideality factor, reverse saturation current and zero-bias barrier height (BH) values. Obtained results of these parameters suggest that current conduction mechanism (CCM) deviates strongly from thermionic emission theory particularly at low temperatures. High values of interface states and nkT/q-kT/q plot supported the idea of deviation from thermionic emission. In addition, ln(I)-ln(V) plots suggested that CCM varies from one bias region to another and depends on temperature as well. Series resistance values were calculated using Ohm’s law and Cheungs’ functions, and they decreased drastically with increasing temperature.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism.

PubMed

Liu, Donghuan; Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model.

Numerical simulation of high-temperature thermal contact resistance and its reduction mechanism

PubMed Central

Zhang, Jing

2018-01-01

High-temperature thermal contact resistance (TCR) plays an important role in heat-pipe-cooled thermal protection structures due to the existence of contact interface between the embedded heat pipe and the heat resistive structure, and the reduction mechanism of thermal contact resistance is of special interests in the design of such structures. The present paper proposed a finite element model of the high-temperature thermal contact resistance based on the multi-point contact model with the consideration of temperature-dependent material properties, heat radiation through the cavities at the interface and the effect of thermal interface material (TIM), and the geometry parameters of the finite element model are determined by simple surface roughness test and experimental data fitting. The experimental results of high-temperature thermal contact resistance between superalloy GH600 and C/C composite material are employed to validate the present finite element model. The effect of the crucial parameters on the thermal contact resistance with and without TIM are also investigated with the proposed finite element model. PMID:29547651

Crystal structure and phase transition of thermoelectric SnSe.

PubMed

Sist, Mattia; Zhang, Jiawei; Brummerstedt Iversen, Bo

2016-06-01

Tin selenide-based functional materials are extensively studied in the field of optoelectronic, photovoltaic and thermoelectric devices. Specifically, SnSe has been reported to have an ultrahigh thermoelectric figure of merit of 2.6 ± 0.3 in the high-temperature phase. Here we report the evolution of lattice constants, fractional coordinates, site occupancy factors and atomic displacement factors with temperature by means of high-resolution synchrotron powder X-ray diffraction measured from 100 to 855 K. The structure is shown to be cation defective with a Sn content of 0.982 (4). The anisotropy of the thermal parameters of Sn becomes more pronounced approaching the high-temperature phase transition (∼ 810 K). Anharmonic Gram-Charlier parameters have been refined, but data from single-crystal diffraction appear to be needed to firmly quantify anharmonic features. Based on modelling of the atomic displacement parameters the Debye temperature is found to be 175 (4) K. Conflicting reports concerning the different coordinate system settings in the low-temperature and high-temperature phases are discussed. It is also shown that the high-temperature Cmcm phase is not pseudo-tetragonal as commonly assumed.

Study of parameter of nonlinearity in 2-chloroethanol with 2-dimethylethanolamine/2-diethylethanolamine at different temperatures

NASA Astrophysics Data System (ADS)

Awasthi, Anjali; Awasthi, Aashees

2017-06-01

The acoustic non-linearity parameter (B/A) for binary mixtures of 2-chloroethanol with 2-dimethylethanolamine (2-DMAE) and 2-diethylethanolamine (2-DEAE) are evaluated using Tong Dong, Beyer and Beyer-Tong Dong coefficients at varying concentrations and temperatures ranging from 293.15 to 313.15 K. The nonlinearity parameter is used to calculate various molecular properties such as internal pressure, cohesive energy density, Van der waals' constant, distance of closest approach, diffusion coefficient and rotational correlation time. Additionally, the intermediate quantities like temperature and pressure derivatives of sound velocity and phase shift parameter as a function of temperature are also deduced. The extent of intermolecular interactions, anharmonicity and structural configuration of the binaries under investigation are discussed in terms of excess non-linearity parameter (B/A)E.

Thermal and structural alternations in CuAlMnNi shape memory alloy by the effect of different pressure applications

NASA Astrophysics Data System (ADS)

Canbay, Canan Aksu; Polat, Tercan

2017-09-01

In this work the effects of the applied pressure on the characteristic transformation temperatures, the high temperature order-disorder phase transitions, the variation in diffraction peaks and the surface morphology of the CuAlMnNi shape memory alloy was investigated. The evolution of the transformation temperatures was studied by differential scanning calorimetry (DSC) with different heating and cooling rates. The differential thermal analysis measurements were performed to obtain the ordered-disordered phase transformations from room temperature to 900 °C. The characteristic transformation temperatures and the thermodynamic parameters were highly sensitive to variations in the applied pressure and also the applied pressure affected the thermodynamic parameters. The activation energy of the sample according to applied pressure values calculated by Kissinger method. The structural changes of the samples were studied by X-ray diffraction (XRD) measurements and by optical microscope observations at room temperature.

Basic electronic properties of iron selenide under variation of structural parameters

NASA Astrophysics Data System (ADS)

Guterding, Daniel; Jeschke, Harald O.; Valentí, Roser

2017-09-01

Since the discovery of high-temperature superconductivity in the thin-film FeSe /SrTiO3 system, iron selenide and its derivates have been intensively scrutinized. Using ab initio density functional theory calculations we review the electronic structures that could be realized in iron selenide if the structural parameters could be tuned at liberty. We calculate the momentum dependence of the susceptibility and investigate the symmetry of electron pairing within the random phase approximation. Both the susceptibility and the symmetry of electron pairing depend on the structural parameters in a nontrivial way. These results are consistent with the known experimental behavior of binary iron chalcogenides and, at the same time, reveal two promising ways of tuning superconducting transition temperatures in these materials: on one hand by expanding the iron lattice of FeSe at constant iron-selenium distance and, on the other hand, by increasing the iron-selenium distance with unchanged iron lattice.

Data for exploring the effect of parameters on decomposition of gas hydrate structure I.

PubMed

Kheshty, Mohammad Fani; Varaminian, Farshad; Farhadian, Nafiseh

2018-06-01

This article describes initial and final configurations of methane hydrate structure I as PDB file at various cage occupancies and different temperatures. Cage occupancies from full occupancy to 75% at three temperatures of 290 K, 300 K and 310 K are presented. Dissociation behavior of gas hydrate structure I at the temperature of 300 K is shown in changing the potential energy and radial distribution function.

Growth parameter dependent structural and optical properties of ZnO nanostructures on Si substrate by a two-zone thermal CVD.

PubMed

Lee, Hee Kwan; Yu, Jae Su

2012-04-01

We investigated the effect of growth parameters on the structural and optical properties of the ZnO nanostructures (NSs) grown on Au-coated Si substrate by a two-zone thermal chemical vapor deposition. The morphologies of ZnO NSs were controlled by various growth parameters, such as growth temperature, O2 flow rate, and working pressure, for different thicknesses of Au layer. The nanorod-like ZnO NSs were formed at 915 degrees C and the growth of two-dimensional structures, i.e., nanosheets, was enhanced with the increase of growth temperature up to 965 degrees C. It was found that the low working pressure contributed to improvement in vertical alignment and uniformity of ZnO NSs. The Zn/O atomic % ratio, which plays a key role in the growth mechanism of ZnO NSs, was changed by the growth parameters. The Zn/O atomic % ratio was increased with increasing the growth temperature, while it was decreased with increasing the working pressure. Under proper O2 flow rate, the ZnO nanorods with good crystallinity were fabricated with a Zn/O atomic % ratio of -0.9. For various growth parameters, the photoluminescence emission was slightly shifted with the ultraviolet emission related to the near band edge transition.

Effect of temperature and thermal history on borosilicate glass structure

NASA Astrophysics Data System (ADS)

Angeli, Frédéric; Villain, Olivier; Schuller, Sophie; Charpentier, Thibault; de Ligny, Dominique; Bressel, Lena; Wondraczek, Lothar

2012-02-01

The influence of the temperature and quenching rate on the structure of a borosilicate glass was studied by high-resolution solid-state 11B, 23Na, 29Si nuclear magnetic resonance (NMR) and high-temperature Raman spectroscopy. Data were obtained for glass in the solid state after annealing and quenching at cooling rates covering four orders of magnitude as well as in the liquid state from Raman experiments and from calorimetry and rheological data. Nuclear magnetic resonance measurements were used to calibrate the Raman spectra in order to quantify the change in boron coordination with temperature. This result can then be used to determine the fictive temperature of the glass directly from the boron coordination. The fictive temperature, heat capacity, and configurational entropy are extracted from calorimetry and viscosity measurements. Changes in the boron coordination account for only 25% of the configurational heat capacity of the liquid. The structural parameters capable of accounting for the remaining quantity are discussed on the basis of structural data, both local (inhomogeneity of the sodium distribution) and medium-range (from NMR parameter distribution). It has thus been shown that, although the B-O-B angular distributions of the boroxol rings (and probably the Si-O-Si distributions) are not affected by temperature, a structural disorder is identified through the angular distributions of the bonds linking borate and silicate groups.

Fiber Optic Sensors for Health Monitoring of Morphing Airframes. Part 1; Bragg Grating Strain and Temperature Sensor

NASA Technical Reports Server (NTRS)

Wood, Karen; Brown, Timothy; Rogowski, Robert; Jensen, Brian

2000-01-01

Fiber optic sensors are being developed for health monitoring of future aircraft. Aircraft health monitoring involves the use of strain, temperature, vibration and chemical sensors to infer integrity of the aircraft structure. Part 1 of this two part series describes sensors that will measure load and temperature signatures of these structures. In some cases a single fiber may be used for measuring these parameters. Part 2 will describe techniques for using optical fibers to monitor composite cure in real time during manufacture and to monitor in-service integrity of composite structures using a single fiber optic sensor capable of measuring multiple chemical and physical parameters. The facilities for fabricating optical fiber and associated sensors and the methods of demodulating Bragg gratings for strain measurement will be described.

Ab Initio Study of the Electronic Structure, Elastic Properties, Magnetic Feature and Thermodynamic Properties of the Ba2NiMoO6 Material

NASA Astrophysics Data System (ADS)

Deluque Toro, C. E.; Mosquera Polo, A. S.; Gil Rebaza, A. V.; Landínez Téllez, D. A.; Roa-Rojas, J.

2018-04-01

We report first-principles calculations of the elastic properties, electronic structure and magnetic behavior performed over the Ba2NiMoO6 double perovskite. Calculations are carried out through the full-potential linear augmented plane-wave method within the framework of the Density Functional Theory (DFT) with exchange and correlation effects in the Generalized Gradient and Local Density Approximations, including spin polarization. The elastic properties calculated are bulk modulus (B), the elastic constants (C 11, C 12 and C 44), the Zener anisotropy factor (A), the isotropic shear modulus (G), the Young modulus (Y) and the Poisson ratio (υ). Structural parameters, total energies and cohesive properties of the perovskite are studied by means of minimization of internal parameters with the Murnaghan equation, where the structural parameters are in good agreement with experimental data. Furthermore, we have explored different antiferromagnetic configurations in order to describe the magnetic ground state of this compound. The pressure and temperature dependence of specific heat, thermal expansion coefficient, Debye temperature and Grüneisen parameter were calculated by DFT from the state equation using the quasi-harmonic model of Debye. A specific heat behavior C V ≈ C P was found at temperatures below T = 400 K, with Dulong-Petit limit values, which is higher than those, reported for simple perovskites.

Diffusive and subdiffusive dynamics of indoor microclimate: a time series modeling.

PubMed

Maciejewska, Monika; Szczurek, Andrzej; Sikora, Grzegorz; Wyłomańska, Agnieszka

2012-09-01

The indoor microclimate is an issue in modern society, where people spend about 90% of their time indoors. Temperature and relative humidity are commonly used for its evaluation. In this context, the two parameters are usually considered as behaving in the same manner, just inversely correlated. This opinion comes from observation of the deterministic components of temperature and humidity time series. We focus on the dynamics and the dependency structure of the time series of these parameters, without deterministic components. Here we apply the mean square displacement, the autoregressive integrated moving average (ARIMA), and the methodology for studying anomalous diffusion. The analyzed data originated from five monitoring locations inside a modern office building, covering a period of nearly one week. It was found that the temperature data exhibited a transition between diffusive and subdiffusive behavior, when the building occupancy pattern changed from the weekday to the weekend pattern. At the same time the relative humidity consistently showed diffusive character. Also the structures of the dependencies of the temperature and humidity data sets were different, as shown by the different structures of the ARIMA models which were found appropriate. In the space domain, the dynamics and dependency structure of the particular parameter were preserved. This work proposes an approach to describe the very complex conditions of indoor air and it contributes to the improvement of the representative character of microclimate monitoring.

Anomalous Thermal Expansion of HoCo0.5Cr0.5O3 Probed by X-ray Synchrotron Powder Diffraction.

PubMed

Hreb, Vasyl; Vasylechko, Leonid; Mykhalichko, Vitaliya; Prots, Yurii

2017-12-01

Mixed holmium cobaltite-chromite HoCo 0.5 Cr 0.5 O 3 with orthorhombic perovskite structure (structure type GdFeO 3 , space group Pbnm) was obtained by solid state reaction of corresponding oxides in air at 1373 K. Room- and high-temperature structural parameters were derived from high-resolution X-ray synchrotron powder diffraction data collected in situ in the temperature range of 300-1140 K. Analysis of the results obtained revealed anomalous thermal expansion of HoCo 0.5 Cr 0.5 O 3 , which is reflected in a sigmoidal temperature dependence of the unit cell parameters and in abnormal increase of the thermal expansion coefficients with a broad maxima near 900 K. Pronounced anomalies are also observed for interatomic distances and angles within Co/CrO 6 octahedra, tilt angles of octahedra and atomic displacement parameters. The observed anomalies are associated with the changes of spin state of Co 3+ ions and insulator-metal transition occurring in HoCo 0.5 Cr 0.5 O 3 .

Anomalous Thermal Expansion of HoCo0.5Cr0.5O3 Probed by X-ray Synchrotron Powder Diffraction

NASA Astrophysics Data System (ADS)

Hreb, Vasyl; Vasylechko, Leonid; Mykhalichko, Vitaliya; Prots, Yurii

2017-07-01

Mixed holmium cobaltite-chromite HoCo0.5Cr0.5O3 with orthorhombic perovskite structure (structure type GdFeO3, space group Pbnm) was obtained by solid state reaction of corresponding oxides in air at 1373 K. Room- and high-temperature structural parameters were derived from high-resolution X-ray synchrotron powder diffraction data collected in situ in the temperature range of 300-1140 K. Analysis of the results obtained revealed anomalous thermal expansion of HoCo0.5Cr0.5O3, which is reflected in a sigmoidal temperature dependence of the unit cell parameters and in abnormal increase of the thermal expansion coefficients with a broad maxima near 900 K. Pronounced anomalies are also observed for interatomic distances and angles within Co/CrO6 octahedra, tilt angles of octahedra and atomic displacement parameters. The observed anomalies are associated with the changes of spin state of Co3+ ions and insulator-metal transition occurring in HoCo0.5Cr0.5O3.

Influence of structural parameters on the tendency of VVER-1000 reactor pressure vessel steel to temper embrittlement

NASA Astrophysics Data System (ADS)

Gurovich, B.; Kuleshova, E.; Zabusov, O.; Fedotova, S.; Frolov, A.; Saltykov, M.; Maltsev, D.

2013-04-01

In this paper the influence of structural parameters on the tendency of steels to reversible temper embrittlement was studied for assessment of performance properties of reactor pressure vessel steels with extended service life. It is shown that the growth of prior austenite grain size leads to an increase of the critical embrittlement temperature in the initial state. An embrittlement heat treatment at the temperature of maximum manifestation of temper embrittlement (480 °C) shifts critical embrittlement temperature to higher values due to the increase of the phosphorus concentration on grain boundaries. There is a correlation between phosphorus concentration on boundaries of primary austenite grains and the share of brittle intergranular fracture (that, in turn, depends on impact test temperature) in the fracture surfaces of the tested Charpy specimens.

Some Calculated Research Results of the Working Process Parameters of the Low Thrust Rocket Engine Operating on Gaseous Oxygen-Hydrogen Fuel

NASA Astrophysics Data System (ADS)

Ryzhkov, V.; Morozov, I.

2018-01-01

The paper presents the calculating results of the combustion products parameters in the tract of the low thrust rocket engine with thrust P ∼ 100 N. The article contains the following data: streamlines, distribution of total temperature parameter in the longitudinal section of the engine chamber, static temperature distribution in the cross section of the engine chamber, velocity distribution of the combustion products in the outlet section of the engine nozzle, static temperature near the inner wall of the engine. The presented parameters allow to estimate the efficiency of the mixture formation processes, flow of combustion products in the engine chamber and to estimate the thermal state of the structure.

Characteristics of 5M modulated martensite in Ni-Mn-Ga magnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Ćakır, A.; Acet, M.; Righi, L.; Albertini, F.; Farle, M.

2015-09-01

The applicability of the magnetic shape memory effect in Ni-Mn-based martensitic Heusler alloys is closely related to the nature of the crystallographically modulated martensite phase in these materials. We study the properties of modulated phases as a function of temperature and composition in three magnetic shape memory alloys Ni49.8Mn25.0Ga25.2, Ni49.8Mn27.1Ga23.1 and Ni49.5Mn28.6Ga21.9. The effect of substituting Ga for Mn leads to an anisotropic expansion of the lattice, where the b-parameter of the 5M modulated structure increases and the a and c-parameters decrease with increasing Ga concentration. The modulation vector is found to be both temperature and composition dependent. The size of the modulation vector corresponds to an incommensurate structure for Ni49.8Mn25.0Ga25.2 at all temperatures. For the other samples the modulation is incommensurate at low temperatures but reaches a commensurate value of q ≈ 0.400 close to room temperature. The results show that commensurateness of the 5M modulated structure is a special case of incommensurate 5M at a particular temperature.

Hansen solubility parameters for polyethylene glycols by inverse gas chromatography.

PubMed

Adamska, Katarzyna; Voelkel, Adam

2006-11-03

Inverse gas chromatography (IGC) has been applied to determine solubility parameter and its components for nonionic surfactants--polyethylene glycols (PEG) of different molecular weight. Flory-Huggins interaction parameter (chi) and solubility parameter (delta(2)) were calculated according to DiPaola-Baranyi and Guillet method from experimentally collected retention data for the series of carefully selected test solutes. The Hansen's three-dimensional solubility parameters concept was applied to determine components (delta(d), delta(p), delta(h)) of corrected solubility parameter (delta(T)). The molecular weight and temperature of measurement influence the solubility parameter data, estimated from the slope, intercept and total solubility parameter. The solubility parameters calculated from the intercept are lower than those calculated from the slope. Temperature and structural dependences of the entopic factor (chi(S)) are presented and discussed.

Temperature-independent fiber-Bragg-grating-based atmospheric pressure sensor

NASA Astrophysics Data System (ADS)

Zhang, Zhiguo; Shen, Chunyan; Li, Luming

2018-03-01

Atmospheric pressure is an important way to achieve a high degree of measurement for modern aircrafts, moreover, it is also an indispensable parameter in the meteorological telemetry system. With the development of society, people are increasingly concerned about the weather. Accurate and convenient atmospheric pressure parameters can provide strong support for meteorological analysis. However, electronic atmospheric pressure sensors currently in application suffer from several shortcomings. After an analysis and discussion, we propose an innovative structural design, in which a vacuum membrane box and a temperature-independent strain sensor based on an equal strength cantilever beam structure and fiber Bragg grating (FBG) sensors are used. We provide experimental verification of that the atmospheric pressure sensor device has the characteristics of a simple structure, lack of an external power supply, automatic temperature compensation, and high sensitivity. The sensor system has good sensitivity, which can be up to 100 nm/MPa, and repeatability. In addition, the device exhibits desired hysteresis.

The numerical simulation and experiment on extrusion roller embossing of light diffusion plate with micro-structure

NASA Astrophysics Data System (ADS)

Zang, Gongzheng; Fu, Zhihong; Zhang, Lei; Wan, Yue

2018-01-01

Extrusion roller embossing process has demonstrated the ability to produce polymer film with micro-structure. However the influence of various parameters on the forming quality has not been understood clearly. In this paper, a light diffusion plate with semi cylindrical micro-structure array as the research object, the influence of the main processing parameters such as roller speed, pressuring distance and polymer film temperature to the rolling quality was investigated in detail by simulation and experimental methods. The results show that the thickness of the light diffusion plate and the micro-structure fitting diameter increases with the increasing of the roll speed and the polymer film temperature, and decreases with the increasing of the pressing distance. Besides, the simulation results conformed well to the experimental results.

Theoretical investigations on structural, elastic and electronic properties of thallium halides

NASA Astrophysics Data System (ADS)

Singh, Rishi Pal; Singh, Rajendra Kumar; Rajagopalan, Mathrubutham

2011-04-01

Theoretical investigations on structural, elastic and electronic properties, viz. ground state lattice parameter, elastic moduli and density of states, of thallium halides (viz. TlCl and TlBr) have been made using the full potential linearized augmented plane wave method within the generalized gradient approximation (GGA). The ground state lattice parameter and bulk modulus and its pressure derivative have been obtained using optimization method. Young's modulus, shear modulus, Poisson ratio, sound velocities for longitudinal and shear waves, Debye average velocity, Debye temperature and Grüneisen parameter have also been calculated for these compounds. Calculated structural, elastic and other parameters are in good agreement with the available data.

SAW parameters on Y-cut langasite structured materials.

PubMed

Puccio, Derek; Malocha, Donald C; Saldanha, Nancy; da Cunha, Mauricio Pereira

2007-09-01

This paper presents results and investigations of several new, man-made piezoelectric single crystal, Czochralski-grown substrate materials for surface acoustic waves (SAW) applications. These materials, langanite (LGN), langatate (LGT), Sr3TaGa3Si2O14 (STGS), Sr3NbGa3Si2O14 (SNGS), Ca3TaGa3Si2O14 (CTGS), and Ca3NbGa3Si2O14 (CNGS), have the same structure as langasite (LGS) and are of the same crystal class as quartz. These compounds are denser than quartz, resulting in lower phase velocities. They also have higher coupling. Unlike quartz and lithium niobate, there is no degradation of material properties below the material melting points resulting in the possibility of extreme high-temperature operation (> 1000 degrees C). This paper gives a summary of extracted SAW material parameters for various propagation angles on Y-cut substrates of the six materials. Parameters included are electromechanical coupling, phase velocity, transducer capacitance, metal strip reflectivity, and temperature coefficient of frequency. Using previously published fundamental material constants, extracted parameters are compared with predictions for LGT and LGN. In addition, power flow angle and fractional frequency curvature data are reported for propagation angles on CTGS and CNGS Y-cut substrates that exhibit temperature compensation near room temperature. Detailed descriptions of the SAW parameter extraction techniques are given. A discussion of the results is provided, including a comparison of extracted parameters and an overview of possible SAW applications.

Temperature Dependences of the Product of the Differential Resistance by the Area in MIS-Structures Based on Cd x Hg1- x Te Grown by Molecularbeam Epitaxy on Alternative Si and GaAs Substrates

NASA Astrophysics Data System (ADS)

Voitsekhovskii, A. V.; Nesmelov, S. N.; Dzyadukh, S. M.; Varavin, V. S.; Vasil'ev, V. V.; Dvoretskii, S. A.; Mikhailov, N. N.; Yakushev, M. V.; Sidorov, G. Yu.

2017-06-01

In a temperature range of 9-200 K, temperature dependences of the differential resistance of space-charge region in the strong inversion mode are experimentally studied for MIS structures based on CdxHg1-xTe (x = 0.22-0.40) grown by molecular-beam epitaxy. The effect of various parameters of structures: the working layer composition, the type of a substrate, the type of insulator coating, and the presence of a near-surface graded-gap layer on the value of the product of differential resistance by the area is studied. It is shown that the values of the product RSCRA for MIS structures based on n-CdHgTe grown on a Si(013) substrate are smaller than those for structures based on the material grown on a GaAs(013) substrate. The values of the product RSCRA for MIS structures based on p-CdHgTe grown on a Si(013) substrate are comparable with the value of the analogous parameter for MIS structures based on p-CdHgTe grown on a GaAs(013) substrate.

Order parameters in lanthanum gallate lightly doped with manganese and paramagnetic resonance

NASA Astrophysics Data System (ADS)

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

2010-09-01

The Cr3+ centers have been revealed, transitions at room temperature have been identified, and spin Hamiltonian parameters have been determined for the Cr3+ and Fe3+ triclinic centers in lanthanum gallate lightly doped with manganese. The principal axes of the fourth-rank fine-structure tensor for the Fe3+ triclinic centers have been established and used to determine the order parameters, i.e., the angles of rotation of oxygen octahedra of lanthanum gallate with respect to the perovskite structure. The order parameter in the rhombohedral phase has been estimated.

Cold-Adapted Enzymes

NASA Astrophysics Data System (ADS)

Georlette, D.; Bentahir, M.; Claverie, P.; Collins, T.; D'amico, S.; Delille, D.; Feller, G.; Gratia, E.; Hoyoux, A.; Lonhienne, T.; Meuwis, M.-a.; Zecchinon, L.; Gerday, Ch.

In the last few years, increased attention has been focused on enzymes produced by cold-adapted micro-organisms. It has emerged that psychrophilic enzymes represent an extremely powerful tool in both protein folding investigations and for biotechnological purposes. Such enzymes are characterised by an increased thermosensitivity and, most of them, by a higher catalytic efficiency at low and moderate temperatures, when compared to their mesophilic counterparts. The high thermosensitivity probably originates from an increased flexibility of either a selected area of the molecular edifice or the overall protein structure, providing enhanced abilities to undergo conformational changes during catalysis at low temperatures. Structure modelling and recent crystallographic data have allowed to elucidate the structural parameters that could be involved in this higher resilience. It was demonstrated that each psychrophilic enzyme adopts its own adaptive strategy. It appears, moreover, that there is a continuum in the strategy of protein adaptation to temperature, as the previously mentioned structural parameters are implicated in the stability of thermophilic proteins. Additional 3D crystal structures, site-directed and random mutagenesis experiments should now be undertaken to further investigate the stability-flexibility-activity relationship.

Airborne-Measured Spatially-Averaged Temperature and Moisture Turbulent Structure Parameters Over a Heterogeneous Surface

NASA Astrophysics Data System (ADS)

Platis, Andreas; Martinez, Daniel; Bange, Jens

2014-05-01

Turbulent structure parameters of temperature and humidity can be derived from scintillometer measurements along horizontal paths of several 100 m to several 10 km. These parameters can be very useful to estimate the vertical turbulent heat fluxes at the surface (applying MOST). However, there are many assumptions required by this method which can be checked using in situ data, e.g. 1) Were CT2 and CQ2 correctly derived from the initial CN2 scintillometer data (structure parameter of density fluctuations or refraction index, respectively)? 2) What is the influence of the surround hetereogeneous surface regarding its footprint and the weighted averaging effect of the scintillometer method 3) Does MOST provide the correct turbulent fluxes from scintillometer data. To check these issues, in situ data from low-level flight measurements are well suited, since research aircraft cover horizontal distances in very short time (Taylor's hypothesis of a frozen turbulence structure can be applyed very likely). From airborne-measured time series the spatial series are calculated and then their structure functions that finally provide the structure parameters. The influence of the heterogeneous surface can be controlled by the definition of certain moving-average window sizes. A very useful instrument for this task are UAVs since they can fly very low and maintain altitude very precisely. However, the data base of such unmanned operations is still quite thin. So in this contribution we want to present turbulence data obtained with the Helipod, a turbulence probe hanging below a manned helicopter. The structure parameters of temperature and moisture, CT2 and CQ2, in the lower convective boundary layer were derived from data measured using the Helipod in 2003. The measurements were carried out during the LITFASS03 campaign over a heterogeneous land surface around the boundary-layer field site of the Lindenberg Meteorological Observatory-Richard-Aßmann-Observatory (MOL) of the German Meteorological Service during May and June. The synoptic situation of the analyzed days are fair weather conditions with temperature at about 30, sometimes with previous rain events. The spatial series of CT2 and CQ2 showed considerable variability along the flight path that was caused by surface heterogeneity. Measurement flights were performed in the morning and during noon, allowing for a temporal evaluation of the structure parameters during the day. CT2 indicates a high variability between forest, agricultural landscape and lakes at a flight level of 100 m above ground. CQ2 showed lower variations between the different types of soils. The decrease of CT2 with height as predicted by free-convection scaling was confirmed for the analyzed flights.

An all fiber-optic multi-parameter structure health monitoring system

DOE PAGES

Hu, Chennan; Yu, Zhihao; Wang, Anbo

2016-08-24

In this article, we present an all fiber-optics based multi-parameter structure health monitoring system, which is able to monitor strain, temperature, crack and thickness of metal structures. This system is composed of two optical fibers, one for laser-acoustic excitation and the other for acoustic detection. A nano-second 1064 nm pulse laser was used for acoustic excitation and a 2 mm fiber Bragg grating was used to detect the acoustic vibration. The feasibility of this system was demonstrated on an aluminum test piece by the monitoring of the temperature, strain and thickness changes, as well as the appearance of an artificialmore » crack. The multiplexing capability of this system was also preliminarily demonstrated.« less

An all fiber-optic multi-parameter structure health monitoring system

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

Hu, Chennan; Yu, Zhihao; Wang, Anbo

In this article, we present an all fiber-optics based multi-parameter structure health monitoring system, which is able to monitor strain, temperature, crack and thickness of metal structures. This system is composed of two optical fibers, one for laser-acoustic excitation and the other for acoustic detection. A nano-second 1064 nm pulse laser was used for acoustic excitation and a 2 mm fiber Bragg grating was used to detect the acoustic vibration. The feasibility of this system was demonstrated on an aluminum test piece by the monitoring of the temperature, strain and thickness changes, as well as the appearance of an artificialmore » crack. The multiplexing capability of this system was also preliminarily demonstrated.« less

The thermal structure of Titan's atmosphere

NASA Technical Reports Server (NTRS)

Mckay, Christopher P.; Pollack, James B.; Courtin, Regis

1989-01-01

The present radiative-convective model of the Titan atmosphere thermal structure obtains the solar and IR radiation in a series of spectral intervals with vertical resolution. Haze properties have been determined with a microphysics model encompassing a minimum of free parameters. It is determined that gas and haze opacity alone, using temperatures established by Voyager observations, yields a model that is within a few percent of the radiative convective balance throughout the Titan atmosphere. Model calculations of the surface temperature are generally colder than the observed value by 5-10 K; better agreement is obtained through adjustment of the model parameters. Sunlight absorption by stratospheric haze and pressure-induced gas opacity in the IR are the most important thermal structure-controlling factors.

High Temperature Aerogels in the Al2O3-SiO2 System

NASA Technical Reports Server (NTRS)

Hurwitz, Frances I.; Aranda, Denisse V.; Gallagher, Meghan E.

2008-01-01

Al2O3-SiO2 aerogels are of interest as constituents of thermal insulation systems for use at high temperatures. Al2O3 and mullite aerogels are expected to crystallize at higher temperatures than their SiO2 counterparts, hence avoiding the shrinkages that accompany the formation of lower temperature SiO2 phases and preserving pore structures into higher temperature regimes. The objective of this work is to determine the influence of processing parameters on shrinkage, gel structure (including surface area, pore size and distribution) and pyrolysis behavior.

Combined electrochemical, heat generation, and thermal model for large prismatic lithium-ion batteries in real-time applications

NASA Astrophysics Data System (ADS)

Farag, Mohammed; Sweity, Haitham; Fleckenstein, Matthias; Habibi, Saeid

2017-08-01

Real-time prediction of the battery's core temperature and terminal voltage is very crucial for an accurate battery management system. In this paper, a combined electrochemical, heat generation, and thermal model is developed for large prismatic cells. The proposed model consists of three sub-models, an electrochemical model, heat generation model, and thermal model which are coupled together in an iterative fashion through physicochemical temperature dependent parameters. The proposed parameterization cycles identify the sub-models' parameters separately by exciting the battery under isothermal and non-isothermal operating conditions. The proposed combined model structure shows accurate terminal voltage and core temperature prediction at various operating conditions while maintaining a simple mathematical structure, making it ideal for real-time BMS applications. Finally, the model is validated against both isothermal and non-isothermal drive cycles, covering a broad range of C-rates, and temperature ranges [-25 °C to 45 °C].

Temperature control in continuous furnace by structural diagram method

NASA Technical Reports Server (NTRS)

Lei, Xia; Hartley, Tom T.

1991-01-01

The fundamentals of the structural diagram method for distributed parameter systems (DPSs) are presented and reviewed. An example is given to illustrate the application of this method for control design.

Thermo-optic characteristics and switching power limit of slow-light photonic crystal structures on a silicon-on-insulator platform.

PubMed

Chahal, Manjit; Celler, George K; Jaluria, Yogesh; Jiang, Wei

2012-02-13

Employing a semi-analytic approach, we study the influence of key structural and optical parameters on the thermo-optic characteristics of photonic crystal waveguide (PCW) structures on a silicon-on-insulator (SOI) platform. The power consumption and spatial temperature profile of such structures are given as explicit functions of various structural, thermal and optical parameters, offering physical insight not available in finite-element simulations. Agreement with finite-element simulations and experiments is demonstrated. Thermal enhancement of the air-bridge structure is analyzed. The practical limit of thermo-optic switching power in slow light PCWs is discussed, and the scaling with key parameters is analyzed. Optical switching with sub-milliwatt power is shown viable.

Domain structure sequence in ferroelectric Pb(Zr0.2Ti0.8)O3 thin film on MgO

NASA Astrophysics Data System (ADS)

Janolin, Pierre-Eymeric; Fraisse, Bernard; Dkhil, Brahim; Le Marrec, Françoise; Ringgaard, Erling

2007-04-01

The structural evolution of a polydomain ferroelectric Pb(Zr0.2Ti0.8)O3 film was studied by temperature-dependent x-ray diffraction. Two critical temperatures were evidenced: T*=740K, corresponding to a change in the domain structure (a /c/a/c to a1/a2/a1/a2), and TCfilm=825K, where the film undergoes a ferroelectric-paraelectric phase transition. The film remains tetragonal on the whole range of temperature investigated. The evolutions of the domain structure and lattice parameters were found to be in very good agreement with the calculated domain stability map and theoretical temperature-misfit strain phase diagram, respectively.

On-fiber plasmonic interferometer for multi-parameter sensing

DOE PAGES

Zhang, Zhijian; Chen, Yongyao; Liu, Haijun; ...

2015-01-01

We demonstrate a novel miniature multi-parameter sensing device based on a plasmonic interferometer fabricated on a fiber facet in the optical communication wavelength range. This device enables the coupling between surface plasmon resonance and plasmonic interference in the structure, which are the two essential mechanisms for multi-parameter sensing. We experimentally show that these two mechanisms have distinctive responses to temperature and refractive index, rendering the device the capability of simultaneous temperature and refractive index measurement on an ultra-miniature form factor. A high refractive index sensitivity of 220 nm per refractive index unit (RIU) and a high temperature sensitivity of –60more » pm/ °C is achieved with our device.« less

Pulsed laser deposition of lithium niobate thin films

NASA Astrophysics Data System (ADS)

Canale, L.; Girault-Di Bin, C.; Cosset, F.; Bessaudou, A.; Celerier, A.; Decossas, J.-Louis; Vareille, J.-C.

2000-12-01

Pulsed laser deposition of Lithium Niobate thin films onto sapphire (0001) substrates is reported. Thin films composition and structure have been determined using Rutherford Backscattermg Spectroscopy (RBS) and X-ray diffraction ( XRD) experiments. The influe:nce of deposition parameters such as substrate temperature, oxygen pressure and target to substrate distance on the composition and the structure of the films has been studied. Deposition temperature is found to be an important parameter which enables us to grow LiNbO3 films without the Li deficient phase LiNb3O8. Nearly stoichiometric thin fihns have been obtained for an oxygen pressure of 0. 1 Ton and a substrate temperature of 800°C. Under optimized conditions the (001) preferential orientation of growth, suitable for most optical applications, has been obtained.

Threshold Dynamics of a Temperature-Dependent Stage-Structured Mosquito Population Model with Nested Delays.

PubMed

Wang, Xiunan; Zou, Xingfu

2018-05-21

Mosquito-borne diseases remain a significant threat to public health and economics. Since mosquitoes are quite sensitive to temperature, global warming may not only worsen the disease transmission case in current endemic areas but also facilitate mosquito population together with pathogens to establish in new regions. Therefore, understanding mosquito population dynamics under the impact of temperature is considerably important for making disease control policies. In this paper, we develop a stage-structured mosquito population model in the environment of a temperature-controlled experiment. The model turns out to be a system of periodic delay differential equations with periodic delays. We show that the basic reproduction number is a threshold parameter which determines whether the mosquito population goes to extinction or remains persistent. We then estimate the parameter values for Aedes aegypti, the mosquito that transmits dengue virus. We verify the analytic result by numerical simulations with the temperature data of Colombo, Sri Lanka where a dengue outbreak occurred in 2017.

Urea-temperature phase diagrams capture the thermodynamics of denatured state expansion that accompany protein unfolding

PubMed Central

Tischer, Alexander; Auton, Matthew

2013-01-01

We have analyzed the thermodynamic properties of the von Willebrand factor (VWF) A3 domain using urea-induced unfolding at variable temperature and thermal unfolding at variable urea concentrations to generate a phase diagram that quantitatively describes the equilibrium between native and denatured states. From this analysis, we were able to determine consistent thermodynamic parameters with various spectroscopic and calorimetric methods that define the urea–temperature parameter plane from cold denaturation to heat denaturation. Urea and thermal denaturation are experimentally reversible and independent of the thermal scan rate indicating that all transitions are at equilibrium and the van't Hoff and calorimetric enthalpies obtained from analysis of individual thermal transitions are equivalent demonstrating two-state character. Global analysis of the urea–temperature phase diagram results in a significantly higher enthalpy of unfolding than obtained from analysis of individual thermal transitions and significant cross correlations describing the urea dependence of and that define a complex temperature dependence of the m-value. Circular dichroism (CD) spectroscopy illustrates a large increase in secondary structure content of the urea-denatured state as temperature increases and a loss of secondary structure in the thermally denatured state upon addition of urea. These structural changes in the denatured ensemble make up ∼40% of the total ellipticity change indicating a highly compact thermally denatured state. The difference between the thermodynamic parameters obtained from phase diagram analysis and those obtained from analysis of individual thermal transitions illustrates that phase diagrams capture both contributions to unfolding and denatured state expansion and by comparison are able to decipher these contributions. PMID:23813497

Ion and electron temperatures in the SUMMA mirror device by emission spectroscopy

NASA Technical Reports Server (NTRS)

Patch, R. W.; Voss, D. E.; Reinmann, J. J.; Snyder, A.

1974-01-01

Ion and electron temperatures, and ion drift were measured in a superconducting magnetic mirror apparatus by observing the Doppler-broadened charge-exchange component of the 667.8 and 587.6 nanometer He lines in He plasma, and the H sub alpha and H sub beta lines in H2 plasma. The second moment of the line profiles was used as the parameter for determining ion temperature. Corrections for magnetic splitting, fine structure, monochromator slit function, and variation in charge-exchange cross section with energy are included. Electron temperatures were measured by the line ratio method for the corona model, and correlations of ion and electron temperatures with plasma parameters are presented.

Effect of deposition temperature on the structural and optical properties of CdSe QDs thin films deposited by CBD method

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

Laatar, F., E-mail: fakher8laatar@gmail.com; Harizi, A.; Smida, A.

2016-06-15

Highlights: • Synthesis of CdSe QDs with L-Cysteine capping agent for applications in nanodevices. • The films of CdSe QDs present uniform and good dispersive particles at the surface. • Effect of bath temperature on the structural and optical properties of CdSe QDs thin films. • Investigation of the optical constants and dispersion parameters of CdSe QDs thin films. - Abstract: Cadmium selenide quantum dots (CdSe QDs) thin films were deposited onto glass substrates by a chemical bath deposition (CBD) method at different temperatures from an aqueous solution containing L-Cysteine (L-Cys) as capping agent. The evolution of the surface morphologymore » and elemental composition of the CdSe films were studied by AFM, SEM, and EDX analyses. Structural and optical properties of CdSe thin films were investigated by XRD, UV–vis and PL spectroscopy. The dispersion behavior of the refractive index is described using the single oscillator Wemple-DiDomenico (W-D) model, and the physical dispersion parameters are calculated as a function of deposition temperature. The dispersive optical parameters such as average oscillator energy (E{sub o}), dispersion energy (E{sub d}), and static refractive index (n{sub o}) were found to vary with the deposition temperature. Besides, the electrical free carrier susceptibility (χ{sub e}) and the carrier concentration of the effective mass ratio (N/m*) were evaluated according to the Spitzer-Fan model.« less

Effect of Cross-linking Density on Creep and Recovery Behavior in Epoxy-Based Shape Memory Polymers (SMEPs) for Structural Applications

NASA Astrophysics Data System (ADS)

Rao, Kavitha V.; Ananthapadmanabha, G. S.; Dayananda, G. N.

2016-12-01

Epoxy-based shape memory polymers (SMEPs) are gaining importance in the area of aerospace structures due to their high strength and stiffness which is a primary requirement for an SMEP in structural applications. The understanding of viscoelastic behavior of SMEPs is very essential to assess their shape memory effect. In the present work, three types of SMEPs with varying cross-linking densities were developed by curing an aromatic epoxy resin with aliphatic amines. Glass transition temperature ( T g) was measured for these SMEPs using advanced rheometric expansion system, and from the T g measurements, a range of temperatures from glassy to rubbery regimes were chosen. At selected temperatures, creep-recovery tests were performed in order to evaluate the viscoelastic behavior of SMEPs and also to investigate the effect of temperature on creep-recovery. Further, a three-parameter viscoelastic model (Zener) was used to fit the data obtained from experiments. Model parameters like moduli of the springs and viscosity of the dashpot were evaluated by curve fitting. Results revealed that Zener model was well suited to describe the viscoelastic behavior of SMEPs as a function of test temperatures.

Morphology and electronic structure of nanoscale powders of calcium hydroxyapatite

NASA Astrophysics Data System (ADS)

Kurgan, Nataly; Karbivskyy, Volodymyr; Kasyanenko, Vasyl

2015-02-01

Atomic force microscopy, infrared spectroscopy and NMR studied morphological and physicochemical properties of calcium hydroxyapatite powders produced by changing the temperature parameters of synthesis. Features of morphology formation of calcium hydroxyapatite nanoparticles with an annealing temperature within 200°C to 1,100°C were determined. It is shown that the particle size of the apatite obtained that annealed 700°C is 40 nm corresponding to the particle size of apatite in native bone. The effect of dimension factor on structural parameters of calcium hydroxyapatite is manifested in a more local symmetry of the PO4 3- tetrahedra at nanodispersed calcium hydroxyapatite.

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.

The relation between lattice parameters and very low twinning stress in Ni50Mn25+x Ga25-x magnetic shape memory alloys

NASA Astrophysics Data System (ADS)

Straka, L.; Drahokoupil, J.; Pacherová, O.; Fabiánová, K.; Kopecký, V.; Seiner, H.; Hänninen, H.; Heczko, O.

2016-02-01

In search of the origins of the extraordinary low twinning stress of Ni-Mn-Ga 10M martensite, we studied the temperature induced changes in lattice parameters of Ni50Mn25+x Ga25-x (x = 2.7-3.9) single crystal samples and compared them with twinning stress dependences. The alloys exhibited transformation to five-layered (10M) martensite structure (cubic to monoclinic) between 297 to 328 K and exhibited the magnetic shape memory effect in martensite. The structural changes were monitored using x-ray diffraction in the temperature range 200-343 K. The 10M structure was approximated by monoclinic lattice, a = b > c, γ > 90° with the coordinates derived from the cubic unit cell of the parent L21 phase. The lattice parameters γ and c/a correlate well with the universal linear increase of twinning stress of type 1 twins with decreasing temperature. On the contrary, the twinning stress is not affected by differences between a and b and thus a/b twins seem to play no role in a - c twin boundary motion resulting in magnetically induced reorientation.

High-resolution neutron diffraction study of CuNCN: New evidence of structure anomalies at low temperature

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

Jacobs, Philipp; Houben, Andreas; Dronskowski, Richard, E-mail: drons@HAL9000.ac.rwth-aachen.de

Copper carbodiimide (CuNCN) is the nitrogen-containing analogue of cupric oxide. Based on high-resolution neutron-diffraction data, CuNCN's lattice parameters are derived as a function of the temperature. In accordance with a recent synchrotron study, a clear trend in the cell parameter a is observed accompanying the changing magnetic behavior. With decreasing temperature, a slowly decreases to a minimum at ∼100 K after which it rises again. The same trend—albeit more pronounced—is observed for the c lattice parameter at ∼35 K. The herein presented neutron powder-diffraction data also support the conjectured sequence of transitions from the high-temperature one-dimensional resonating valence-bond (RVB) statemore » to a transient two-dimensional RVB state and eventually, at lowest temperatures, into another two-dimensional RVB state, presumably the ground state.« less

Global sensitivity analysis for identifying important parameters of nitrogen nitrification and denitrification under model uncertainty and scenario uncertainty

NASA Astrophysics Data System (ADS)

Chen, Zhuowei; Shi, Liangsheng; Ye, Ming; Zhu, Yan; Yang, Jinzhong

2018-06-01

Nitrogen reactive transport modeling is subject to uncertainty in model parameters, structures, and scenarios. By using a new variance-based global sensitivity analysis method, this paper identifies important parameters for nitrogen reactive transport with simultaneous consideration of these three uncertainties. A combination of three scenarios of soil temperature and two scenarios of soil moisture creates a total of six scenarios. Four alternative models describing the effect of soil temperature and moisture content are used to evaluate the reduction functions used for calculating actual reaction rates. The results show that for nitrogen reactive transport problem, parameter importance varies substantially among different models and scenarios. Denitrification and nitrification process is sensitive to soil moisture content status rather than to the moisture function parameter. Nitrification process becomes more important at low moisture content and low temperature. However, the changing importance of nitrification activity with respect to temperature change highly relies on the selected model. Model-averaging is suggested to assess the nitrification (or denitrification) contribution by reducing the possible model error. Despite the introduction of biochemical heterogeneity or not, fairly consistent parameter importance rank is obtained in this study: optimal denitrification rate (Kden) is the most important parameter; reference temperature (Tr) is more important than temperature coefficient (Q10); empirical constant in moisture response function (m) is the least important one. Vertical distribution of soil moisture but not temperature plays predominant role controlling nitrogen reaction. This study provides insight into the nitrogen reactive transport modeling and demonstrates an effective strategy of selecting the important parameters when future temperature and soil moisture carry uncertainties or when modelers face with multiple ways of establishing nitrogen models.

Thermal Performance of Surface Wick Structures.

NASA Astrophysics Data System (ADS)

Chen, Yongkang; Tavan, Noel; Baker, John; Melvin, Lawrence; Weislogel, Mark

2010-03-01

Microscale surface wick structures that exploit capillary driven flow in interior corners have been designed. In this study we examine the interplay between capillary flow and evaporative heat transfer that effectively reduces the surface temperature. The tests are performed by raising the surface temperature to various levels before the flow is introduced to the surfaces. Certainly heat transfer weakens the capillary driven flow. It is observed, however, the surface temperature can be reduced significantly. The effects of geometric parameters and interconnectivity are to be characterized to identify optimal configurations.

Short-term Rn-222 concentration changes in underground spaces with limited air exchange

NASA Astrophysics Data System (ADS)

Fijałkowska-Lichwa, Lidia; Przylibski, Tadeusz A.

2010-05-01

Authors conducted research on radon concentration in two underground structures located in the vicinity of Kletno (Sudety Mts., SW Poland), which are accessible for visitors. One of these structures is Niedźwiedzia (Bear) Cave, and the second one is the part of former uranium mine - Fluorite Adit. Both selected underground structures are characterized by almost constant temperature, changing within the range from +5 to +7° C and also constant relative humidity, close to 100%. Both these parameters testify that air exchange with the atmosphere is very limited. Air exchange is limited particularly in Niedźwiedzia Cave, which microclimate is protected i.e. by applying of locks at the entrance and exit of tourist route. The measurements were conducted between 16.05.2008. and 15.11.2009., by the use of a new Polish equipment - SRDN-3 devices with semiconductor detector. SRDN-3 device records every hour radon concentration as well as atmospheric parameters - relative humidity and temperature. At the same time authors conducted measurements of basic parameters in the open atmosphere close to Niedźwiedzia Cave. Obtained results of atmospheric parameters measurements may be used for both underground structures; because they are located within the distance of about 1 km. Atmospheric parameters were measured by the use of automatic weather station VantagePro2. On the base of conducted research authors corroborate, that the differences of radon concentration in both underground structures reach three orders of magnitude during a year. In Niedźwiedzia Cave these values are in the range from below 88 Bq/m3 (detection limit of the SRDN-3 device) up to 12 kBq/m3. Related values in Fluorite Adit are between < 88 Bq/m3 and 35 kBq/m3. It was observed also the different course of daily radon concentration changes in both structures. Additionally, authors registered that daily course of radon concentration changes differs due to season of the year. Such changes are observed in both structures. The reasons of these changes are probably connected with the way of air exchange between interior of the structure and the atmosphere. In both cases they are determined by atmospheric air temperature changes in relation with the temperature of the air inside the cave or adit. Authors have been still working on this problem. We can also say, that the character of daily radon concentration changes inside both examined structures differ from typical changes noted in dwelling houses.

The Kinetics of Heterogeneous Electron Transfer Reactions in Polar Solvents

DTIC Science & Technology

1994-04-20

focussed on systems for which rate constants and activation parameters are available as a function of the solvent, and as a function of temperature . The... temperature . The role of reactant structure in determining the kinetic parameters is also considered. Double layer effects both at unmodified and...that the Gibbs activation energy to form a monovalent cation from a neutral molecule via electrooxidation is different from that to form a monovalent

Determination of Copper by Graphite Furnace Atomic Absorption Spectrophotometry: A Student Exercise in Instrumental Methods of Analysis.

ERIC Educational Resources Information Center

Williamson, Mark A.

1989-01-01

Discusses a student exercise which requires the optimizing of the charring and atomization temperatures by producing a plot of absorbance versus temperature for each temperature parameter. Notes that although the graphite furnace atomic absorption spectroscopy technique has widespread industrial use, there are no published, structured experiments…

Structural properties of Fe-doped lanthanum gallate

NASA Astrophysics Data System (ADS)

Mori, Kazuhiro; Fukunaga, Toshiharu; Shibata, Koji; Iwase, Kenji; Harjo, Stefanus; Hoshikawa, Akinori; Itoh, Keiji; Kamiyama, Takashi; Ishigaki, Toru

2004-10-01

Structural characteristics of Fe-doped LaGaO3-δ were studied by differential scanning calorimeter, neutron and high-temperature X-ray powder diffraction measurements. It was found that a phase transition temperature increases in proportion to an amount of Fe. The crystal structure could be described as a low-temperature orthorhombic phase (Pnma) and a high-temperature rhombohedral one (R 3 bar c), respectively. Lattice parameters and bond lengths between M (=Ga/Fe) and O are monotonically expand with increasing Fe-content on both orthorhombic and rhombohedral phases. This means that a substitution of Ga3+ with Fe3+ leads to an electronic configuration of t2g3eg2 (high-spin state, HS).

Effect of different temperature-time combinations on physicochemical, microbiological, textural and structural features of sous-vide cooked lamb loins.

PubMed

Roldán, Mar; Antequera, Teresa; Martín, Alberto; Mayoral, Ana Isabel; Ruiz, Jorge

2013-03-01

Lamb loins were subjected to sous-vide cooking at different combinations of temperature (60, 70, and 80 °C) and time (6, 12, and 24 h). Different physicochemical, histological and structural parameters were studied. Increasing cooking temperatures led to higher weight losses and lower moisture contents, whereas the effect of cooking time on these variables was limited. Samples cooked at 60 °C showed the highest lightness and redness, while increasing cooking temperature and cooking time produced higher yellowness values. Most textural variables in a texture profile analysis showed a marked interaction between cooking temperature and time. Samples cooked for 24h showed significantly lower values for most of the studied textural parameters for all the temperatures considered. Connective tissue granulation at 60 °C and gelation at 70 °C were observed in the SEM micrographs. The sous-vide cooking of lamb loins dramatically reduced microbial population even with the less intense heat treatment studied (60 °C-6 h). Copyright © 2012 Elsevier Ltd. All rights reserved.

New generation photoelectric converter structure optimization using nano-structured materials

NASA Astrophysics Data System (ADS)

Dronov, A.; Gavrilin, I.; Zheleznyakova, A.

2014-12-01

In present work the influence of anodizing process parameters on PAOT geometric parameters for optimizing and increasing ETA-cell efficiency was studied. During the calculations optimal geometrical parameters were obtained. Parameters such as anodizing current density, electrolyte composition and temperature, as well as the anodic oxidation process time were selected for this investigation. Using the optimized TiO2 photoelectrode layer with 3,6 μm porous layer thickness and pore diameter more than 80 nm the ETA-cell efficiency has been increased by 3 times comparing to not nanostructured TiO2 photoelectrode.

The special features of the crystal structure and properties of oxides with mixed conductivity based on lanthanum gallate

NASA Astrophysics Data System (ADS)

Politova, E. D.; Ivanov, S. A.; Kaleva, G. M.; Mosunov, A. V.; Rusakov, V. S.

2008-10-01

The paper presents a review of works on the synthesis, structural composition effects, phase transitions, and electrical conductivity properties of multicomponent solid solutions based on heterosubstituted lanthanum gallate (La,A)(Ga,M)O3 - y . High-temperature phase transitions and structural and charge ordering effects were studied. The presence of iron cations in different valence states was proved; the relative contents of these cations depended on the x parameter and nonstoichiometry parameter y of the base composition. For M = Fe, antiferromagnetic ordering was observed; its temperature interval was determined by the concentration of iron cations in the high-spin state. The total conductivity was found to increase as the concentration of transition metal cations grew because of an increase in the electronic conductivity component. The data on structural parameters and dc and ac conductivity substantiated the conclusion that the highest ionic conductivity and permeability to oxygen were characteristic of iron-containing oxides. The results obtained are evidence that crystal chemical factors play a determining role in the formation of the ion-conducting properties of anion-deficient perovskite-like oxides.

The phase transition of Pb8F14I2.

PubMed

Weil, Matthias

2017-01-01

The reversible phase transition of Pb 8 F 14 I 2 is of continuous type and takes place at about 107 °C as monitored by temperature-dependent single crystal and powder X-ray diffraction measurements, optical microscopy, and differential scanning calorimetry. The low-temperature ferroelastic phase crystallizes in the orthorhombic crystal system (23 °C, Bmmb , Z  = 2, a  = 6.0699(6) Å, b  = 6.0165(6) Å, c  = 25.077(2) Å, 1487 structure factors, 41 parameter, R ( F 2 ) = 0.0346, wR ( F 2 ) = 0.0771) and changes its symmetry to the tetragonal crystal system into the high-temperature paraelastic phase (130 °C, I 4/ mmm , Z  = 1, a  = 4.2667(12) Å, c  = 25.388(7) Å, 430 structure factors, 303 parameter, R ( F 2 ) = 0.0575, wR ( F 2 ) = 0.1564). Group-subgroup relationships between the two structures and a hypothetical intermediate structure are presented.

Manufacturing a Porous Structure According to the Process Parameters of Functional 3D Porous Polymer Printing Technology Based on a Chemical Blowing Agent

NASA Astrophysics Data System (ADS)

Yoo, C. J.; Shin, B. S.; Kang, B. S.; Yun, D. H.; You, D. B.; Hong, S. M.

2017-09-01

In this paper, we propose a new porous polymer printing technology based on CBA(chemical blowing agent), and describe the optimization process according to the process parameters. By mixing polypropylene (PP) and CBA, a hybrid CBA filament was manufactured; the diameter of the filament ranged between 1.60 mm and 1.75 mm. A porous polymer structure was manufactured based on the traditional fused deposition modelling (FDM) method. The process parameters of the three-dimensional (3D) porous polymer printing (PPP) process included nozzle temperature, printing speed, and CBA density. Porosity increase with an increase in nozzle temperature and CBA density. On the contrary, porosity increase with a decrease in the printing speed. For porous structures, it has excellent mechanical properties. We manufactured a simple shape in 3D using 3D PPP technology. In the future, we will study the excellent mechanical properties of 3D PPP technology and apply them to various safety fields.

Hydrostatic pressure effects on the structural, elastic and thermodynamic properties of the complex transition metal hydrides A2OsH6 (A = Mg, Ca, Sr and Ba)

NASA Astrophysics Data System (ADS)

Souadia, Z.; Bouhemadou, A.; Boudrifa, O.; Bin-Omran, S.; Khenata, R.; Al-Douri, Y.

2017-10-01

We report a systematic first-principles density functional theory study on the pressure dependence of the structural parameters, elastic constants and related properties and thermodynamic properties of the complex transition metal hydrides Mg2OsH6, Ca2OsH6, Sr2OsH6 and Ba2OsH6. The calculated structural parameters are in excellent agreement with the existing data in the scientific literature. The single-crystal elastic constants and related properties were predicted using the stress-strain method. The elastic moduli of the polycrystalline aggregates were evaluated via the Voigt-Reuss-Hill approach. The dependences of the lattice parameter, bulk modulus, volume thermal expansion coefficient, isobaric and isochoric heat capacity and Debye temperature on the pressure and temperature, ranging from 0 to 15 GPa and from 0 to 1000 K, respectively, were investigated using the quasi-harmonic Debye model in combination with first-principles calculations.

Impact of structure and morphology of nanostructured ceria coating on AISI 304 oxidation kinetics

NASA Astrophysics Data System (ADS)

Aadhavan, R.; Suresh Babu, K.

2017-07-01

Nanostructured ceria-based coatings are shown to be protective against high-temperature oxidation of AISI 304 due to the dynamics of oxidation state and associated defects. However, the processing parameters of deposition have a strong influence in determining the structural and morphological aspects of ceria. The present work focuses on the effect of variation in substrate temperature (50-300 °C) and deposition rate (0.1-50 Å/s) of ceria in electron beam physical vapour evaporation method and correlates the changes in structure and morphology to high-temperature oxidation protection. Unlike deposition rate, substrate temperature exhibited a profound influence on crystallite size (7-18 nm) and oxygen vacancy concentration. Upon isothermal oxidation at 1243 K for 24 h, bare AISI 304 exhibited a linear mass gain with a rate constant of 3.0 ± 0.03 × 10-3 kg2 m-4 s-1 while ceria coating lowered the kinetics by 3-4 orders. Though the thickness of the coating was kept constant at 2 μm, higher deposition rate offered one order lower protection due to the porous nature of the coating. Variation in the substrate temperature modulated the porosity as well as oxygen vacancy concentration and displayed the best protection for coatings deposited at moderate substrate temperature. The present work demonstrates the significance of selecting appropriate processing parameters to obtain the required morphology for efficient high-temperature oxidation protection.

Synchrotron Powder X-ray Diffraction Study of the Structure and Dehydration Behavior of Sepiolite

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

Post,J.; Bish, D.; Heaney, P.

2007-01-01

Rietveld refinements using synchrotron powder X-ray diffraction data were used to study the crystal structure and dehydration behavior of sepiolite from Durango, Mexico. The room-temperature (RT) sepiolite structure in air compares well with previous models but reveals an additional zeolitic H{sub 2}O site. The RT structure under vacuum retained only {approx}1/8 of the zeolitic H{sub 2}O and the volume decreased by 1.3%. Real-time, temperature-resolved synchrotron powder X-ray diffraction data and Rietveld refinements were used to investigate the behavior of the sepiolite structure from 300 to 925 K. Rietveld refinements revealed that most of the zeolitic H{sub 2}O is lost bymore » {approx}390 K, accompanied by a decrease in the a and c unit-cell parameters. Above {approx}600 K the sepiolite structure folds as one-half of the crystallographically bound H{sub 2}O is lost. Rietveld refinements of the 'anhydrous' sepiolite structure reveal that, in general, unit-cell parameters a and b and volume steadily decrease with increasing temperature; there is an obvious change in slope at {approx}820 K suggesting a phase transformation coinciding with the loss of the remaining bound H{sub 2}O molecule.« less

Assessment of the Thermodynamic Properties of DL-p-Mentha-1,8-diene, 4-Isopropyl-1-Methylcyclohexene (DL-limonene) by Inverse Gas Chromatography (IGC).

PubMed

Farshchi, Negin; Abbasian, Ali; Larijani, Kambiz

2018-05-10

Limonene is a colorless liquid hydrocarbon and had been investigated as a plasticizer for many plastics. Prediction of solubility between different materials is an advantage in many ways, one of the most convenient ways to know the compatibility of materials is to determine the degree of solubility of them in each other. The concept of "solubility parameter" can help practitioners in this way.In this study, inverse gas chromatography (IGC) method at infinite dilution was used for determination of the thermodynamic properties of DL-p-mentha-1,8-diene, 4-Isopropyl-1-methylcyclohexene (DL-limonene). The interaction between DL-limonene and 13 solvents were examined in the temperature range of 63-123°C through the assessment of the thermodynamic sorption parameters, the parameters of mixing at infinite dilution, the weight fraction activity coefficient and the Flory-Huggins interaction parameters. Additionally, the solubility parameter for DL-limonene and the temperature dependence of these parameters was investigated as well.Results show that there is a temperature dependence in solubility parameter, which increases by decreasing temperature. However, there were no specific dependence between interaction parameters and temperature, but chemical structure appeared to have a significant effect on them as well as on the type and strength of intermolecular interactions between DL-limonene and investigated solvents. The solubility parameter δ2 of DL-limonene determined to be 19.20 (J/cm3)0.5 at 25°C.

The Effect of Internal Gravity Waves on Fluctuations in Meteorological Parameters of the Atmospheric Boundary Layer

NASA Astrophysics Data System (ADS)

Zaitseva, D. V.; Kallistratova, M. A.; Lyulyukin, V. S.; Kouznetsov, R. D.; Kuznetsov, D. D.

2018-03-01

Variations in the intensity of turbulence during wave activity in the stable atmospheric boundary layer over a homogeneous steppe surface have been analyzed. Eight wave activity episodes recorded with a Doppler sodar in August 2015 at the Tsimlyansk Scientific Station of the Obukhov Institute of Atmospheric Physics have been studied. These episodes include seven trains of Kelvin-Helmholtz waves and one train of buoyancy waves. Variations in the rms deviation of the vertical wind-velocity component, the temperature structure parameter, and vertical heat and momentum fluxes have been estimated for each episode of wave activity. It has been found that Kelvin-Helmholtz waves slightly affect the intensity of turbulence, while buoyancy waves cause the temperature structure parameter and the vertical fluxes to increase by more than an order of magnitude.

Temperature evolution of the structural properties of monodomain ferroelectric thin film

NASA Astrophysics Data System (ADS)

Janolin, Pierre-Eymeric; Le Marrec, Françoise; Chevreul, Jacques; Dkhil, Brahim

2007-05-01

The structural evolution of epitaxial monodomain (only 180° domains) ferroelectric PbTiO3 thin film has been investigated, using high-resolution, temperature-dependent, x-ray diffraction. The full set of lattice parameters was obtained from room temperature up to 850K. It allowed the calculation of the different strains stored in the film at room temperature, underlying the difference between the mechanical strain and the misfit strain. The evolution of the misfit strain as a function of temperature was also calculated and was found to be consistent with the theoretical temperature-misfit strain phase diagram. These data strongly suggest that the film remains ferroelectric and tetragonal up to 940K.

Structural, vibrational and magnetic studies of Pb(Fe0.585Nb0.25W0.165)O3 multiferroic solid solution

NASA Astrophysics Data System (ADS)

Nagaraja, T.; Dadami, Sunanda T.; Matteppanvar, Shidaling; Shivaraja, I.; Rayaprol, Sudhindra; Angadi, Basavaraj

2018-04-01

In this paper, the complex structured A(B'B''B''')O3 perovskite Pb(Fe0.585Nb0.25W0.165)O3(PFNW) type multiferroic, was successfully synthesized in a single phase by a single step solid state reaction method and optimized synthesis parameters are calcination at 700 °C/2hr and sintering at 800 °C/3hr. The detailed room temperature (RT) structural, vibrational and temperature dependent magnetization were carried out through the X ray diffraction, Raman spectroscopy and vibrating sample magnetometer (VSM). Rietveld refinement was carried out on RT XRD data it confirms the cubic structure with Pm-3m space group, the obtained lattice parameters: a = b = c = 3.9948 Å, and α = β = γ = 90°. The RT Raman spectroscopy confirms the formation of cubic structure broad peak at 820 cm-1, related to the A1g mode. PFNW exhibits a cusp at around 255 K in the temperature dependent magnetic susceptibility corresponding to the Néel temperature (TN) and another peak around 10 K (Tsg) corresponding to spin-glass like transition. The M-H loops were measured at few selected temperatures above and below TN. The M-H loop at 5 K shows the well saturated loop with significant coercive field compared to 260 and 300K data, due to the existence of spin-glass ordering.

Temperature dependence of positron annihilation parameters in Tl-Ba-Ca-Cu-O superconductors

NASA Astrophysics Data System (ADS)

Sundar, C. S.; Bharathi, A.; Ching, W. Y.; Jean, Y. C.; Hor, P. H.; Meng, R. L.; Huang, Z. J.; Chu, C. W.

1990-08-01

The results of positron lifetime and Doppler broadened line-shape parameter measurements as a function of temperature, across Tc, in the Tl-Ba-Ca-Cu-O superconductors are presented. The bulk lifetime in the normal state is found to decrease with the increase in the number of CuO2 layers. Different temperature dependencies of the annihilation parameters are observed in the various Tl systems containing different numbers of CuO2 layers. In the Tl2Ba2Ca2Cu3O10 system, an increase in lifetime is observed below Tc, whereas in Tl2Ba2CaCu2O8, a decrease in lifetime is seen below Tc. In the Tl2Ba2CuO6 system, the lifetime is observed to be temperature independent. The different temperature variations of positron annihilation parameters are discussed in the light of the positron density distribution, obtained with use of the results of the self-consistent orthogonalized linear combination of atomic orbitals band-structure calculations. It is argued that the different temperature dependencies of the annihilation parameters is related to the positron density distribution within the unit cell and arise due to local charge transfer in the vicinity of the CuO2 layer in the superconducting state.

Structural properties of zirconia - in-situ high temperature XRD characterization

NASA Astrophysics Data System (ADS)

Kurpaska, Lukasz

2018-07-01

In this work, the effect of high temperature on structural properties of pure zirconium have been investigated. In-situ X-ray diffraction analysis of the oxide layer formed at temperature window 25-600 °C on pure zirconium were performed. Conducted experiment aimed at investigation of the zirconia phases developed on surface of the metallic substrate. Based on the conducted studies, possible stress state (during heating, continuous oxidation and cooling), cell parameters and HWHM factor were analyzed. A tetragonal and monoclinic phases peak shifts and intensities change were observed, suggesting that different phases react in different way upon temperature effect.

Temperature-induced band shift in bulk γ-InSe by angle-resolved photoemission spectroscopy

NASA Astrophysics Data System (ADS)

Xu, Huanfeng; Wang, Wei; Zhao, Yafei; Zhang, Xiaoqian; Feng, Yue; Tu, Jian; Gu, Chenyi; Sun, Yizhe; Liu, Chang; Nie, Yuefeng; Edmond Turcu, Ion C.; Xu, Yongbing; He, Liang

2018-05-01

Indium selenide (InSe) has recently become popular research topics because of its unique layered crystal structure, direct band gap and high electron mobilities. In this work, we have acquired the electronic structure of bulk γ-InSe at various temperatures using angle-resolved photoemission spectroscopy (ARPES). We have also found that as the temperature decreases, the valence bands of γ-InSe exhibit a monotonic shift to lower binding energies. This band shift is attributed to the change of lattice parameters and has been validated by variable temperature X-ray diffraction measurements and theoretical calculations.

Temperature characteristics of silicon avalanche photodiodes

NASA Astrophysics Data System (ADS)

Wegrzecka, Iwona; Grynglas, Maria; Wegrzecki, Maciej; Bar, Jan; Grodecki, Remigiusz

2001-08-01

The paper presents the results of studies on temperature dependence of such parameters as a dark current, noise current, gain, noise equivalent power and detectivity of silicon epiplanar avalanche photodiodes at the ITE. The photodiode reach-through structure is of an nPLU-p-(pi) - p+ type with an under-contact ring and a channel stopper. The temperature range was stretching from -40 C to +40 C. Specially developed for this purpose an automatic system for low noise measurements was used. A two- stage micro-cooler with a Peltier's element was applied to control and stabilize the temperature of measured structures.

Structure of Bacillus halmapalus α-amylase crystallized with and without the substrate analogue acarbose and maltose

PubMed Central

Lyhne-Iversen, Louise; Hobley, Timothy J.; Kaasgaard, Svend G.; Harris, Pernille

2006-01-01

Recombinant Bacillus halmapalus α-amylase (BHA) was studied in two different crystal forms. The first crystal form was obtained by crystallization of BHA at room temperature in the presence of acarbose and maltose; data were collected at cryogenic temperature to a resolution of 1.9 Å. It was found that the crystal belonged to space group P212121, with unit-cell parameters a = 47.0, b = 73.5, c = 151.1 Å. A maltose molecule was observed and found to bind to BHA and previous reports of the binding of a nonasaccharide were confirmed. The second crystal form was obtained by pH-induced crystallization of BHA in a MES–HEPES–boric acid buffer (MHB buffer) at 303 K; the solubility of BHA in MHB has a retrograde temperature dependency and crystallization of BHA was only possible by raising the temperature to at least 298 K. Data were collected at cryogenic temperature to a resolution of 2.0 Å. The crystal belonged to space group P212121, with unit-cell parameters a = 38.6, b = 59.0, c = 209.8 Å. The structure was solved using molecular replacement. The maltose-binding site is described and the two structures are compared. No significant changes were seen in the structure upon binding of the substrates. PMID:16946462

Comparison between 1-minute and 15-minute averages of turbulence parameters

NASA Technical Reports Server (NTRS)

Noble, John M.

1993-01-01

Sonic anemometers are good instruments for measuring temperature and wind speed and are fast enough to calculate the temperature and wind structure parameters used to calculate the variance in the acoustic index of refraction. However, the turbulence parameters are typically 15-minute averaged point measurements. There are several problems associated with making point measurements and using them to represent a turbulence field. Some of the sonic anemometer data analyzed from the Joint Acoustic Propagation Experiment (JAPE) conducted during July 1991 at DIRT Site located at White Sands Missile Range, New Mexico, are examined.

The coronal structure of active regions

NASA Technical Reports Server (NTRS)

Landini, M.; Monsignori Fossi, B. C.; Krieger, A.; Vaiana, G. S.

1975-01-01

A four-parameter model, which assumes a Gaussian dependence of both temperature and pressure on distance from center, is used to fit the compact part of coronal active regions as observed in X-ray photographs from a rocket experiment. The four parameters are the maximum temperature, the maximum pressure, the width of the pressure distribution, and the width of the temperature distribution. The maximum temperature ranges from 2.2 to 2.8 million K, and the maximum density from 2 to 9 by 10 to the 9th power per cu cm. The range of the pressure-distribution width is from 2 to 4 by 10 to the 9th power cm and that of the temperature-distribution width from 2 to 7.

Evaluation of the Molecular Structural Parameters of Normal Rice Starch and Their Relationships with Its Thermal and Digestion Properties.

PubMed

Lin, Lingshang; Zhang, Qing; Zhang, Long; Wei, Cunxu

2017-09-12

The molecular structural parameters of six normal rice starches with different amylose contents were investigated through their iodine absorption spectra and gel permeation chromatography of fully branched and debranched starches. The thermal and digestion properties of starches were also determined and their relationships with molecular structural parameters were analyzed. Results showed that the molecular structural parameters of maximum absorption wavelength, blue value (BV), optical density 620 nm/550 nm (OD 620/550), amylose, intermediate component, and amylopectin, including its short branch-chains, long branch-chains, and branching degree, had high correlation in different determining methods. The intermediate component of starch was significantly positively related to amylose and negatively related to amylopectin, and the amylopectin branching degree was significantly positively related to amylopectin content and negatively related to amylose content. The gelatinization temperatures and enthalpy of native starch were significantly positively related to BV, OD 620/550, and amylose content and negatively related to amylopectin short branch-chains. The gelatinization temperatures and enthalpy of retrograded starch were significantly negatively related to amylopectin branching degree. The digestions of gelatinized and retrograded starches were significantly negatively related to the BV, OD 620/550, amylose, and intermediate component and positively related to amylopectin and its short branch-chains and branching degree.

Urea-temperature phase diagrams capture the thermodynamics of denatured state expansion that accompany protein unfolding.

PubMed

Tischer, Alexander; Auton, Matthew

2013-09-01

We have analyzed the thermodynamic properties of the von Willebrand factor (VWF) A3 domain using urea-induced unfolding at variable temperature and thermal unfolding at variable urea concentrations to generate a phase diagram that quantitatively describes the equilibrium between native and denatured states. From this analysis, we were able to determine consistent thermodynamic parameters with various spectroscopic and calorimetric methods that define the urea-temperature parameter plane from cold denaturation to heat denaturation. Urea and thermal denaturation are experimentally reversible and independent of the thermal scan rate indicating that all transitions are at equilibrium and the van't Hoff and calorimetric enthalpies obtained from analysis of individual thermal transitions are equivalent demonstrating two-state character. Global analysis of the urea-temperature phase diagram results in a significantly higher enthalpy of unfolding than obtained from analysis of individual thermal transitions and significant cross correlations describing the urea dependence of ΔH0 and ΔCP0 that define a complex temperature dependence of the m-value. Circular dichroism (CD) spectroscopy illustrates a large increase in secondary structure content of the urea-denatured state as temperature increases and a loss of secondary structure in the thermally denatured state upon addition of urea. These structural changes in the denatured ensemble make up ∼40% of the total ellipticity change indicating a highly compact thermally denatured state. The difference between the thermodynamic parameters obtained from phase diagram analysis and those obtained from analysis of individual thermal transitions illustrates that phase diagrams capture both contributions to unfolding and denatured state expansion and by comparison are able to decipher these contributions. © 2013 The Protein Society.

Swarm intelligence application for optimization of CO2 diffusivity in polystyrene-b-polybutadiene-b-polystyrene (SEBS) foaming

NASA Astrophysics Data System (ADS)

Sharudin, Rahida Wati; Ajib, Norshawalina Muhamad; Yusoff, Marina; Ahmad, Mohd Aizad

2017-12-01

Thermoplastic elastomer SEBS foams were prepared by using carbon dioxide (CO2) as a blowing agent and the process is classified as physical foaming method. During the foaming process, the diffusivity of CO2 need to be controlled since it is one of the parameter that will affect the final cellular structure of the foam. Conventionally, the rate of CO2 diffusion was measured experimentally by using a highly sensitive device called magnetic suspension balance (MSB). Besides, this expensive MSB machine is not easily available and measurement of CO2 diffusivity is quite complicated as well as time consuming process. Thus, to overcome these limitations, a computational method was introduced. Particle Swarm Optimization (PSO) is a part of Swarm Intelligence system which acts as a beneficial optimization tool where it can solve most of nonlinear complications. PSO model was developed for predicting the optimum foaming temperature and CO2 diffusion rate in SEBS foam. Results obtained by PSO model are compared with experimental results for CO2 diffusivity at various foaming temperature. It is shown that predicted optimum foaming temperature at 154.6 °C was not represented the best temperature for foaming as the cellular structure of SEBS foamed at corresponding temperature consisted pores with unstable dimension and the structure was not visibly perceived due to foam shrinkage. The predictions were not agreed well with experimental result when single parameter of CO2 diffusivity is considered in PSO model because it is not the only factor that affected the controllability of foam shrinkage. The modification on the PSO model by considering CO2 solubility and rigidity of SEBS as additional parameters needs to be done for obtaining the optimum temperature for SEBS foaming. Hence stable SEBS foam could be prepared.

Impact of process parameters on the structural and electrical properties of metal/PZT/Al2O3/silicon gate stack for non-volatile memory applications

NASA Astrophysics Data System (ADS)

Singh, Prashant; Jha, Rajesh Kumar; Singh, Rajat Kumar; Singh, B. R.

2018-02-01

In this paper, we present the structural and electrical properties of the Al2O3 buffer layer on non-volatile memory behavior using Metal/PZT/Al2O3/Silicon structures. Metal/PZT/Silicon and Metal/Al2O3/Silicon structures were also fabricated and characterized to obtain capacitance and leakage current parameters. Lead zirconate titanate (PZT::35:65) and Al2O3 films were deposited by sputtering on the silicon substrate. Memory window, PUND, endurance, breakdown voltage, effective charges, flat-band voltage and leakage current density parameters were measured and the effects of process parameters on the structural and electrical characteristics were investigated. X-ray data show dominant (110) tetragonal phase of the PZT film, which crystallizes at 500 °C. The sputtered Al2O3 film annealed at different temperatures show dominant (312) orientation and amorphous nature at 425 °C. Multiple angle laser ellipsometric analysis reveals the temperature dependence of PZT film refractive index and extinction coefficient. Electrical characterization shows the maximum memory window of 3.9 V and breakdown voltage of 25 V for the Metal/Ferroelectric/Silicon (MFeS) structures annealed at 500 °C. With 10 nm Al2O3 layer in the Metal/Ferroelectric/Insulator/Silicon (MFeIS) structure, the memory window and breakdown voltage was improved to 7.21 and 35 V, respectively. Such structures show high endurance with no significant reduction polarization charge for upto 2.2 × 109 iteration cycles.

Structure and magnetic properties of ScFe 10Si 2

NASA Astrophysics Data System (ADS)

Bodak, O. I.; Stȩpień-Damm, J.; Drulis, H.; Kotur, B.; Suski, W.; Vagizov, F. G.; Wochowski, K.; Mydlarz, T.

1995-02-01

ScFe 10Si 2 crystallizes in the ThMn 12-type tetragonal structure with the space group I4/mmm and the lattice parameters: a = 0.8280 (1) nm, c = 0.4706 (1) nm and c/ a = 0.57. In the refinement performed for 317 independent reflections and 10 variable parameters, a final discrepancy factor R = 4.69% has been reached. The compound is ferromagnetic below 506 K ( 57Fe ME) and 560 K (magnetic). The distribution of the Fe atoms in the 8( i), 8( j) and 8( f) positions corresponds to 40, 31 and 29%, respectively. The Debye temperature determined from the temperature dependence of the isomer shift is 340 K.

Evaluation of Heating Methods for Thermal Structural Testing of Large Structures

NASA Technical Reports Server (NTRS)

Daryabeigi, Kamran; Sikora, Joseph G.; Caldwell, Darrell L., Jr.

1998-01-01

An experimental study was conducted to evaluate different heating methods for thermal structural testing of large scale structures at temperatures up to 350 F as part of the High Speed Research program. The heating techniques evaluated included: radiative/convective, forced convective, and conductive. The radiative/convective heaters included finned strip heaters, and clear and frosted quartz lamps. The forced convective heating was accomplished by closed loop circulation of heated air. The conductive heater consisted of heating blankets. The tests were conducted on an 1/8 inch thick stainless steel plate in a custom-built oven. The criteria used for comparing the different heating methods included test specimen temperature uniformity, heater response time, and consumed power. The parameters investigated included air circulation in the oven, reflectance of oven walls, and the orientation of the test specimen and heaters (vertical and horizontal). It was found that reflectance of oven walls was not an important parameter. Air circulation was necessary to obtain uniform temperatures only for the vertically oriented specimen. Heating blankets provided unacceptably high temperature non-uniformities. Quartz lamps with internal air circulation had the lowest power consumption levels. Using frosted quartz lamps with closed loop circulation of cool air, and closed loop circulation of heated air provided the fastest response time.

Thermal transport properties of bulk and monolayer MoS2: an ab-initio approach

NASA Astrophysics Data System (ADS)

Bano, Amreen; Khare, Preeti; Gaur, N. K.

2017-05-01

The transport properties of semiconductors are key to the performance of many solid-state devices (transistors, data storage, thermoelectric cooling and power generation devices, etc). In recent years simulation tools based on first-principles calculations have been greatly improved, being able to obtain the fundamental ground-state properties of materials accurately. The quasi harmonic thermal properties of bulk and monolayer of MoS2 has been computed with ab initio periodic simulations based of density functional theory (DFT). The temperature dependence of bulk modulus, specific heat, thermal expansion and gruneisen parameter have been calculated in our work within the temperature range of 0K to 900K with projected augmented wave (PAW) method using generalized gradient approximation (GGA). Our results show that the optimized lattice parameters are in good agreement with the earlier reported works and also for thermoelastic parameter, i.e. isothermal bulk modulus (B) at 0K indicates that monolayer MoS2 (48.5 GPa)is more compressible than the bulk structure (159.23 GPa). The thermal expansion of monolayer structure is slightly less than the bulk. Similarly, other parameters like heat capacity and gruneisen parameter shows different nature which is due to the confinement of 3 dimensional structure to 2 dimension (2D) for improving its transport characteristics.

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

Xiong, L. H.; Wang, X. D.; Yu, Q.

Temperature-dependent atomistic structure evolution of liquid gallium (Ga) has been investigated by using in situ high energy X-ray diffraction experiment and ab initio molecular dynamics simulation. Both experimental and theoretical results reveal the existence of a liquid structural change around 1000 K in liquid Ga. Below and above this temperature the liquid exhibits differences in activation energy for selfdiffusion, temperature-dependent heat capacity, coordination numbers, density, viscosity, electric resistivity and thermoelectric power, which are reflected from structural changes of the bond-orientational order parameter Q6, fraction of covalent dimers, averaged string length and local atomic packing. This finding will trigger more studiesmore » on the liquid-to-liquid crossover in metallic melts.« less

A physical parameter method for the design of broad-band X-ray imaging systems to do coronal plasma diagnostics

NASA Technical Reports Server (NTRS)

Kahler, S.; Krieger, A. S.

1978-01-01

The technique commonly used for the analysis of data from broad-band X-ray imaging systems for plasma diagnostics is the filter ratio method. This requires the use of two or more broad-band filters to derive temperatures and line-of-sight emission integrals or emission measure distributions as a function of temperature. Here an alternative analytical approach is proposed in which the temperature response of the imaging system is matched to the physical parameter being investigated. The temperature response of a system designed to measure the total radiated power along the line of sight of any coronal structure is calculated. Other examples are discussed.

Analysis of intelligent hinged shell structures: deployable deformation and shape memory effect

NASA Astrophysics Data System (ADS)

Shi, Guang-Hui; Yang, Qing-Sheng; He, X. Q.

2013-12-01

Shape memory polymers (SMPs) are a class of intelligent materials with the ability to recover their initial shape from a temporarily fixable state when subjected to external stimuli. In this work, the thermo-mechanical behavior of a deployable SMP-based hinged structure is modeled by the finite element method using a 3D constitutive model with shape memory effect. The influences of hinge structure parameters on the nonlinear loading process are investigated. The total shape memory of the processes the hinged structure goes through, including loading at high temperature, decreasing temperature with load carrying, unloading at low temperature and recovering the initial shape with increasing temperature, are illustrated. Numerical results show that the present constitutive theory and the finite element method can effectively predict the complicated thermo-mechanical deformation behavior and shape memory effect of SMP-based hinged shell structures.

Structural features of single crystals of LuB{sub 12} upon a transition to the cage-glass phase

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

Bolotina, N. B., E-mail: nb-bolotina@mail.ru; Verin, I. A.; Shitsevalova, N. Yu.

2016-03-15

The unit-cell parameters of dodecaboride LuB{sub 12}, which undergoes a transition to the cage-glass phase, have been determined for the first time in the temperature range of 50–75 K by X-ray diffraction, and the single-crystal structure of this compound is established at 50 K. Nonlinear changes in the unit-cell parameters correspond to anomalies in the physical properties near the glass-transition temperature T* ~ 50–70 K. This compound has cubic symmetry at room temperature, and it is reduced to tetragonal symmetry at lower temperatures. Based on the X-ray diffraction data and relying on the physical properties of the crystals, the structuremore » model, in which a small part (~15%) of Lu atoms are displaced from the 2a sites at the centers of the B{sub 24} cuboctahedra to the 16n sites of sp. gr. I4/mmm, seems preferable.« less

Phase Transformation and Lattice Parameter Changes of Non-trivalent Rare Earth-Doped YSZ as a Function of Temperature

NASA Astrophysics Data System (ADS)

Jiang, Shengli; Huang, Xiao; He, Zhang; Buyers, Andrew

2018-01-01

To examine the effect of doping/co-doping on high-temperature phase compositions of YSZ, stand-alone YSZ and CeO2 and Nb2O5 co-doped YSZ samples were prepared using mechanical alloy and high-temperature sintering. XRD analysis was performed on these samples from room temperature to 1100 °C. The results show that the structure for the co-doped samples tends to be thermally stable when the test temperature is higher than a critical value. Monoclinic phase was dominant in Nb2O5 co-doped YSZ at temperatures lower than 600 °C, while for the YSZ and CeO2 co-doped YSZ, cubic/tetragonal phase was dominant in the whole test temperature range. The lattice parameters for all the samples increase with increasing test temperature generally. The lattice parameters for the two non-trivalent rare earth oxides co-doped YSZ show that the lattice parameter a for the cubic phase of the Ce4+ co-doped YSZ is consistently greater than that of 7YSZ which is related to the presence of larger radius of Ce4+ in the matrix. The lattice parameters a, b, c for the monoclinic phase of Ce4+ co-doped YSZ are much closer to each other than that of the Nb5+ co-doped YSZ, indicating the former has better tendency to form cubic/tetragonal phase, which is desired for vast engineering applications.

Phase Transformation and Lattice Parameter Changes of Non-trivalent Rare Earth-Doped YSZ as a Function of Temperature

NASA Astrophysics Data System (ADS)

Jiang, Shengli; Huang, Xiao; He, Zhang; Buyers, Andrew

2018-05-01

To examine the effect of doping/co-doping on high-temperature phase compositions of YSZ, stand-alone YSZ and CeO2 and Nb2O5 co-doped YSZ samples were prepared using mechanical alloy and high-temperature sintering. XRD analysis was performed on these samples from room temperature to 1100 °C. The results show that the structure for the co-doped samples tends to be thermally stable when the test temperature is higher than a critical value. Monoclinic phase was dominant in Nb2O5 co-doped YSZ at temperatures lower than 600 °C, while for the YSZ and CeO2 co-doped YSZ, cubic/tetragonal phase was dominant in the whole test temperature range. The lattice parameters for all the samples increase with increasing test temperature generally. The lattice parameters for the two non-trivalent rare earth oxides co-doped YSZ show that the lattice parameter a for the cubic phase of the Ce4+ co-doped YSZ is consistently greater than that of 7YSZ which is related to the presence of larger radius of Ce4+ in the matrix. The lattice parameters a, b, c for the monoclinic phase of Ce4+ co-doped YSZ are much closer to each other than that of the Nb5+ co-doped YSZ, indicating the former has better tendency to form cubic/tetragonal phase, which is desired for vast engineering applications.

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

EL-Shamy, E. F., E-mail: emadel-shamy@hotmail.com; Department of Physics, College of Science, King Khalid University, P.O. 9004, Abha; Al-Asbali, A. M., E-mail: aliaa-ma@hotmail.com

A theoretical investigation is carried out to study the propagation and the head-on collision of dust-acoustic (DA) shock waves in a strongly coupled dusty plasma consisting of negative dust fluid, Maxwellian distributed electrons and ions. Applying the extended Poincaré–Lighthill–Kuo method, a couple of Korteweg–deVries–Burgers equations for describing DA shock waves are derived. This study is a first attempt to deduce the analytical phase shifts of DA shock waves after collision. The impacts of physical parameters such as the kinematic viscosity, the unperturbed electron-to-dust density ratio, parameter determining the effect of polarization force, the ion-to-electron temperature ratio, and the effective dustmore » temperature-to-ion temperature ratio on the structure and the collision of DA shock waves are examined. In addition, the results reveal the increase of the strength and the steepness of DA shock waves as the above mentioned parameters increase, which in turn leads to the increase of the phase shifts of DA shock waves after collision. The present model may be useful to describe the structure and the collision of DA shock waves in space and laboratory dusty plasmas.« less

Effect of sol temperature on structural, morphological and magnetic properties of PZT thin films on alumina substrate

NASA Astrophysics Data System (ADS)

Sreelalitha, K.; Thyagarajan, K.

2016-01-01

In the present study, we investigate the structural, morphological and magnetic properties of sol-gel spin-coated PZT thin films on alumina substrate. The morphotropic phase boundary (MPB) of PZT [Pb (Zr1-xTix)03] between the tetragonal and rhombohedral phases occurs at the Zr/Ti ratio of 52/48. At the MPB the physical properties of PZT are of far-reaching importance due to their possible crystalline phases. In this study Pb(Zr0.52Ti0.48)03 sols are prepared at room temperature and at 125 °C. The gels are coated onto alumina substrate using a spin-coating unit as two and three layers. The structural studies using XRD confirm the perovskite phase formation at an annealing temperature of 660 °C for both films. The structural parameter grain size, dislocation density, lattice parameters and strain were dependent on the sol temperature. The SEM morphology of the samples represents well-developed dense grain structure and thickness in micrometer ranges. The VSM analysis shows diamagnetic and ferromagnetic hysteresis loop. The ferromagnetism at low fields in PZT films is confirmed by studying the magnetic properties of powder made of the same gel. The effect of heat treatment on the gel preparation is observed on structural, morphological and magnetic properties of PZT thin films. The ferromagnetism in PZT can be attributed to oxygen vacancies. The squareness ratio of the films shows the application of the films as a high-density recording medium.

Thermal design of composite materials high temperature attachments

NASA Technical Reports Server (NTRS)

1972-01-01

The thermal aspects of using filamentary composite materials as primary airframe structures on advanced atmospheric entry spacecraft such as the space shuttle vehicle were investigated to identify and evaluate potential design approaches for maintaining composite structures within allowable temperature limits at thermal protection system (TPS) attachments and/or penetrations. The investigation included: (1) definition of thermophysical data for composite material structures; (2) parametric characterization and identification of the influence of the aerodynamic heating and attachment design parameters on composite material temperatures; (3) conceptual design, evaluation, and detailed thermal analyses of temperature limiting design concepts; and (4) the development of experimental data for assessment of the thermal design methodologies and data used for evaluation of the temperature-limiting design concepts. Temperature suppression attachment concepts were examined for relative merit. The simple isolator was identified as the most weight-effective concept and was selected for detail design, thermal analysis, and testing. Tests were performed on TPS standoff attachments to boron/aluminum, boron/polyimide and graphite/epoxy composite structures.

Spin dynamics in the stripe-ordered buckled honeycomb lattice antiferromagnet Ba 2 NiTeO 6

DOE PAGES

Asai, Shinichiro; Soda, Minoru; Kasatani, Kazuhiro; ...

2017-09-01

We carried out inelastic neutron scattering experiments on a buckled honeycomb lattice antiferromagnet Ba 2NiTeO 6 exhibiting a stripe structure at a low temperature. Magnetic excitations are observed in the energy range of ℏω≲10 meV having an anisotropy gap of 2 meV at 2 K. We perform spin-wave calculations to identify the spin model. The obtained microscopic parameters are consistent with the location of the stripe structure in the classical phase diagram. Furthermore, the Weiss temperature independently estimated from a bulk magnetic susceptibility is consistent with the microscopic parameters. The results reveal that a competition between the nearest-neighbor and next-nearest-neighbormore » interactions that together with a relatively large single-ion magnetic anisotropy stabilize the stripe magnetic structure.« less

Compensation behaviors and magnetic properties in a cylindrical ferrimagnetic nanotube with core-shell structure: A Monte Carlo study

NASA Astrophysics Data System (ADS)

Wang, Wei; Liu, Ying; Gao, Zhong-yue; Zhao, Xue-ru; Yang, Yi; Yang, Sen

2018-07-01

Compensation temperature Tcomp and transition temperature TC have significant applications for the experimental realization of magnetic nanotube structure in the field of thermal magnetic recording. In this work, we use the Monte Carlo simulation to investigate the phase diagrams, magnetizations, susceptibilities, internal energies, specific heats and hysteresis behaviors of a cylindrical ferrimagnetic nanotube with core-shell structure. The effects of the single-ion anisotropies (DC, DS) and the exchange couplings (Jint, JS) on the magnetic and thermodynamic properties of the system are examined. A number of characteristic behaviors are discovered in the thermal variations, depending on different physical parameters. In particular, the triple hysteresis loops behavior has been found for appropriate physical parameters. These findings are qualitatively in good agreement with related experimental and the other theoretical results.

Spin dynamics in the stripe-ordered buckled honeycomb lattice antiferromagnet Ba 2 NiTeO 6

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

Asai, Shinichiro; Soda, Minoru; Kasatani, Kazuhiro

We carried out inelastic neutron scattering experiments on a buckled honeycomb lattice antiferromagnet Ba 2NiTeO 6 exhibiting a stripe structure at a low temperature. Magnetic excitations are observed in the energy range of ℏω≲10 meV having an anisotropy gap of 2 meV at 2 K. We perform spin-wave calculations to identify the spin model. The obtained microscopic parameters are consistent with the location of the stripe structure in the classical phase diagram. Furthermore, the Weiss temperature independently estimated from a bulk magnetic susceptibility is consistent with the microscopic parameters. The results reveal that a competition between the nearest-neighbor and next-nearest-neighbormore » interactions that together with a relatively large single-ion magnetic anisotropy stabilize the stripe magnetic structure.« less

Dusty plasma in a glow discharge in helium in temperature range of 5–300 K

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

Samoilov, I. S.; Baev, V. P.; Timofeev, A. V., E-mail: timofeevalvl@gmail.com

2017-03-15

Dusty plasma structures in glow discharge in helium in the temperature range of 5–300 K are investigated experimentally. We have described the experimental setup that makes it possible to continuously vary the temperature regime. The method for experimental data processing has been described. We have measured interparticle distances in the temperature range of 9–295 K and compared them with the Debye radius. We indicate the ranges of variations in experimental parameters in which plasma–dust structures are formed and various types of their behavior are manifested (rotation, vibrations of structures, formation of vertical linear chains, etc.). The applicability of the Yukawamore » potential to the description of the structural properties of a dusty plasma in the experimental conditions is discussed.« less

A novel solar bi-ejector refrigeration system and the performance of the added injector with different structures and operation parameters

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

Wang, Fei; Shen, Shengqiang

2009-12-15

A novel solar bi-ejector refrigeration system was investigated, whose difference compared to the traditional system is that the circulation pump is replaced by a thermal injector. The new system works more stably and needs less maintenance work than the old one, and the whole system can more fully utilize the solar energy. The mathematical models for calculating the performance of the injector and the whole solar refrigeration system were established. The pressure rise performance of injector under different structure and operation parameters and the performance of solar bi-ejector refrigeration system were studied with R123. The results show that the dischargedmore » pressure of injector is affected by structure dimensions of injector and operation conditions. With increasing generation temperature, the entrainment ratio of ejector becomes better while that of injector becomes worse and the overall thermal efficiency of the solar bi-ejector refrigeration system first increases and then decreases with an optimum value of 0.132 at generation temperature of 105 C, condensation temperature of 35 C and evaporation temperature of 10 C. (author)« less

Temperature dependence of photoluminescence peaks of porous silicon structures

NASA Astrophysics Data System (ADS)

Brunner, Róbert; Pinčík, Emil; Kučera, Michal; Greguš, Ján; Vojtek, Pavel; Zábudlá, Zuzana

2017-12-01

Evaluation of photoluminescence spectra of porous silicon (PS) samples prepared by electrochemical etching is presented. The samples were measured at temperatures 30, 70 and 150 K. Peak parameters (energy, intensity and width) were calculated. The PL spectrum was approximated by a set of Gaussian peaks. Their parameters were fixed using fitting a procedure in which the optimal number of peeks included into the model was estimated using the residuum of the approximation. The weak thermal dependence of the spectra indicates the strong influence of active defects.

Effect of growth parameters on the optical properties of ZnO nanostructures grown by simple solution methods

NASA Astrophysics Data System (ADS)

Kothari, Anjana

2017-05-01

ZnO, a wide band gap semiconductor is of significant interest for a range of practical applications. One of the highly attractive features of ZnO is to grow variety of nanostructures by using low-cost techniques. In this paper, we report deposition of ZnO nanostructure rod-arrays (NRA) via low-temperature, solution-based deposition techniques such as chemical bath deposition (CBD) and microwave-assisted chemical bath deposition (MACBD). A detailed study of film deposition parameters such as variation in concentration of precursors and deposition temperature has been carried out. Compositional and structural study of the films has been done by X-ray Diffractometer to know the phase and purity of the final product. Morphological study of these structures has been carried out by Scanning Electron Microscopy. Optical study such as transmittance and diffuse reflectance of the films has been carried out as a function of growth parameters.

Experimental and FDTD study of silicon surface morphology induced by femtosecond laser irradiation at a high substrate temperature.

PubMed

Deng, Guoliang; Feng, Guoying; Zhou, Shouhuan

2017-04-03

Substrate temperature is an important parameter for controlling the properties of femtosecond laser induced surface structures besides traditional ways. The morphology on silicon surface at different temperatures are studied experimentally. Compared to those formed at 300 K, smoother ripples, micro-grooves and nano/micro-holes are formed at 700 K. A two temperature model and FDTD method are used to discuss the temperature dependence of surface structures. The results show that the increased light absorption at elevated temperature leads to the reduction of surface roughness. The type-g feature in the FDTD-η map at 700 K, which corresponds to the energy deposition modulation parallel to the laser polarization with a periodicity bigger than the wavelength, is the origin of the formation of grooves. This work can benefit both surface structures based applications and the study of femtosecond laser-matter interactions.

EPR, optical and modeling of Mn(2+) doped sarcosinium oxalate monohydrate.

PubMed

Kripal, Ram; Singh, Manju

2015-01-25

Electron paramagnetic resonance (EPR) study of Mn(2+) ions doped in sarcosinium oxalate monohydrate (SOM) single crystal is done at liquid nitrogen temperature (LNT). EPR spectrum shows a bunch of five fine structure lines and further they split into six hyperfine components. Only one interstitial site was observed. With the help of EPR spectra the spin Hamiltonian parameters including zero field splitting (ZFS) parameters are evaluated. The optical absorption study at room temperature is also done in the wavelength range 195-1100 nm. From this study cubic crystal field splitting parameter, Dq=730 cm(-1) and Racah inter-electronic repulsion parameters B=792 cm(-1), C=2278 cm(-1) are determined. ZFS parameters D and E are also calculated using crystal field parameters from superposition model and microscopic spin Hamiltonian theory. The calculated ZFS parameter values are in good match with the experimental values obtained by EPR. Copyright © 2014 Elsevier B.V. All rights reserved.

Lattice thermal expansion and solubility limits of neodymium-doped ceria

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

Zhang, Jinhua, E-mail: jhzhang1212@126.com; State Key laboratory of Geological Process and Mineral Resources, China University of Geosciences, Wuhan 430074; Ke, Changming

2016-11-15

Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders were prepared by reverse coprecipitation-calcination method and characterized by XRD. The crystal structure of product powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value. An empirical equation simulating the lattice parameter of neodymium doped ceria was established based on the experimental data. The lattice parameters of the fluorite structure solid solutions increased with extensive adoption of Nd{sup 3+}, and the heating temperature going up. The average thermal expansion coefficients of neodymium doped ceria with fluorite structure are highermore » than 13.5×10{sup −6} °C{sup −1} from room temperature to 1200 °C. - Graphical abstract: The crystal structure of Nd{sub x}Ce{sub 1−x}O{sub 2−0.5x} (x=0–1.0) powders transformed from single fluorite structure to the complex of fluorite and C-type cubic structure, and finally to trigonal structure with the increase of x-value.« less

Effect of temperature on the structural, linear, and nonlinear optical properties of MgO-doped graphene oxide nanocomposites

NASA Astrophysics Data System (ADS)

Kimiagar, Salimeh; Abrinaei, Fahimeh

2018-01-01

Magnesium oxide (MgO)-graphene oxide (GO) nanocomposites were prepared by the hydrothermal method at different temperatures. The effect of growth temperature on the structural, linear, and nonlinear optical (NLO) parameters was investigated. The decoration of MgO on GO sheets was confirmed by X-ray diffraction, scanning electron microscopy, Fourier transform infrared, and UV-visible (UV-vis) spectroscopy analyses. The energy band-gaps of MgO-GO nanocomposites were calculated from UV-vis spectrum using Tauc plot. The NLO parameters of MgO-GO nanocomposites were calculated for the first time by the simple Z-scan technique with nanosecond Nd:YAG laser at 532 nm. The nonlinear absorption coefficient β and nonlinear refractive index n2 for MgO-GO nanocomposites at the laser intensity of 1.1×108 W/cm2 were measured to be in the order of 10-7 cm/W and 10-12 cm2/W, respectively. The third-order NLO susceptibility of MgO-GO nanocomposites was measured in the order of 10-9 esu. The results showed that MgO-GO structures have negative nonlinearity as well as good nonlinear two-photon absorption at 532 nm. Furthermore, the NLO parameters increased by the enhancement of the growth temperature. As the investigation of new materials plays an important role in the advancement of optoelectronics, MgO-GO nanocomposites possess potential applications in NLO devices.

Probabilistic structural analysis of space propulsion system LOX post

NASA Technical Reports Server (NTRS)

Newell, J. F.; Rajagopal, K. R.; Ho, H. W.; Cunniff, J. M.

1990-01-01

The probabilistic structural analysis program NESSUS (Numerical Evaluation of Stochastic Structures Under Stress; Cruse et al., 1988) is applied to characterize the dynamic loading and response of the Space Shuttle main engine (SSME) LOX post. The design and operation of the SSME are reviewed; the LOX post structure is described; and particular attention is given to the generation of composite load spectra, the finite-element model of the LOX post, and the steps in the NESSUS structural analysis. The results are presented in extensive tables and graphs, and it is shown that NESSUS correctly predicts the structural effects of changes in the temperature loading. The probabilistic approach also facilitates (1) damage assessments for a given failure model (based on gas temperature, heat-shield gap, and material properties) and (2) correlation of the gas temperature with operational parameters such as engine thrust.

Influence of annealing temperature on optical properties of the photonic-crystal structures obtained by self-organization of colloidal microspheres of polystyrene and silica

NASA Astrophysics Data System (ADS)

Mikhnev, L. V.; Bondarenko, E. A.; Chapura, O. M.; Skomorokhov, A. A.; Kravtsov, A. A.

2018-01-01

The influence of annealing temperature on the transmission spectra of photonic crystals composed of polystyrene and silicon dioxide microspheres was studied. It was found that annealing of photonic crystals based on polystyrene and silica leads to a shift in the photonic band gap to the short-wavelength region. Based on the results of optical studies, the dependences of the structural parameters of the obtained opal-like crystals on annealing temperature were obtained. In the case of polystyrene photonic crystals, the displacement of the photonic band gap is observed in a narrow temperature range above the glass transition temperature. For SiO2 photonic crystals, it was found that the process of microspheres sintering is complex and involves three stages of structural modification.

Nonlinear control of linear parameter varying systems with applications to hypersonic vehicles

NASA Astrophysics Data System (ADS)

Wilcox, Zachary Donald

The focus of this dissertation is to design a controller for linear parameter varying (LPV) systems, apply it specifically to air-breathing hypersonic vehicles, and examine the interplay between control performance and the structural dynamics design. Specifically a Lyapunov-based continuous robust controller is developed that yields exponential tracking of a reference model, despite the presence of bounded, nonvanishing disturbances. The hypersonic vehicle has time varying parameters, specifically temperature profiles, and its dynamics can be reduced to an LPV system with additive disturbances. Since the HSV can be modeled as an LPV system the proposed control design is directly applicable. The control performance is directly examined through simulations. A wide variety of applications exist that can be effectively modeled as LPV systems. In particular, flight systems have historically been modeled as LPV systems and associated control tools have been applied such as gain-scheduling, linear matrix inequalities (LMIs), linear fractional transformations (LFT), and mu-types. However, as the type of flight environments and trajectories become more demanding, the traditional LPV controllers may no longer be sufficient. In particular, hypersonic flight vehicles (HSVs) present an inherently difficult problem because of the nonlinear aerothermoelastic coupling effects in the dynamics. HSV flight conditions produce temperature variations that can alter both the structural dynamics and flight dynamics. Starting with the full nonlinear dynamics, the aerothermoelastic effects are modeled by a temperature dependent, parameter varying state-space representation with added disturbances. The model includes an uncertain parameter varying state matrix, an uncertain parameter varying non-square (column deficient) input matrix, and an additive bounded disturbance. In this dissertation, a robust dynamic controller is formulated for a uncertain and disturbed LPV system. The developed controller is then applied to a HSV model, and a Lyapunov analysis is used to prove global exponential reference model tracking in the presence of uncertainty in the state and input matrices and exogenous disturbances. Simulations with a spectrum of gains and temperature profiles on the full nonlinear dynamic model of the HSV is used to illustrate the performance and robustness of the developed controller. In addition, this work considers how the performance of the developed controller varies over a wide variety of control gains and temperature profiles and are optimized with respect to different performance metrics. Specifically, various temperature profile models and related nonlinear temperature dependent disturbances are used to characterize the relative control performance and effort for each model. Examining such metrics as a function of temperature provides a potential inroad to examine the interplay between structural/thermal protection design and control development and has application for future HSV design and control implementation.

The effect of different temperature profiles upon the length and crystallinity of vertically-aligned multi-walled carbon nanotubes.

PubMed

Yun, Jongju; Lee, Cheesung; Zheng, Qing; Baik, Seunghyun

2012-08-01

We synthesized vertically-aligned multi-walled carbon nanotubes with an inner diameter of 1.6-7.5 nm and stack height of 80-28600 microm by chemical vapor deposition. The effects of synthesis conditions such as substrate position in the tube furnace, maximum temperature, temperature increasing rate and synthesis duration on the structure of nanotubes were investigated. It was found that slightly faster temperature increase rate resulted in significantly longer length, larger diameter and more defects of nanotubes. Structural parameters such as inner, outer diameters, wall thickness and defects were investigated using transmission electron microscopy and Raman spectroscopy.

High pressure/temperature equation of state of gold silver alloys

NASA Astrophysics Data System (ADS)

Jenei, Zsolt; Lipp, Magnus J.; Klepeis, Jae-Hyun P.; Cynn, Hyunchae; Evans, William J.; Park, Changyong

2012-02-01

Gold-silver alloys crystallize in face centered cubic structures, like their constituent pure elements [McKeehan -- Phys.Rev. 20, 424 (1922)]. The cell parameter of the alloys does not scale linearly with the ratio of Ag/Au. In this work we investigate the high-pressure/temperature behavior of gold-silver alloys with different Au/Ag ratios. Powder x-ray diffraction experiments performed at HPCAT/Advanced Photon Source confirm the stability of the alloy's fcc structure to pressures/temperatures exceeding 100 GPa/1000 K. We will present isothermal EOS of the alloys from ambient temperature up to 1000 K, discuss the thermal expansion and its variation with pressure.

Magneto-optical study of holmium iron garnet Ho3Fe5O12

NASA Astrophysics Data System (ADS)

Kalashnikova, A. M.; Pavlov, V. V.; Kimel, A. V.; Kirilyuk, A.; Rasing, Th.; Pisarev, R. V.

2012-09-01

Bulk holmium iron garnet Ho3Fe5O12 is a cubic ferrimagnet with Curie temperature TC = 567 K and magnetization compensation point in the range 130-140 K. The magneto-optical data are presented for a holmium iron garnet Ho3Fe5O12 film, ˜10 μm thick, epitaxially grown on a (111)-type gadolinium-gallium garnet Gd3Ga5O12 substrate. A specific feature of this structure is that the parameters of the bulk material, from which the film was grown, closely match the substrate ones. The temperature and field dependences of Faraday rotation as well as the temperature dependence of the domain structure in zero field were investigated. The compensation point of the structure was found to be Tcomp = 127 K. It was shown that the temperature dependence of the characteristic size of domain structure diverges at this point. Based on the obtained results we established that the magnetic anisotropy of the material is determined by both uniaxial and cubic contributions, each characterized by different temperature dependence. A complex shape of hysteresis loops and sharp changes of the domain pattern with temperature indicate the presence of collinear-noncollinear phase transitions. Study of the optical second harmonic generation was carried out using 100 fs laser pulses with central photon energy E = 1.55 eV. The electric dipole contribution (both crystallographic and magnetic) to the second harmonic generation was observed with high reliability despite a small mismatch of the film and substrate parameters.

Filtering properties of Thue-Morse nano-photonic crystals containing high-temperature superconductor

NASA Astrophysics Data System (ADS)

Talebzadeh, Robabeh; Bavaghar, Mehrdad

2018-05-01

In this paper, we introduced new design of quasi-periodic layered structures by choosing order two of ternary Thue-Morse structure. We considered Superconductor-dielectric photonic crystal with mirror symmetric as (ABSSAB)N(BASSBA)N composed of two kinds of nano-scale dielectric layers (A and B) and high-temperature superconductor layers where N is the number of period. This structure is assumed to be the free space. By using the transfer matrix method and the two fluid model, we theoretically study the transmission spectrum of ternary Thue-Morse superconducting photonic crystals with mirror symmetry and introduce this structure as a narrow optical filter. We showed that transmission peak so-called defect mode appears itself inside the transmission spectrum of suggested structure as same as defective layered structure. Also, we analyzed the influence of various related parameters such as the operating temperature of superconductor layer on position of defect mode. The redshift of defect mode with increasing the operating temperature was observed.

Synthesis and characterization of electrical conducting porous carbon structures based on resorcinol-formaldehyde

NASA Astrophysics Data System (ADS)

Najeh, I.; Ben Mansour, N.; Mbarki, M.; Houas, A.; Nogier, J. Ph.; El Mir, L.

2009-10-01

Electrical conducting carbon (ECC) porous structures were explored by changing the pyrolysis temperature of organic xerogel compounds prepared by sol-gel method from resorcinol-formaldehyde (RF) mixtures in acetone using picric acid as catalyst. The effect of this preparation parameter on the structural and electrical properties of the obtained ECCs was studied. The analysis of the obtained results revealed that the polymeric insulating xerogel phase was transformed progressively with pyrolysis temperature into carbon conducting phase; this means the formation of long continuous conducting path for charge carriers to move inside the structure with thermal treatment and the samples exhibited tangible percolation behaviour where the percolation threshold can be determined by pyrolysis temperature. The temperature-dependent conductivity of the obtained ECC structures shows a semi-conducting behaviour and the I( V) characteristics present a negative differential resistance. The results obtained from STM micrographs revealed that the obtained ECC structures consist of porous electrical conducting carbon materials.

Synthesis, structural and semiconducting properties of Ba(Cu1/3 Sb2/3)O3-PbTiO3 solid solutions

NASA Astrophysics Data System (ADS)

Singh, Chandra Bhal; Kumar, Dinesh; Prashant, Verma, Narendra Kumar; Singh, Akhilesh Kumar

2018-05-01

We report the synthesis and properties of a new solid solution 0.05Ba(Cu1/3Sb2/3)O3-0.95PbTiO3 (BCS-PT) which shows the semiconducting properties. In this study, we have designed new perovskite-type (ABO3) solid solution of BCS-PT that have tunable optical band gap. BCS-PT compounds were prepared by conventional solid-state reaction method and their structural, micro-structural and optical properties were analyzed. The calcination temperature for BCS-PT solid solutions has been optimized to obtain a phase pure system. The Reitveld analysis of X-ray data show that all samples crystallize in tetragonal crystal structure with space group P4mm. X-ray investigation revealed that increase in calcination temperature led to increase of lattice parameter `a' while `c' parameter value lowered. The band gap of PbTiO3 is reduced from 3.2 eV to 2.8 eV with BCS doping and with increasing calcination temperature it further reduces to 2.56 eV. The reduced band gap indicated that the compounds are semiconducting and can be used for photovoltaic device applications.

Environmental effects on natural frequencies of the San Pietro bell tower in Perugia, Italy, and their removal for structural performance assessment

NASA Astrophysics Data System (ADS)

Ubertini, Filippo; Comanducci, Gabriele; Cavalagli, Nicola; Laura Pisello, Anna; Luigi Materazzi, Annibale; Cotana, Franco

2017-01-01

Continuously identified natural frequencies of vibration can provide unique information for low-cost automated condition assessment of civil constructions and infrastructures. However, the effects of changes in environmental parameters, such as temperature and humidity, need to be effectively investigated and accurately removed from identified frequency data for an effective performance assessment. This task is particularly challenging in the case of historical constructions that are typically massive and heterogeneous masonry structures characterized by complex variations of materials' properties with varying environmental parameters and by a differential heat conduction process where thermal capacity plays a major role. While there is abundance of documented monitoring data highlighting correlations between environmental parameters and natural frequencies in the case of new structures, such as long-span bridges, similar studies for historical constructions are still missing, with only a few literature works occasionally reporting increments in natural frequencies with increasing temperature of construction materials due to the closure of internal micro-cracks in the mortar layers caused by thermal expansion. In order to gain some knowledge on the effects of changes in temperature and humidity on the natural frequencies of slender masonry buildings, the paper focuses on the case study of an Italian monumental bell tower that has been monitored by the authors for more than nine months. Correlations between natural frequencies and environmental parameters are investigated in detail and the predictive capabilities of linear statistical regressive models based on the use of several environmental continuous monitoring sensors are assessed. At the end, three basic mechanisms governing environmentally-induced changes in the dynamic behavior of the tower are identified and essential information is achieved on the optimal location and minimum number of environmental sensors that are necessary in a structural health monitoring perspective.

Method of determining operation parameters of stand tests of vehicle suspension elements under conditions of ultra-low temperatures

NASA Astrophysics Data System (ADS)

Fedyanov, E. A.; Sokolov-Dobrev, N. S.; Ljashenko, M. V.; Shekhovtsov, V. V.; Potapov, P. V.; Dolotov, A. A.; Klementiev, E. V.

2018-05-01

This article presents the description of the method for estimation of heat flows characteristic during research of operability of suspension elements under the conditions of ultralow temperature. The mentioned research is performed at the test bench created in VSTU. Solid carbon dioxide (also known as artificial ice) is used as the coolant. The method provides evaluation of required quantity of artificial ice and cooling dynamics of the test unit in the insulated low-temperature chamber with structurally specified parameters of heat insulation. Also the method allows computation of heat intake into the chamber volume.

A versatile phenomenological model for the S-shaped temperature dependence of photoluminescence energy for an accurate determination of the exciton localization energy in bulk and quantum well structures

NASA Astrophysics Data System (ADS)

Dixit, V. K.; Porwal, S.; Singh, S. D.; Sharma, T. K.; Ghosh, Sandip; Oak, S. M.

2014-02-01

Temperature dependence of the photoluminescence (PL) peak energy of bulk and quantum well (QW) structures is studied by using a new phenomenological model for including the effect of localized states. In general an anomalous S-shaped temperature dependence of the PL peak energy is observed for many materials which is usually associated with the localization of excitons in band-tail states that are formed due to potential fluctuations. Under such conditions, the conventional models of Varshni, Viña and Passler fail to replicate the S-shaped temperature dependence of the PL peak energy and provide inconsistent and unrealistic values of the fitting parameters. The proposed formalism persuasively reproduces the S-shaped temperature dependence of the PL peak energy and provides an accurate determination of the exciton localization energy in bulk and QW structures along with the appropriate values of material parameters. An example of a strained InAs0.38P0.62/InP QW is presented by performing detailed temperature and excitation intensity dependent PL measurements and subsequent in-depth analysis using the proposed model. Versatility of the new formalism is tested on a few other semiconductor materials, e.g. GaN, nanotextured GaN, AlGaN and InGaN, which are known to have a significant contribution from the localized states. A quantitative evaluation of the fractional contribution of the localized states is essential for understanding the temperature dependence of the PL peak energy of bulk and QW well structures having a large contribution of the band-tail states.

Dynamics and structure of hydrogen-bonding glass formers: Comparison between hexanetriol and sugar alcohols based on dielectric relaxation

NASA Astrophysics Data System (ADS)

Nakanishi, Masahiro; Nozaki, Ryusuke

2010-04-01

Broadband dielectric spectra of supercooled 1,2,6-hexanetriol are presented in order to reveal physical picture behind a glass transition of polyhydric alcohols. It has been reported so far that temperature dependences of α relaxation time for sugar alcohols exhibit systematic trend against number of carbon atoms or OH groups per molecule. However, because each molecule is composed of equal number of carbon atoms and OH groups in the case of the reported sugar alcohols, the more dominant parameter to govern the α relaxation dynamics has not been discussed. By using a chemical structure of the hexanetriol composed of the deferent number of carbon and OH, it is possible to determine the dominant parameter. From temperature dependence of α relaxation times, it is strongly supported that the number of OH groups is the dominant parameter. Furthermore, from an analysis of static dielectric constant, it is suggested that local hydrogen-bonding structure is similar among all polyhydric alcohols. From these two results, a simple picture of the origin of the systematic character is proposed.

Dynamics and structure of hydrogen-bonding glass formers: comparison between hexanetriol and sugar alcohols based on dielectric relaxation.

PubMed

Nakanishi, Masahiro; Nozaki, Ryusuke

2010-04-01

Broadband dielectric spectra of supercooled 1,2,6-hexanetriol are presented in order to reveal physical picture behind a glass transition of polyhydric alcohols. It has been reported so far that temperature dependences of alpha relaxation time for sugar alcohols exhibit systematic trend against number of carbon atoms or OH groups per molecule. However, because each molecule is composed of equal number of carbon atoms and OH groups in the case of the reported sugar alcohols, the more dominant parameter to govern the alpha relaxation dynamics has not been discussed. By using a chemical structure of the hexanetriol composed of the deferent number of carbon and OH, it is possible to determine the dominant parameter. From temperature dependence of alpha relaxation times, it is strongly supported that the number of OH groups is the dominant parameter. Furthermore, from an analysis of static dielectric constant, it is suggested that local hydrogen-bonding structure is similar among all polyhydric alcohols. From these two results, a simple picture of the origin of the systematic character is proposed.

Elastic and anelastic relaxations associated with the incommensurate structure of Pr0.48Ca0.52MnO3

NASA Astrophysics Data System (ADS)

Carpenter, Michael A.; Howard, Christopher J.; McKnight, Ruth E. A.; Migliori, Albert; Betts, Jon B.; Fanelli, Victor R.

2010-10-01

The elastic and anelastic properties of a polycrystalline sample of Pr0.48Ca0.52MnO3 have been investigated by resonant ultrasound spectroscopy, as a function of temperature (10-1130 K) and magnetic field strength (0-15 T). Marked softening of the shear modulus as the Pnma↔incommensurate phase transition at ˜235K in zero field is approached from either side is consistent with pseudoproper ferroelastic character, driven by an order parameter with Γ3+ symmetry associated with Jahn-Teller ordering. This is accompanied by an increase in attenuation just below the transition point. The attenuation remains relatively high down to ˜80K , where there is a distinct Debye peak. It is attributed to coupling of shear strain with the Γ3+ order parameter which, in turn, controls the repeat distance of the incommensurate structure. Kinetic data extracted from the Debye peak suggest that the rate-controlling process could be related to migration of polarons. Elastic softening and stiffening as a function of magnetic field at constant temperatures between 177 and ˜225K closely resembles the behavior as a function of temperature at 0, 5, and 10 T and is consistent with thermodynamically continuous behavior for the phase transition in both cases. This overall pattern can be rationalized in terms of linear/quadratic coupling between the Γ3+ order parameter and an order parameter with Σ1 or Σ2 symmetry. It is also consistent with a dominant role for spontaneous strains in determining the strength of coupling, evolution of the incommensurate microstructure, and equilibrium evolution of the Jahn-Teller ordered structure through multicomponent order-parameter space.

Theoretical Study of Electronic Structure and Thermoelectric Properties of Doped CuAlO2

NASA Astrophysics Data System (ADS)

Poopanya, P.; Yangthaisong, A.; Rattanapun, C.; Wichainchai, A.

2011-05-01

The doping level dependence of thermoelectric properties of delafossite CuAlO2 has been investigated in the constant scattering time ( τ) approximation, starting from the first principles of electronic structure. In particular, the lattice parameters and the energy band structure were calculated using the total energy plane-wave pseudopotential method. It was found that the lattice parameters of CuAlO2 are a = 2.802 Å and c = 16.704 Å, and the internal parameter is u = 0.1097. CuAlO2 has an indirect band gap of 2.17 eV and a direct gap of 3.31 eV. The calculated energy band structures were then used to calculate the electrical transport coefficients of CuAlO2. By considering the effects of doping level and temperature, it was found that the Seebeck coefficient S( T) increases with increasing acceptor doping ( A d) level. The values of S( T) in our experiments correspond to an A d level at 0.262 eV, which is identified as the Fermi level of CuAlO2. Based on our experimental Seebeck coefficient and the electrical conductivity, the constant relaxation time is estimated to be 1 × 10-16 s. The power factor is large for a low A d level and increases with temperature. It is suggested that delafossite CuAlO2 can be considered as a promising thermoelectric oxide material at high doping and high temperature.

High-temperature testing of high performance fiber reinforced concrete

NASA Astrophysics Data System (ADS)

Fořt, Jan; Vejmelková, Eva; Pavlíková, Milena; Trník, Anton; Čítek, David; Kolísko, Jiří; Černý, Robert; Pavlík, Zbyšek

2016-06-01

The effect of high-temperature exposure on properties of High Performance Fiber Reinforced Concrete (HPFRC) is researched in the paper. At first, reference measurements are done on HPFRC samples without high-temperature loading. Then, the HPFRC samples are exposed to the temperatures of 200, 400, 600, 800, and 1000 °C. For the temperature loaded samples, measurement of residual mechanical and basic physical properties is done. Linear thermal expansion coefficient as function of temperature is accessed on the basis of measured thermal strain data. Additionally, simultaneous difference scanning calorimetry (DSC) and thermogravimetry (TG) analysis is performed in order to observe and explain material changes at elevated temperature. It is found that the applied high temperature loading significantly increases material porosity due to the physical, chemical and combined damage of material inner structure, and negatively affects also the mechanical strength. Linear thermal expansion coefficient exhibits significant dependence on temperature and changes of material structure. The obtained data will find use as input material parameters for modelling the damage of HPFRC structures exposed to the fire and high temperature action.

Structure and optical properties of evaporated films of the Cr- and V-group metals

NASA Technical Reports Server (NTRS)

Nestell, J. E., Jr.; Christy, R. W.; Cohen, M. H.; Ruben, G. C.

1980-01-01

Thin films of Cr, Mo, and W rapidly evaporated in high vacuum (5 x 10 to the -7th torr) onto room-temperature substrates show anomalously low reflectance (compared to bulk samples). From electron and X-ray diffraction and electron microscopy, the normal bcc crystal structure is found, but with very fine grains. Columnar grains about 100 A in diameter were separated by a less dense grain-boundary network about 10-A wide. The measured optical conductivity agrees with an inhomogeneous-medium model that assumes the normal crystalline conductivity for the grain interiors, with model parameters that correlate to the observed columnar grain size. In contrast, V and Nb films rapidly evaporated onto room-temperature substrates have the reflectance of bulk crystalline material. On liquid-nitrogen temperature substrates, however, V and Nb have normal bcc crystal structure but with small flat-plate grains, and the same model, with appropriate parameters, accounts for the optical conductivity. The difference between these two groups apparently depends on residual gases segregated at the grain boundaries in the Cr-group films.

Two-order-parameter description of liquid Al under five different pressures

NASA Astrophysics Data System (ADS)

Li, Y. D.; Hao, Qing-Hai; Cao, Qi-Long; Liu, C. S.

2008-11-01

In the present work, using the glue potential, the constant pressure molecular-dynamics simulations of liquid Al under five various pressures and a systematic analysis of the local atomic structures have been performed in order to test the two-order-parameter model proposed by Tanaka [Phys. Rev. Lett. 80, 5750 (1998)] originally for explaining the unusual behaviors of liquid water. The temperature dependence of the bond order parameter Q6 in liquid Al under five different pressures can be well fitted by the functional expression (Q6)/(1-Q6)=Q60exp((ΔE-PΔV)/(kBT)) which produces the energy gain ΔE and the volume change upon the formation of a locally favored structure: ΔE=0.025eV and ΔV=-0.27(Å)3 . ΔE is nearly equal to the difference between the average bond energy of the other type I bonds and the average bond energy of 1551 bonds (characterizing the icosahedronlike local structure); ΔV could be explained as the average volume occupied by one atom in icosahedra minus that occupied by one atom in other structures. With the obtained ΔE and ΔV , it is satisfactorily explained that the density of liquid Al displays a much weaker nonlinear dependence on temperature under lower pressures. So it is demonstrated that the behavior of liquid Al can be well described by the two-order-parameter model.

Buckling analysis of SMA bonded sandwich structure – using FEM

NASA Astrophysics Data System (ADS)

Katariya, Pankaj V.; Das, Arijit; Panda, Subrata K.

2018-03-01

Thermal buckling strength of smart sandwich composite structure (bonded with shape memory alloy; SMA) examined numerically via a higher-order finite element model in association with marching technique. The excess geometrical distortion of the structure under the elevated environment modeled through Green’s strain function whereas the material nonlinearity counted with the help of marching method. The system responses are computed numerically by solving the generalized eigenvalue equations via a customized MATLAB code. The comprehensive behaviour of the current finite element solutions (minimum buckling load parameter) is established by solving the adequate number of numerical examples including the given input parameter. The current numerical model is extended further to check the influence of various structural parameter of the sandwich panel on the buckling temperature including the SMA effect and reported in details.

Neutron scattering reveals the dynamic basis of protein adaptation to extreme temperature.

PubMed

Tehei, Moeava; Madern, Dominique; Franzetti, Bruno; Zaccai, Giuseppe

2005-12-09

To explore protein adaptation to extremely high temperatures, two parameters related to macromolecular dynamics, the mean square atomic fluctuation and structural resilience, expressed as a mean force constant, were measured by neutron scattering for hyperthermophilic malate dehydrogenase from Methanococcus jannaschii and a mesophilic homologue, lactate dehydrogenase from Oryctolagus cunniculus (rabbit) muscle. The root mean square fluctuations, defining flexibility, were found to be similar for both enzymes (1.5 A) at their optimal activity temperature. Resilience values, defining structural rigidity, are higher by an order of magnitude for the high temperature-adapted protein (0.15 Newtons/meter for O. cunniculus lactate dehydrogenase and 1.5 Newtons/meter for M. jannaschii malate dehydrogenase). Thermoadaptation appears to have been achieved by evolution through selection of appropriate structural rigidity in order to preserve specific protein structure while allowing the conformational flexibility required for activity.

Adaptation of model proteins from cold to hot environments involves continuous and small adjustments of average parameters related to amino acid composition.

PubMed

De Vendittis, Emmanuele; Castellano, Immacolata; Cotugno, Roberta; Ruocco, Maria Rosaria; Raimo, Gennaro; Masullo, Mariorosario

2008-01-07

The growth temperature adaptation of six model proteins has been studied in 42 microorganisms belonging to eubacterial and archaeal kingdoms, covering optimum growth temperatures from 7 to 103 degrees C. The selected proteins include three elongation factors involved in translation, the enzymes glyceraldehyde-3-phosphate dehydrogenase and superoxide dismutase, the cell division protein FtsZ. The common strategy of protein adaptation from cold to hot environments implies the occurrence of small changes in the amino acid composition, without altering the overall structure of the macromolecule. These continuous adjustments were investigated through parameters related to the amino acid composition of each protein. The average value per residue of mass, volume and accessible surface area allowed an evaluation of the usage of bulky residues, whereas the average hydrophobicity reflected that of hydrophobic residues. The specific proportion of bulky and hydrophobic residues in each protein almost linearly increased with the temperature of the host microorganism. This finding agrees with the structural and functional properties exhibited by proteins in differently adapted sources, thus explaining the great compactness or the high flexibility exhibited by (hyper)thermophilic or psychrophilic proteins, respectively. Indeed, heat-adapted proteins incline toward the usage of heavier-size and more hydrophobic residues with respect to mesophiles, whereas the cold-adapted macromolecules show the opposite behavior with a certain preference for smaller-size and less hydrophobic residues. An investigation on the different increase of bulky residues along with the growth temperature observed in the six model proteins suggests the relevance of the possible different role and/or structure organization played by protein domains. The significance of the linear correlations between growth temperature and parameters related to the amino acid composition improved when the analysis was collectively carried out on all model proteins.

Ab initio studies of structural, electronic, optical, elastic and thermal properties of silver gallium dichalcogenides (AgGaX{sub 2}: X = S, Se, Te)

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

Sharma, Sheetal; Department of Physics, Panjab University, Chandigarh 160014; Verma, A.S., E-mail: ajay_phy@rediffmail.com

2014-05-01

Graphical abstract: - Highlights: • FP-LAPW method has been used to compute the solid state properties of AgGaX{sub 2} (X = S, Se, Te). • Electronic and optical properties reported with recently developed mBJ potential. • Thermal expansion, heat capacity, Debye temperature, entropy and Grüneisen parameter were evaluated. • Hardness was calculated for the first time at different temperature and pressure. - Abstract: We have performed ab initio calculations for the structural, electronic, optical, elastic and thermal properties of the silver gallium dichalcogenides (AgGaX{sub 2}: X = S, Se, Te). In this study, we have used the accurate full potentialmore » linearized augmented plane wave (FP-LAPW) method to find the equilibrium structural parameters and to compute the six elastic constants (C{sub 11}, C{sub 12}, C{sub 13}, C{sub 33}, C{sub 44} and C{sub 66}). We have reported electronic and optical properties with the recently developed density functional theory of Tran and Blaha, and this theory is used along with the Wu-Cohen generalized gradient approximation (WC-GGA) for the exchange-correlation potential. Furthermore, optical features such as dielectric functions, refractive indices, extinction coefficient, optical reflectivity, absorption coefficients and optical conductivities were calculated for photon energies up to 40 eV. The thermodynamical properties such as thermal expansion, heat capacity, debye temperature, entropy, Grüneisen parameter and bulk modulus were calculated employing the quasi-harmonic Debye model at different temperatures (0–900 K) and pressures (0–8 GPa) and the silent results were interpreted. Hardness of the materials was calculated for the first time at different temperatures and pressures.« less

Stress influenced trapping processes in Si based multi-quantum well structures and heavy ions implanted Si

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

Ciurea, Magdalena Lidia, E-mail: ciurea@infim.ro; Lazanu, Sorina, E-mail: ciurea@infim.ro

2014-10-06

Multi-quantum well structures and Si wafers implanted with heavy iodine and bismuth ions are studied in order to evaluate the influence of stress on the parameters of trapping centers. The experimental method of thermostimullatedcurrents without applied bias is used, and the trapping centers are filled by illumination. By modeling the discharge curves, we found in multilayered structures the parameters of both 'normal' traps and 'stress-induced' ones, the last having a Gaussian-shaped temperature dependence of the cross section. The stress field due to the presence of stopped heavy ions implanted into Si was modeled by a permanent electric field. The increasemore » of the strain from the neighborhood of I ions to the neighborhood of Bi ions produces the broadening of some energy levels and also a temperature dependence of the cross sections for all levels.« less

Stress influenced trapping processes in Si based multi-quantum well structures and heavy ions implanted Si

NASA Astrophysics Data System (ADS)

Ciurea, Magdalena Lidia; Lazanu, Sorina

2014-10-01

Multi-quantum well structures and Si wafers implanted with heavy iodine and bismuth ions are studied in order to evaluate the influence of stress on the parameters of trapping centers. The experimental method of thermostimullatedcurrents without applied bias is used, and the trapping centers are filled by illumination. By modeling the discharge curves, we found in multilayered structures the parameters of both 'normal' traps and 'stress-induced' ones, the last having a Gaussian-shaped temperature dependence of the cross section. The stress field due to the presence of stopped heavy ions implanted into Si was modeled by a permanent electric field. The increase of the strain from the neighborhood of I ions to the neighborhood of Bi ions produces the broadening of some energy levels and also a temperature dependence of the cross sections for all levels.

Growth and structure of Bi 0.5(Na 0.7K 0.2Li 0.1) 0.5TiO 3 thin films prepared by pulsed laser deposition technique

NASA Astrophysics Data System (ADS)

Lu, Lei; Xiao, Dingquan; Lin, Dunmin; Zhang, Yongbin; Zhu, Jianguo

2009-02-01

Bi 0.5(Na 0.7K 0.2Li 0.1) 0.5TiO 3 (BNKLT) thin films were prepared on Pt/Ti/SiO 2/Si substrates by pulsed laser deposition (PLD) technique. The films prepared were examined by using X-ray diffraction (XRD), scanning electron microscopy (SEM) and atomic force microscopy (AFM). The effects of the processing parameters, such as oxygen pressure, substrate temperature and laser power, on the crystal structure, surface morphology, roughness and deposition rates of the thin films were investigated. It was found that the substrate temperature of 600 °C and oxygen pressure of 30 Pa are the optimized technical parameters for the growth of textured film, and all the thin films prepared have granular structure, homogeneous grain size and smooth surfaces.

On the nature of the liquid-to-glass transition equation

NASA Astrophysics Data System (ADS)

Sanditov, D. S.

2016-09-01

Within the model of delocalized atoms, it is shown that the parameter δ T g , which enters the glasstransition equation qτ g = δ T g and characterizes the temperature interval in which the structure of a liquid is frozen, is determined by the fluctuation volume fraction {f_g} = {( {{{Δ {V_e}} / V _{T = {T_g}}} frozen at the glass-transition temperature T g and the temperature T g itself. The parameter δ T g is estimated by data on f g and T g . The results obtained are in agreement with the values of δ T g calculated by the Williams-Landel-Ferry (WLF) equation, as well as with the product qτ g —the left-hand side of the glass-transition equation ( q is the cooling rate of the melt, and τ g is the structural relaxation time at the glass-transition temperature). Glasses of the same class with f g ≈ const exhibit a linear correlation between δ T g and T g . It is established that the currently used methods of Bartenev and Nemilov for calculating δ T g yield overestimated values, which is associated with the assumption, made during deriving the calculation formulas, that the activation energy of the glass-transition process is constant. A generalized Bartenev equation is derived for the dependence of the glass-transition temperature on the cooling rate of the melt with regard to the temperature dependence of the activation energy of the glasstransition process. A modified version of the kinetic glass-transition criterion is proposed. A conception is developed that the fluctuation volume fraction f = Δ V e / V can be interpreted as an internal structural parameter analogous to the parameter ξ in the Mandelstam-Leontovich theory, and a conjecture is put forward that the delocalization of an active atom—its critical displacement from the equilibrium position—can be considered as one of possible variants of excitation of a particle in the Vol'kenshtein-Ptitsyn theory. The experimental data used in the study refer to a constant cooling rate of q = 0.05 K/s (3 K/min).

Neural network-based preprocessing to estimate the parameters of the X-ray emission of a single-temperature thermal plasma

NASA Astrophysics Data System (ADS)

Ichinohe, Y.; Yamada, S.; Miyazaki, N.; Saito, S.

2018-04-01

We present data preprocessing based on an artificial neural network to estimate the parameters of the X-ray emission spectra of a single-temperature thermal plasma. The method finds appropriate parameters close to the global optimum. The neural network is designed to learn the parameters of the thermal plasma (temperature, abundance, normalization and redshift) of the input spectra. After training using 9000 simulated X-ray spectra, the network has grown to predict all the unknown parameters with uncertainties of about a few per cent. The performance dependence on the network structure has been studied. We applied the neural network to an actual high-resolution spectrum obtained with Hitomi. The predicted plasma parameters agree with the known best-fitting parameters of the Perseus cluster within uncertainties of ≲10 per cent. The result shows that neural networks trained by simulated data might possibly be used to extract a feature built in the data. This would reduce human-intensive preprocessing costs before detailed spectral analysis, and would help us make the best use of the large quantities of spectral data that will be available in the coming decades.

A Combined Precipitation, Yield Stress, and Work Hardening Model for Al-Mg-Si Alloys Incorporating the Effects of Strain Rate and Temperature

NASA Astrophysics Data System (ADS)

Myhr, Ole Runar; Hopperstad, Odd Sture; Børvik, Tore

2018-05-01

In this study, a combined precipitation, yield strength, and work hardening model for Al-Mg-Si alloys known as NaMo has been further developed to include the effects of strain rate and temperature on the resulting stress-strain behavior. The extension of the model is based on a comprehensive experimental database, where thermomechanical data for three different Al-Mg-Si alloys are available. In the tests, the temperature was varied between 20 °C and 350 °C with strain rates ranging from 10-6 to 750 s-1 using ordinary tension tests for low strain rates and a split-Hopkinson tension bar system for high strain rates, respectively. This large span in temperatures and strain rates covers a broad range of industrial relevant problems from creep to impact loading. Based on the experimental data, a procedure for calibrating the different physical parameters of the model has been developed, starting with the simplest case of a stable precipitate structure and small plastic strains, from which basic kinetic data for obstacle limited dislocation glide were extracted. For larger strains, when work hardening becomes significant, the dynamic recovery was linked to the Zener-Hollomon parameter, again using a stable precipitate structure as a basis for calibration. Finally, the complex situation of concurrent work hardening and dynamic evolution of the precipitate structure was analyzed using a stepwise numerical solution algorithm where parameters representing the instantaneous state of the structure were used to calculate the corresponding instantaneous yield strength and work hardening rate. The model was demonstrated to exhibit a high degree of predictive power as documented by a good agreement between predictions and measurements, and it is deemed well suited for simulations of thermomechanical processing of Al-Mg-Si alloys where plastic deformation is carried out at various strain rates and temperatures.

Growth optimization and electronic structure of ultrathin CoO films on Ag(001): A LEED and photoemission study

NASA Astrophysics Data System (ADS)

Barman, Sukanta; Menon, Krishnakumar S. R.

2018-04-01

We present here a detailed growth optimization of CoO thin film on Ag(001) involving the effects of different growth parameters on the electronic structure. A well-ordered stoichiometric growth of 5 ML CoO film has been observed at 473 K substrate temperature and 1 × 10-6 mbar oxygen partial pressure. The growth at lower substrate temperature and oxygen partial pressure show non-stoichiometric impurity phases which have been investigated further to correlate the growth parameters with surface electronic structure. The coverage dependent valence band electronic structure of the films grown at optimized condition reveals the presence of interfacial states near the Fermi edge (EF) for lower film coverages. Presence of interfacial states in the stoichiometric films rules out their defect-induced origin. We argue that this is an intrinsic feature of transition metal monoxides like NiO, CoO, MnO in the low coverage regime.

Monte Carlo Study of Magnetic Properties of Mixed Spins in a Fullerene X 30 Y 30-Like Structure

NASA Astrophysics Data System (ADS)

Mhirech, A.; Aouini, S.; Alaoui-Ismaili, A.; Bahmad, L.

2018-03-01

In this work, inspiring form of the fullerene-C60 structures, we study the mixed X_{30} Y_{30} fullerene-like structure and investigate its magnetic properties. In a such a structure, the carbons are assumed to be replaced by magnetic atoms having spin moments σ = 1/2 and S = 1. Firstly, we elaborate the ground-state phase diagrams in different physical parameter planes. In a second stage, we investigate the exchange coupling interaction effects in the absence or presence of both external magnetic and crystal fields. Using the Monte Carlo method, we carried out a study of the system magnetic properties and the thermal behavior of such a system for the ferromagnetic case. It is found that the critical temperature increases when increasing the coupling exchange interactions. On the other hand, the coercive magnetic field increases also when increasing the coupling exchange interactions. However, this physical parameter decreases when increasing the reduced temperature.

Structural and magnetic phase transitions in EuTi 1-xNb xO 3

DOE PAGES

Li, Ling; Morris, James R.; Koehler, Michael R.; ...

2015-07-30

Here, we investigate the structural and magnetic phase transitions in EuTi 1-xNb xO 3 (0≤x≤0.3) with synchrotron powder x-ray diffraction, resonant ultrasound spectroscopy, and magnetization measurements. Upon Nb doping, the Pmmore » $$\\bar{3}$$m ↔ I4/mcm structural transition shifts to higher temperatures and the room temperature lattice parameter increases while the magnitude of the octahedral tilting decreases. In addition, Nb substitution for Ti destabilizes the antiferromagnetic ground state of the parent compound and long-range ferromagnetic order is observed in the samples with x≥0.1. Moreover, the structural transition in pure and doped compounds is marked by a dramatic step-like softening of the elastic moduli near T S, which resembles that of SrTiO 3 and can be adequately modeled using the Landau free energy model employing the same coupling between strain and octahedral tilting order parameter as previously used to model SrTiO 3.« less

Interfacial layer thickness dependent electrical characteristics of Au/(Zn-doped PVA)/n-4H-SiC (MPS) structures at room temperature

NASA Astrophysics Data System (ADS)

Lapa, Havva Elif; Kökce, Ali; Al-Dharob, Mohammed; Orak, İkram; Özdemir, Ahmet Faruk; Altındal, Semsettin

2017-10-01

Au/(Zn-doped PVA)/n-4H-SiC metal/polymer/semiconductor (MPS) structures with different interfacial layer thickness values (50, 150, 500 nm) were fabricated and their electrical characteristics were compared. Their electrical parameters (i.e. reverse-bias saturation current (Io), ideality factor (n), zero-bias barrier height (BH) (Φbo), series and shunt resistances (Rs, Rsh)) were calculated from the forward bias current-voltage (IF-VF) data whereas other parameters (i.e. Fermi energy level (EF), BH (Vb) and donor concentration (Nd)) were calculated from the linear part of C-2-V characteristics at room temperature. Obtained results confirmed that the values of n, Φbo, Rs and Rsh increase with increasing interlayer thickness, and linear correlation between n and Φbo was observed. The high values of n for three structures can be ascribed to the presence of an interlayer, surface states (Nss) and barrier inhomogeneities. The energy density distribution profile of Nss was obtained from the IF-VF data by taking into account voltage-dependent effective BH (Ve) and n for each structure. The Ri vs V plot for these structures was obtained using both Ohm's law and Nicollian-Brews method. All these experimental results show that the interfacial layer and its thickness play an important role in main electric parameters of these structures.

Temperature dependent electrical characteristics of Zn/ZnSe/n-GaAs/In structure

NASA Astrophysics Data System (ADS)

Sağlam, M.; Güzeldir, B.

2016-04-01

We have reported a study of the I-V characteristics of Zn/ZnSe/n-GaAs/In sandwich structure in a wide temperature range of 80-300 K by a step of 20 K, which are prepared by Successive Ionic Layer Adsorption and Reaction (SILAR) method. The main electrical parameters, such as ideality factor and zero-bias barrier height determined from the forward bias I-V characteristics were found strongly depend on temperature and when the increased, the n decreased with increasing temperature. The ideality factor and barrier height values as a function of the sample temperature have been attributed to the presence of the lateral inhomogeneities of the barrier height. Furthermore, the series resistance have been calculated from the I-V measurements as a function of temperature dependent.

Evaluating the coefficient of thermal expansion using time periods of minimal thermal gradient for a temperature driven structural health monitoring

NASA Astrophysics Data System (ADS)

Reilly, J.; Abdel-Jaber, H.; Yarnold, M.; Glisic, B.

2017-04-01

Structural Health Monitoring aims to characterize the performance of a structure from a combination of recorded sensor data and analytic techniques. Many methods are concerned with quantifying the elastic response of the structure, treating temperature changes as noise in the analysis. While these elastic profiles do demonstrate a portion of structural behavior, thermal loads on a structure can induce comparable strains to elastic loads. Understanding this relationship between the temperature of the structure and the resultant strain and displacement can provide in depth knowledge of the structural condition. A necessary parameter for this form of analysis is the Coefficient of Thermal Expansion (CTE). The CTE of a material relates the amount of expansion or contraction a material undergoes per degree change in temperature, and can be determined from temperature-strain relationship given that the thermal strain can be isolated. Many times with concrete, the actual amount of expansion with temperature in situ varies from the given values for the CTE due to thermally generated elastic strain, which complicates evaluation of the CTE. To accurately characterize the relationship between temperature and strain on a structure, the actual thermal behavior of the structure needs to be analyzed. This rate can vary for different parts of a structure, depending on boundary conditions. In a case of unrestrained structures, the strain in the structure should be linearly related to the temperature change. Thermal gradients in a structure can affect this relationship, as they induce curvature and deplanations in the cross section. This paper proposes a method that addresses these challenges in evaluating the CTE.

Growth of low temperature silicon nano-structures for electronic and electrical energy generation applications.

PubMed

Gabrielyan, Nare; Saranti, Konstantina; Manjunatha, Krishna Nama; Paul, Shashi

2013-02-15

This paper represents the lowest growth temperature for silicon nano-wires (SiNWs) via a vapour-liquid-solid method, which has ever been reported in the literature. The nano-wires were grown using plasma-enhanced chemical vapour deposition technique at temperatures as low as 150°C using gallium as the catalyst. This study investigates the structure and the size of the grown silicon nano-structure as functions of growth temperature and catalyst layer thickness. Moreover, the choice of the growth temperature determines the thickness of the catalyst layer to be used.The electrical and optical characteristics of the nano-wires were tested by incorporating them in photovoltaic solar cells, two terminal bistable memory devices and Schottky diode. With further optimisation of the growth parameters, SiNWs, grown by our method, have promising future for incorporation into high performance electronic and optical devices.

Growth of low temperature silicon nano-structures for electronic and electrical energy generation applications

PubMed Central

2013-01-01

This paper represents the lowest growth temperature for silicon nano-wires (SiNWs) via a vapour-liquid–solid method, which has ever been reported in the literature. The nano-wires were grown using plasma-enhanced chemical vapour deposition technique at temperatures as low as 150°C using gallium as the catalyst. This study investigates the structure and the size of the grown silicon nano-structure as functions of growth temperature and catalyst layer thickness. Moreover, the choice of the growth temperature determines the thickness of the catalyst layer to be used. The electrical and optical characteristics of the nano-wires were tested by incorporating them in photovoltaic solar cells, two terminal bistable memory devices and Schottky diode. With further optimisation of the growth parameters, SiNWs, grown by our method, have promising future for incorporation into high performance electronic and optical devices. PMID:23413969

Effects of Temperature and Pressure of Hot Isostatic Pressing on the Grain Structure of Powder Metallurgy Superalloy

PubMed Central

Tan, Liming; He, Guoai; Liu, Feng; Li, Yunping; Jiang, Liang

2018-01-01

The microstructure with homogeneously distributed grains and less prior particle boundary (PPB) precipitates is always desired for powder metallurgy superalloys after hot isostatic pressing (HIPping). In this work, we studied the effects of HIPping parameters, temperature and pressure on the grain structure in PM superalloy FGH96, by means of scanning electron microscope (SEM), electron backscatter diffraction (EBSD), transmission electron microscope (TEM) and Time-of-flight secondary ion spectrometry (ToF-SIMS). It was found that temperature and pressure played different roles in controlling PPB precipitation and grain structure during HIPping, the tendency of grain coarsening under high temperature could be inhibited by increasing HIPping pressure which facilitates the recrystallization. In general, relatively high temperature and pressure of HIPping were preferred to obtain an as-HIPped superalloy FGH96 with diminished PPB precipitation and homogeneously refined grains. PMID:29495312

Effects of Temperature and Pressure of Hot Isostatic Pressing on the Grain Structure of Powder Metallurgy Superalloy.

PubMed

Tan, Liming; He, Guoai; Liu, Feng; Li, Yunping; Jiang, Liang

2018-02-24

The microstructure with homogeneously distributed grains and less prior particle boundary (PPB) precipitates is always desired for powder metallurgy superalloys after hot isostatic pressing (HIPping). In this work, we studied the effects of HIPping parameters, temperature and pressure on the grain structure in PM superalloy FGH96, by means of scanning electron microscope (SEM), electron backscatter diffraction (EBSD), transmission electron microscope (TEM) and Time-of-flight secondary ion spectrometry (ToF-SIMS). It was found that temperature and pressure played different roles in controlling PPB precipitation and grain structure during HIPping, the tendency of grain coarsening under high temperature could be inhibited by increasing HIPping pressure which facilitates the recrystallization. In general, relatively high temperature and pressure of HIPping were preferred to obtain an as-HIPped superalloy FGH96 with diminished PPB precipitation and homogeneously refined grains.

Electrical and thermal investigations of the phase transition in sodium bicarbonate, NaHCO3

NASA Astrophysics Data System (ADS)

Abdel-Kader, M. M.; Fadly, M.; Abutaleb, M.; El-Tanahy, Z. H.; Eldehemy, K.; Ali, A. I.

1995-09-01

This paper reports on a structural phase transition in sodium hydrogen carbonate, NaHCO3 as revealed by the investigations of some electrical and thermal parameters. Measurements of d.c. electric conductivity (σ) and relative premittivity (epsilon) of polycrystalline samples of NaHCO3 as a function of temperature in the interval 300 < T < 400 K reveal the existence of a structural phase transition around 365 K. Differential thermal analysis (DTA) and thermogravimetric analysis (TGA) were also performed in the same temperature range. The (DTA) results confirm the existence of a structural phase transition at cong 365 K whereas the (TGA) results show the absence of any actual loss in weight in the transition temperature region. The data are correlated to the crystal structure including the hydrogen bonding system.

Thermal rejuvenation in metallic glasses

NASA Astrophysics Data System (ADS)

Saida, Junji; Yamada, Rui; Wakeda, Masato; Ogata, Shigenobu

2017-12-01

Structural rejuvenation in metallic glasses by a thermal process (i.e. through recovery annealing) was investigated experimentally and theoretically for various alloy compositions. An increase in the potential energy, a decrease in the density, and a change in the local structure as well as mechanical softening were observed after thermal rejuvenation. Two parameters, one related to the annealing temperature, Ta/Tg, and the other related to the cooling rate during the recovery annealing process, Vc/Vi, were proposed to evaluate the rejuvenation phenomena. A rejuvenation map was constructed using these two parameters. Since the thermal history of metallic glasses is reset above 1.2Tg, accompanied by a change in the local structure, it is essential that the condition of Ta/Tg ≥ 1.2 is satisfied during annealing. The glassy structure transforms into a more disordered state with the decomposition of icosahedral short-range order within this temperature range. Therefore, a new glassy structure (rejuvenation) depending on the subsequent quenching rate is generated. Partial rejuvenation also occurs in a Zr55Al10Ni5Cu30 bulk metallic glass when annealing is performed at a low temperature (Ta/Tg 1.07) followed by rapid cooling. This behavior probably originates from disordering in the weakly bonded (loosely packed) region. This study provides a novel approach to improving the mechanical properties of metallic glasses by controlling their glassy structure.

Phonon anharmonicity of monoclinic zirconia and yttrium-stabilized zirconia

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

Li, Chen W.; Smith, Hillary L.; Lan, Tian

2015-04-13

Inelastic neutron scattering measurements on monoclinic zirconia (ZrO 2) and 8 mol% yttrium-stabilized zirconia were performed at temperatures from 300 to 1373 ωK. We reported temperature-dependent phonon densities of states (DOS) and Raman spectra obtained at elevated temperatures. First-principles lattice dynamics calculations with density functional theory gave total and partial phonon DOS curves and mode Grüneisen parameters. These mode Grüneisen parameters were used to predict the experimental temperature dependence of the phonon DOS with partial success. However, substantial anharmonicity was found at elevated temperatures, especially for phonon modes dominated by the motions of oxygen atoms. Yttrium-stabilized zirconia (YSZ) was somewhatmore » more anharmonic and had a broader phonon spectrum at low temperatures, owing in part to defects in its structure. YSZ also has a larger vibrational entropy than monoclinic zirconia.« less

Negative thermal expansion and anomalies of heat capacity of LuB 50 at low temperatures

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

Novikov, V. V.; Zhemoedov, N. A.; Matovnikov, A. V.

2015-07-20

Heat capacity and thermal expansion of LuB 50 boride were experimentally studied in the 2–300 K temperature range. The data reveal an anomalous contribution to the heat capacity at low temperatures. The value of this contribution is proportional to the first degree of temperature. It was identified that this anomaly in heat capacity is caused by the effect of disorder in the LuB 50 crystalline structure and it can be described in the soft atomic potential model (SAP). The parameters of the approximation were determined. The temperature dependence of LuB 50 heat capacity in the whole temperature range was approximatedmore » by the sum of SAP contribution, Debye and two Einstein components. The parameters of SAP contribution for LuB 50 were compared to the corresponding values for LuB 66, which was studied earlier. Negative thermal expansion at low temperatures was experimentally observed for LuB 50. The analysis of the experimental temperature dependence for the Gruneisen parameter of LuB 50 suggested that the low-frequency oscillations, described in SAP mode, are responsible for the negative thermal expansion. As a result, the glasslike character of the behavior of LuB 50 thermal characteristics at low temperatures was confirmed.« less

Micrometer-sized Water Ice Particles for Planetary Science Experiments: Influence of Surface Structure on Collisional Properties

NASA Astrophysics Data System (ADS)

Gaertner, Sabrina; Gundlach, Bastian; Headen, Thomas F.; Ratte, Judy; Oesert, Joachim; Gorb, Stanislav N.; Youngs, Tristan G. A.; Bowron, Daniel T.; Blum, Jürgen; Fraser, Helen

2018-06-01

Models and observations suggest that particle aggregation at and beyond the snowline is aided by water ice. As icy particles play such a crucial role in the earliest stages of planet formation, many laboratory studies have exploited their collisional properties across a wide range of parameters (particle size, impact velocity, temperature T, and pressure P).However, not all of these parameters have always been varied systematically, leading to apparently contradictory results on collision outcomes. Previous experiments only agreed that a temperature dependence set in above ≈210 K. Open questions remain as to what extent the structural properties of the particles themselves dictate collision outcomes. The P–T gradients in protoplanetary disks mean that the ices are constantly processed, undergoing phase changes between different solid phases and the gas phase. To understand how effectively collision experiments reproduce protoplanetary disk conditions, environmental impacts on particle structure need to be investigated.We characterized the bulk and surface structure of icy particles used in collision experiments, exploiting the unique capabilities of the NIMROD neutron scattering instrument. Varying temperature at a constant pressure of around 30 mbar, we studied structural alterations to determine which of the observed properties matches the temperature dependencies observed in collisional behaviour.Our icy grains are formed under liquid nitrogen and heated from 103 to 247 K. As a result, they undergo changes in the crystalline ice-phase, sublimation, sintering and surface pre-melting. An increase in the thickness of the diffuse surface layer from ≈10 to ≈30 Å (≈2.5 to 12 bilayers) suggests increased molecular mobility at temperatures above ≈210 K.Because none of the other changes ties in with the temperature trends in collisional outcomes, we conclude that the diffuse interface plays a key role in collision experiments at these temperatures. Consequently, the P–T environment may have a larger influence on collision outcomes than previously thought.

Structural and interaction parameters of thermosensitive native α-elastin biohybrid microgel

NASA Astrophysics Data System (ADS)

Balaceanu, Andreea; Singh, Smriti; Demco, Dan E.; Möller, Martin

2014-09-01

The structural and water interaction parameters for native, α-elastin biohybrid microgel crosslinked with hydrophilic and hydrophobic crosslinkers are obtained from the volume phase transition temperature behaviour, 1H high-resolution magic-angle sample spinning transverse magnetization relaxation NMR, and modified Flory-Rehner swelling theory. Firstly, considering a homogeneous morphology the number of subchains in the biohybrid microgel, the residual water in deswollen state as a function of crosslink density and the temperature dependence of the Flory biopolymer-water interaction parameters are reported for the biohybrid microgels prepared with hydrophilic (PEG-DGE) and hydrophobic (BS3) crosslinkers. The Flory-Rehner classical approach is subsequently modified taking into account the heterogeneities observed by NMR transverse relaxation measurements. Two differently mobile regions are determined, a hydrophobic domain and a crosslinking domain with relative reduced mobility. For the first time, the influence of chain mobility on the Flory interaction parameter is investigated through a modified Flory state equation. The contributions of amino-acids located in the hydrophobic and crosslinking domains in the polypeptide sequence are separated while analyzing the biopolymer-water interaction.

Parameters of Models of Structural Transformations in Alloy Steel Under Welding Thermal Cycle

NASA Astrophysics Data System (ADS)

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

2017-05-01

A mathematical model of structural transformations in an alloy steel under the thermal cycle of multipass welding is suggested for computer implementation. The minimum necessary set of parameters for describing the transformations under heating and cooling is determined. Ferritic-pearlitic, bainitic and martensitic transformations under cooling of a steel are considered. A method for deriving the necessary temperature and time parameters of the model from the chemical composition of the steel is described. Published data are used to derive regression models of the temperature ranges and parameters of transformation kinetics in alloy steels. It is shown that the disadvantages of the active visual methods of analysis of the final phase composition of steels are responsible for inaccuracy and mismatch of published data. The hardness of a specimen, which correlates with some other mechanical properties of the material, is chosen as the most objective and reproducible criterion of the final phase composition. The models developed are checked by a comparative analysis of computational results and experimental data on the hardness of 140 alloy steels after cooling at various rates.

Effect of Synthesis Parameter on Crystal Structures and Magnetic Properties of Magnesium Nickel Ferrite (Mg0.5Ni0.5Fe2O4) Nanoparticles

NASA Astrophysics Data System (ADS)

Maulia, R.; Putra, R. A.; Suharyadi, E.

2017-05-01

Mg0.5Ni0.5Fe2O4 nanoparticles have been successfully synthesized by using co-precipitation method and varying the synthesis parameter, i.e. synthesis temperature and NaOH concentration. X-ray Diffraction (XRD) pattern showed that nanoparticles have cubic spinel structures with an additional phase of γ-Fe2O3 and particle size varies within the range of 4.3 - 6.7 nm. This variation is due to the effect of various synthesis parameters. Transmission Electron Microscopy (TEM) image showed that the nanoparticles exhibited agglomeration. The observed diffraction ring from selected area electron diffraction showed that the sample was polycrystalline and confirmed the peak appearing in XRD. The coercivities showed an increasing trend with an increase in particle size from 44.7 Oe to 49.6 Oe for variation of NaOH concentration, and a decreasing trend with an increase in particle size from 46.8 to 45.1 Oe for variation of synthesis temperature. The maximum magnetization showed an increasing trend with an increase in the ferrite phase from 3.7 emu/g to 5.4 emu/g possessed in the sample with variations on NaOH concentration. The maximum magnetization for the sample with variations on synthesis temperature varied from 4.4 emu/g to 5.7 emu/g due to its crystal structures.

High pressure/temperature equation of state of gold-silver alloys

NASA Astrophysics Data System (ADS)

Evans, W. J.; Jenei, Zs.; Sinogeikin, S. V.; Yang, W.; Shebanova, O.

2010-03-01

It has been reported previously (McKeehan Phys.Rev. 20 p424) that gold-silver alloys crystallize in face centered cubic structures, like their constituant pure elements and the cell parameter of the alloy has a linear relationship with the ratios of Ag/Au in the alloy. We investigate the high-pressure/temperature behavior of gold-silver alloys with different Au/Ag ratios. Powder x-ray diffraction experiments performed at HPCAT/Advanced Photon Source confirm the stability of the alloy's fcc structure to pressures/temperatures exceeding 100 GPa/1000 K. We will present isothermal EOS of the alloys from ambient temperature up to 1000 K, discuss the thermal expansion and its variation with pressure.

Calibration test of the temperature and strain sensitivity coefficient in regional reference grating method

NASA Astrophysics Data System (ADS)

Wu, Jing; Huang, Junbing; Wu, Hanping; Gu, Hongcan; Tang, Bo

2014-12-01

In order to verify the validity of the regional reference grating method in solve the strain/temperature cross sensitive problem in the actual ship structural health monitoring system, and to meet the requirements of engineering, for the sensitivity coefficients of regional reference grating method, national standard measurement equipment is used to calibrate the temperature sensitivity coefficient of selected FBG temperature sensor and strain sensitivity coefficient of FBG strain sensor in this modal. And the thermal expansion sensitivity coefficient of the steel for ships is calibrated with water bath method. The calibration results show that the temperature sensitivity coefficient of FBG temperature sensor is 28.16pm/°C within -10~30°C, and its linearity is greater than 0.999, the strain sensitivity coefficient of FBG strain sensor is 1.32pm/μɛ within -2900~2900μɛ whose linearity is almost to 1, the thermal expansion sensitivity coefficient of the steel for ships is 23.438pm/°C within 30~90°C, and its linearity is greater than 0.998. Finally, the calibration parameters are used in the actual ship structure health monitoring system for temperature compensation. The results show that the effect of temperature compensation is good, and the calibration parameters meet the engineering requirements, which provide an important reference for fiber Bragg grating sensor is widely used in engineering.

Structural versus electrical properties of an organic-inorganic hybrid material based on sulfate

NASA Astrophysics Data System (ADS)

Ben Rached, Asma; Guionneau, Philippe; Lebraud, Eric; Mhiri, Tahar; Elaoud, Zakaria

2017-01-01

A new organo-sulfate compound is obtained by slow evaporation at room temperature and is characterized by powder and single-crystal X-ray diffraction (XRD) at variable temperatures. The benzylammonium monohydrogenosulfate of formula C6H5CH2NH3+. HSO4-, denoted (BAS), crystallizes in the monoclinic system P21/c space group with the following parameters at room temperature: a=5.623(5)Å, b=20.239(5) Å, c=8.188(5)Å, β=94.104(5)°. The crystal structure consists of infinite parallel two-dimensional planes built by HSO4- anions and C6H5CH2NH3+ cations interconnected by strong O-H….. O and N-H….. O hydrogen bonds. A phase transition is detected at 350 K by differential scanning calorimetry (DSC) and confirmed by powder XRD. Conductivity measurements using the impedance spectroscopy technique allow to determine the conductivity relaxation parameters associated with the H+ conduction from an analysis of the M"/M"max spectrum measured in a wide temperature range. Transport properties of this material appear to be due to an H+ ion hopping mechanism.

Metallic coatings of microelectromechanical structures at low temperatures: Stress, elasticity, and nonlinear dissipation

NASA Astrophysics Data System (ADS)

Collin, E.; Kofler, J.; Lakhloufi, S.; Pairis, S.; Bunkov, Yu. M.; Godfrin, H.

2010-06-01

We present mechanical measurements performed at low temperatures on cantilever-based microelectromechanical structures coated with a metallic layer. Two very different coatings are presented in order to illustrate the capabilities of the present approach, namely (soft) aluminum and (hard) niobium oxide. The temperature is used as a control parameter to access materials properties. We benefit from low temperature techniques to extract a phase-resolved measurement of the first mechanical resonance mode in cryogenic vacuum. By repeating the experiment on the same samples, after multiple metallic depositions, we can determine accurately the contribution of the coating layers to the mechanical properties in terms of surface stress, additional mass, additional elasticity, and damping. Analytic theoretical expressions are derived and used to fit the data. Taking advantage of the extremely broad dynamic range provided by the technique, we can measure the anelasticity of the thin metallic film. The key parameters describing the metals' dynamics are analyzed in an original way in order to provide new experimental grounds for future theoretical modelings of the underlying mechanisms.

Effect of injection parameters on mechanical and physical properties of super ultra-thin wall propylene packaging by Taguchi method

NASA Astrophysics Data System (ADS)

Ginghtong, Thatchanok; Nakpathomkun, Natthapon; Pechyen, Chiravoot

2018-06-01

The parameters of the plastic injection molding process have been investigated for the manufacture of a 64 oz. ultra-thin polypropylene bucket. The 3 main parameters, such as injection speed, melting temperature, holding pressure, were investigated to study their effect on the physical appearance and compressive strength. The orthogonal array of Taguchi's L9 (33) was used to carry out the experimental plan. The physical properties were measured and the compressive strength was determined using linear regression analysis. The differential scanning calorimeter (DSC) was used to analyze the crystalline structure of the product. The optimization results show that the proposed approach can help engineers identify optimal process parameters and achieve competitive advantages of energy consumption and product quality. In addition, the injection molding of the product includes 24 mm of shot stroke, 1.47 mm position transfer, 268 rpm screw speed, injection speed 100 mm/s, 172 ton clamping force, 800 kgf holding pressure, 0.9 s holding time and 1.4 s cooling time, make the products in the shape and proportion of the product satisfactory. The parameters of influence are injection speed 71.07%, melting temperature 23.31% and holding pressure 5.62%, respectively. The compressive strength of the product was able to withstand a pressure of up to 839 N before the product became plastic. The low melting temperature was caused by the superior crystalline structure of the super-ultra-thin wall product which leads to a lower compressive strength.

Influence of pH Adjustment Parameter for Sol-Gel Modification on Structural, Microstructure, and Magnetic Properties of Nanocrystalline Strontium Ferrite

NASA Astrophysics Data System (ADS)

Azis, Raba'ah Syahidah; Sulaiman, Sakinah; Ibrahim, Idza Riati; Zakaria, Azmi; Hassan, Jumiah; Muda, Nor Nadhirah Che; Nazlan, Rodziah; Saiden, Norlaily M.; Fen, Yap Wing; Mustaffa, Muhammad Syazwan; Matori, Khamirul Amin

2018-05-01

Synthesis of nanocrystalline strontium ferrite (SrFe12O19) via sol-gel is sensitive to its modification parameters. Therefore, in this study, an attempt of regulating the pH as a sol-gel modification parameter during preparation of SrFe12O19 nanoparticles sintered at a low sintering temperature of 900 °C has been presented. The relationship of varying pH (pH 0 to 8) on structural, microstructures, and magnetic behaviors of SrFe12O19 nanoparticles were characterized by X-ray diffraction (XRD), field emission scanning microscope (FESEM), and vibrating sample magnetometer (VSM). Varying the pH of precursor exhibited a strong effect on the sintered density, crystal structure and magnetic properties of the SrFe12O19 nanoparticles. As the pH is 0, the SrFe12O19 produced relatively largest density, saturation magnetization, M s, and coercivity, H c, at a low sintering temperature of 900 °C. The grain size of SrFe12O19 is obtained in the range of 73.6 to 133.3 nm. The porosity of the sample affected the density and the magnetic properties of the SrFe12O19 ferrite. It is suggested that the low-temperature sintered SrFe12O19 at pH 0 displayed M s of 44.19 emu/g and H c of 6403.6 Oe, possessing a significant potential for applying in low-temperature co-fired ceramic permanent magnet.

A size dependent dynamic model for piezoelectric nanogenerators: effects of geometry, structural and environmental parameters

NASA Astrophysics Data System (ADS)

Sadeghzadeh, Sadegh; Farshad Mir Saeed Ghazi, Seyyed

2018-03-01

Piezoelectric Nanogenerator (PENG) is one of the novel energy harvester systems that recently, has been a subject of interest for researchers. By the use of nanogenerators, it’s possible to harvest different forms of energy in the environment like mechanical vibrations and generate electricity. The structure of a PENG consists of vertical arrays of nanowires between two electrodes. In this paper, dynamic analysis of a PENG is studied numerically. The modified couple stress theory which includes one length scale material parameter is used to study the size-dependent behavior of PENGs. Then, by application of a complete form of linear hybrid piezoelectric—pyroelectric equations, and using the Euler-Bernoulli beam model, the equations of motion has been derived. Generalized Differential Quadrature (GDQ) method was employed to solve the equations of motion. The effect of damping ratio, temperature rise, excitation frequency and length scale parameter was studied. It was found that the PENG voltage maximizes at the resonant frequency of nanowire. The temperature rise has a significant effect on PENG’s efficiency. When temperature increases about 10 {{K}}, the maximum voltage increases about 26%. Increasing the damping ratio, the maximum voltage decreases gradually.

Optimization of process parameters for RF sputter deposition of tin-nitride thin-films

NASA Astrophysics Data System (ADS)

Jangid, Teena; Rao, G. Mohan

2018-05-01

Radio frequency Magnetron sputtering technique was employed to deposit Tin-nitride thin films on Si and glass substrate at different process parameters. Influence of varying parameters like substrate temperature, target-substrate distance and RF power is studied in detail. X-ray diffraction method is used as a key technique for analyzing the changes in the stoichiometric and structural properties of the deposited films. Depending on the combination of deposition parameters, crystalline as well as amorphous films were obtained. Pure tin-nitride thin films were deposited at 15W RF power and 600°C substrate temperature with target-substrate distance fixed at 10cm. Bandgap value of 1.6 eV calculated for the film deposited at optimum process conditions matches well with reported values.

Temperature and pressure correlation for volume of gas hydrates with crystal structures sI and sII

NASA Astrophysics Data System (ADS)

Vinš, Václav; Jäger, Andreas; Hielscher, Sebastian; Span, Roland; Hrubý, Jan; Breitkopf, Cornelia

The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268-281], focused on the modeling of pure gas hydrates relevant in CCS (carbon capture and storage), were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. A two-stage Levenberg Marquardt algorithm was employed for the parameter optimization. The pressure dependence described in terms of the bulk modulus remained unchanged compared to the original study. A constant value for the bulk modulus B0 = 10 GPa was employed for all selected hydrate formers. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. Compared to the original correlation used for the modeling of pure gas hydrates the new correlation provides significantly better agreement with the experimental data for sI hydrates. The results of the new correlation are comparable to the results of the old correlation in case of sII hydrates. In addition, the new correlation is suitable for modeling of mixed hydrates.

Impact of the calibration period on the conceptual rainfall-runoff model parameter estimates

NASA Astrophysics Data System (ADS)

Todorovic, Andrijana; Plavsic, Jasna

2015-04-01

A conceptual rainfall-runoff model is defined by its structure and parameters, which are commonly inferred through model calibration. Parameter estimates depend on objective function(s), optimisation method, and calibration period. Model calibration over different periods may result in dissimilar parameter estimates, while model efficiency decreases outside calibration period. Problem of model (parameter) transferability, which conditions reliability of hydrologic simulations, has been investigated for decades. In this paper, dependence of the parameter estimates and model performance on calibration period is analysed. The main question that is addressed is: are there any changes in optimised parameters and model efficiency that can be linked to the changes in hydrologic or meteorological variables (flow, precipitation and temperature)? Conceptual, semi-distributed HBV-light model is calibrated over five-year periods shifted by a year (sliding time windows). Length of the calibration periods is selected to enable identification of all parameters. One water year of model warm-up precedes every simulation, which starts with the beginning of a water year. The model is calibrated using the built-in GAP optimisation algorithm. The objective function used for calibration is composed of Nash-Sutcliffe coefficient for flows and logarithms of flows, and volumetric error, all of which participate in the composite objective function with approximately equal weights. Same prior parameter ranges are used in all simulations. The model is calibrated against flows observed at the Slovac stream gauge on the Kolubara River in Serbia (records from 1954 to 2013). There are no trends in precipitation nor in flows, however, there is a statistically significant increasing trend in temperatures at this catchment. Parameter variability across the calibration periods is quantified in terms of standard deviations of normalised parameters, enabling detection of the most variable parameters. Correlation coefficients among optimised model parameters and total precipitation P, mean temperature T and mean flow Q are calculated to give an insight into parameter dependence on the hydrometeorological drivers. The results reveal high sensitivity of almost all model parameters towards calibration period. The highest variability is displayed by the refreezing coefficient, water holding capacity, and temperature gradient. The only statistically significant (decreasing) trend is detected in the evapotranspiration reduction threshold. Statistically significant correlation is detected between the precipitation gradient and precipitation depth, and between the time-area histogram base and flows. All other correlations are not statistically significant, implying that changes in optimised parameters cannot generally be linked to the changes in P, T or Q. As for the model performance, the model reproduces the observed runoff satisfactorily, though the runoff is slightly overestimated in wet periods. The Nash-Sutcliffe efficiency coefficient (NSE) ranges from 0.44 to 0.79. Higher NSE values are obtained over wetter periods, what is supported by statistically significant correlation between NSE and flows. Overall, no systematic variations in parameters or in model performance are detected. Parameter variability may therefore rather be attributed to errors in data or inadequacies in the model structure. Further research is required to examine the impact of the calibration strategy or model structure on the variability in optimised parameters in time.

Monte Carlo study of one-dimensional confined fluids with Gay-Berne intermolecular potential

NASA Astrophysics Data System (ADS)

Moradi, M.; Hashemi, S.

2011-11-01

The thermodynamic quantities of a one dimensional system of particles with Gay-Berne model potential confined between walls have been obtained by means of Monte Carlo computer simulations. For a number of temperatures, the systems were considered and their density profiles, order parameter, pressure, configurational temperature and average potential energy per particle are reported. The results show that by decreasing the temperature, the soft particles become more ordered and they align to the walls and also they don't show any tendency to be near the walls at very low temperatures. We have also changed the structure of the walls by embedding soft ellipses in them, this change increases the total density near the wall whereas, increasing or decreasing the order parameter depend on the angle of embedded ellipses.

Dependence of average inter-particle distance upon the temperature of neutrals in dusty plasma crystals

NASA Astrophysics Data System (ADS)

Nikolaev, V. S.; Timofeev, A. V.

2018-01-01

It is often suggested that inter-particle distance in stable dusty plasma structures decreases with cooling as a square root of neutral gas temperature. Deviations from this dependence (up to the increase at cryogenic temperatures) found in the experimental results for the pressures range 0.1-8.0 mbar and for the currents range 0.1-1.0 mA are given. Inter-particle distance dependences on the charge of particles, parameter of the trap and the screening length in surrounding plasma are obtained for different conditions from molecular dynamics simulations. They are well approximated by power functions in the mentioned range of parameters. It is found that under certain assumptions thermophoretical force is responsible for inter-particle distance increase at cryogenic temperatures.

Annealing Temperature Dependent Structural and Optical Properties of RF Sputtered ZnO Thin Films.

PubMed

Sharma, Shashikant; Varma, Tarun; Asokan, K; Periasamy, C; Boolchandani, Dharmendar

2017-01-01

This work investigates the effect of annealing temperature on structural and optical properties of ZnO thin films grown over Si 100 and glass substrates using RF sputtering technique. Annealing temperature has been varied from 300 °C to 600 °C in steps of 100, and different microstructural parameters such as grain size, dislocation density, lattice constant, stress and strain have been evaluated. The structural and surface morphological characterization has been done using X-ray Diffraction (XRD) and Scanning Electron Microscope (SEM). XRD analysis reveals that the peak intensity of 002 crystallographic orientation increases with increased annealing temperature. Optical characterization of deposited films have been done using UV-Vis-NIR spectroscopy and photoluminescence spectrometer. An increase in optical bandgap of deposited ZnO thin films with increasing annealing temperature has been observed. The average optical transmittance was found to be more than 85% for all deposited films. Photoluminiscense spectra (PL) suggest that the crystalline quality of deposited film has increased at higher annealing temperature.

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.

Anomalous Structural Disorder in Supported Pt Nanoparticles

DOE PAGES

Vila, Fernando D.; Rehr, John J.; Nuzzo, Ralph G.; ...

2017-07-02

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show in this paper that a full interpretation is more complex and that the DFT/MD mean-square relative displacements (MSRD) can be further separated into vibrational disorder, “dynamic structural disorder” (DSD), and long-time equilibrium fluctuations of the structure dubbed “anomalous structural disorder” (ASD). We find that the vibrational and DSD components behave normally, increasing linearly with temperature while the ASD decreases, reflecting themore » evolution of mean nanoparticle geometry. Finally, as a consequence the usual procedure of fitting the MSRD to normal vibrations plus temperature-independent static disorder results in unphysical bond strengths and Grüneisen parameters.« less

Switchable Scattering Meta-Surfaces for Broadband Terahertz Modulation

PubMed Central

Unlu, M.; Hashemi, M. R.; Berry, C. W.; Li, S.; Yang, S.-H.; Jarrahi, M.

2014-01-01

Active tuning and switching of electromagnetic properties of materials is of great importance for controlling their interaction with electromagnetic waves. In spite of their great promise, previously demonstrated reconfigurable metamaterials are limited in their operation bandwidth due to their resonant nature. Here, we demonstrate a new class of meta-surfaces that exhibit electrically-induced switching in their scattering parameters at room temperature and over a broad range of frequencies. Structural configuration of the subwavelength meta-molecules determines their electromagnetic response to an incident electromagnetic radiation. By reconfiguration of the meta-molecule structure, the strength of the induced electric field and magnetic field in the opposite direction to the incident fields are varied and the scattering parameters of the meta-surface are altered, consequently. We demonstrate a custom-designed meta-surface with switchable scattering parameters at a broad range of terahertz frequencies, enabling terahertz intensity modulation with record high modulation depths and modulation bandwidths through a fully integrated, voltage-controlled device platform at room temperature. PMID:25028123

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

Xie, Haixia; Li, Bo; Huang, Zhenghua

How the solar corona is heated to high temperatures remains an unsolved mystery in solar physics. In the present study we analyze observations of 50 whole active region loops taken with the Extreme-ultraviolet Imaging Spectrometer on board the Hinode satellite. Eleven loops were classified as cool loops (<1 MK) and 39 as warm loops (1–2 MK). We study their plasma parameters, such as densities, temperatures, filling factors, nonthermal velocities, and Doppler velocities. We combine spectroscopic analysis with linear force-free magnetic field extrapolation to derive the 3D structure and positioning of the loops, their lengths and heights, and the magnetic fieldmore » strength along the loops. We use density-sensitive line pairs from Fe xii, Fe xiii, Si x, and Mg vii ions to obtain electron densities by taking special care of intensity background subtraction. The emission measure loci method is used to obtain the loop temperatures. We find that the loops are nearly isothermal along the line of sight. Their filling factors are between 8% and 89%. We also compare the observed parameters with the theoretical Rosner–Tucker–Vaiana (RTV) scaling law. We find that most of the loops are in an overpressure state relative to the RTV predictions. In a follow-up study, we will report a heating model of a parallel-cascade-based mechanism and will compare the model parameters with the loop plasma and structural parameters derived here.« less

Effect of High Pressure and Temperature on Structural, Thermodynamic and Thermoelectric Properties of Quaternary CoFeCrAl Alloy

NASA Astrophysics Data System (ADS)

Bhat, Tahir Mohiuddin; Gupta, Dinesh C.

2018-03-01

Employing first-principles based on density functional theory we have investigated the structural, magneto-electronic, thermoelectric and thermodynamic properties of quaternary Heusler alloy CoFeCrAl. Electronic band structure displays that CoFeCrAl is an indirect band gap semiconductor in spin-down state with the band gap value of 0.65 eV. Elastic constants reveal CoFeCrAl is a mechanically stable structure having a Debye temperature of 648 K along with a high melting temperature (2130 K). The thermoelectric properties in the temperature range 50-800 K have been calculated. CoFeCrAl possesses a high Seebeck coefficient of - 46 μV/K at room temperature along with the huge power factor of ˜ 4.8 (1012 μW cm-1 K-2 s-1) which maximizes the figure-of-merit up to ˜ 0.75 at 800 K temperature and suggesting CoFeCrAl as potential thermoelectric material. The effect of high pressure and high temperature on the thermal expansion, Grüneisen parameter and heat capacity were also studied by using the quasi-harmonic Debye model.

Temperature-dependent μ-Raman investigation of struvite crystals.

PubMed

Prywer, Jolanta; Kasprowicz, D; Runka, T

2016-04-05

The effect of temperature on the vibrational properties of struvite crystals grown from silica gels was systematically studied by μ-Raman spectroscopy. The time-dependent Raman spectra recorded in the process of long time annealing of struvite crystal at 353 K do not indicate structural changes in the struvite crystal with the time of annealing. The temperature-dependent Raman spectra recorded in the range 298-423 K reveal a phase transition in struvite at about 368 K. Above this characteristic temperature, some of bands assigned to vibrations of the PO4 and NH4 tetrahedra and water molecules observed in the Raman spectra in low temperatures (orthorhombic phase) change their spectral parameters or disappear, which indicates a transition to a higher symmetry structure of struvite in the range of high temperatures. Copyright © 2016 Elsevier B.V. All rights reserved.

Enantioseparation of angiotensin II receptor type 1 blockers: evaluation of 6-substituted carbamoyl benzimidazoles on immobilized polysaccharide-based chiral stationary phases. Unusual temperature behavior.

PubMed

Su, Ran; Hou, Zhun; Sang, Lihong; Zhou, Zhi-Ming; Fang, Hao; Yang, Xinying

2017-09-15

Enantioseparation of thirteen 6-substituted carbamoyl benzimidazoles by high-performance liquid chromatography (HPLC) was investigated using two immobilized polysaccharide-based chiral stationary phases (CSPs), Chiralpak IC and Chiralpak IA, in normal-phase mode. Most of the examined compounds were completely resolved. The effects of a polar alcohol modifier, analyte structure, and column temperature on the chiral recognition were investigated. Furthermore, the structure-retention relationship was evaluated, and thermodynamic parameters were calculated from plots of ln k' or ln α versus 1/T. The thermodynamic parameters indicated that the separations were enthalpy-driven. Moreover, nonlinear van't Hoff plots were obtained on Chiralpak IA. However, two unusual phenomena were observed: (1) an unusual increase in retention with increasing temperature with linear van't Hoff plots on Chiralpak IC and (2) an extremely high T iso value (i.e., several thousand degrees centigrade). Copyright © 2017 Elsevier B.V. All rights reserved.

Three dimensional dust-acoustic solitary waves in an electron depleted dusty plasma with two-superthermal ion-temperature

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

Borhanian, J.; Shahmansouri, M.

2013-01-15

A theoretical investigation is carried out to study the existence and characteristics of propagation of dust-acoustic (DA) waves in an electron-depleted dusty plasma with two-temperature ions, which are modeled by kappa distribution functions. A three-dimensional cylindrical Kadomtsev-Petviashvili equation governing evolution of small but finite amplitude DA waves is derived by means of a reductive perturbation method. The influence of physical parameters on solitary wave structure is examined. Furthermore, the energy integral equation is used to study the existence domains of the localized structures. It is found that the present model can be employed to describe the existence of positive asmore » well as negative polarity DA solitary waves by selecting special values for parameters of the system, e.g., superthermal index of cold and/or hot ions, cold to hot ion density ratio, and hot to cold ion temperature ratio. This model may be useful to understand the excitation of nonlinear DA waves in astrophysical objects.« less

The effects of intrinsic properties and defect structures on the indentation size effect in metals

NASA Astrophysics Data System (ADS)

Maughan, Michael R.; Leonard, Ariel A.; Stauffer, Douglas D.; Bahr, David F.

2017-08-01

The indentation size effect has been linked to the generation of geometrically necessary dislocations that may be impacted by intrinsic materials properties, such as stacking fault energy, and extrinsic defects, such as statistically stored dislocations. Nanoindentation was carried out at room temperature and elevated temperatures on four different metals in a variety of microstructural conditions. A size effect parameter was determined for each material set combining the effects of temperature and existing dislocation structure. Extrinsic defects, particularly dislocation density, dominate the size effect parameter over those due to intrinsic properties such as stacking fault energy. A multi-mechanism description using a series of mechanisms, rather than a single mechanism, is presented as a phenomenological explanation for the observed size effect in these materials. In this description, the size effect begins with a volume scale dominated by sparse sources, next is controlled by the ability of dislocations to cross-slip and multiply, and then finally at larger length scales work hardening and recovery dominate the effect.

High-performance liquid chromatographic enantioseparation of monoterpene-based 2-amino carboxylic acids on macrocyclic glycopeptide-based phases.

PubMed

Sipos, László; Ilisz, István; Pataj, Zoltán; Szakonyi, Zsolt; Fülöp, Ferenc; Armstrong, Daniel W; Péter, Antal

2010-10-29

The enantiomers of five monoterpene-based 2-amino carboxylic acids were directly separated on chiral stationary phases containing macrocyclic glycopeptide antibiotics such as teicoplanin (Astec Chirobiotic T and T2) and teicoplanin aglycone (Chirobiotic TAG) as chiral selectors. The effects of pH, the mobile phase composition, the structure of the analyte and temperature on the separations were investigated. Experiments were performed at constant mobile phase compositions in the temperature range 10-40°C to study the effects of temperature and thermodynamic parameters on separations. Apparent thermodynamic parameters and T(iso) values were calculated from plots of ln k or ln α versus 1/T. Some mechanistic aspects of the chiral recognition process are discussed with respect to the structures of the analytes. It was found that the enantioseparations were in most cases enthalpy driven. The sequence of elution of the enantiomers was determined in all cases. Copyright © 2010 Elsevier B.V. All rights reserved.

Role of Temperature and SiCP Parameters in Stability and Quality of Al-Si-Mg/SiC Foams

NASA Astrophysics Data System (ADS)

Ravi Kumar, N. V.; Gokhale, Amol A.

2018-06-01

Composites of Al-Si-Mg (A356) alloy with silicon carbide particles were synthesized in-house and foamed by melt processing using titanium hydride as foaming agent. The effects of the SiCP size and content, and foaming temperature on the stability and quality of the foam were explored. It was observed that the foam stability depended on the foaming temperature alone but not on the particle size or volume percent within the studied ranges. Specifically, foam stability was poor at 670°C. Among the stable foams obtained at 640°C, cell soundness (absence of/low defects, and collapse) was seen to vary depending on the particle size and content; For example, for finer size, lower particle contents were sufficient to obtain sound cell structure. It is possible to determine a foaming process window based on material and process parameters for good expansion, foam stability, and cell structure.

Effect of Ce-substitution on structural, morphological, magnetic and DC electrical resistivity of Co-ferrite materials

NASA Astrophysics Data System (ADS)

Mammo, Tulu Wegayehu; Murali, N.; Sileshi, Yonatan Mulushoa; Arunamani, T.

2018-02-01

Partially substituted spinel structured CoFe2-xCexO4 (x = 0, 0.03, 0.06, and 0.09) samples have been synthesized using the sol-gel autocombustion route. Stoichiometric amounts of metal nitrates and citric acid were mixed in double distilled water to get homogeneously mixed solutions which were then heated to burn and result in samples for the next two-step annealing procedures. Structural and phase characterization using powder X-ray diffraction (XRD) has been carried out; and a pure spinel structured samples with lattice parameters increasing with the increase of Ce concentration levels have been obtained. The lattice parameters were calculated to be in the range of 8.42774-8.4744 Å. Field emission scanning electron microscopy (FESEM) microstructure characterizations revealed clear grain structures of the so synthesized samples with grain sizes decreasing with Ce. Fourier transform Infrared (FT-IR) characterization measured in the wave number ranges of 400-4000 cm-1 showed the cation vibrations and stretching at characteristic frequency of 668-418 cm-1. The DC resistivity measurements confirmed a decrease in the resistivity of the samples with the increase of Ce concentration and with the increase of temperature in all of the samples synthesized. Room temperature vibrating sample magnetometer measurement revealed the magnetic properties of the samples with decreasing magnetic parameters as Ce concentration increases.

An integrated study of thermal treatment effects on the microstructure and magnetic properties of Zn-ferrite nanoparticles

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

Antic, Bratislav; Perovic, Marija; Kremenovic, Aleksandar

2015-09-30

The evolution of the magnetic state, crystal structure and microstructure parameters of nanocrystalline zinc–ferrite, tuned by thermal annealing of ~4 nm nanoparticles, was systematically studied by complementary characterization methods. Structural analysis of neutron and synchrotron x-ray radiation data revealed a mixed cation distribution in the nanoparticle samples, with the degree of inversion systematically decreasing from 0.25 in an as-prepared nanocrystalline sample to a non-inverted spinel structure with a normal cation distribution in the bulk counterpart. The results of DC magnetization and Mossbauer spectroscopy experiments indicated a superparamagnetic relaxation in ~4 nm nanoparticles, albeit with different freezing temperatures T f ofmore » 27.5 K and 46 K, respectively. The quadrupole splitting parameter decreases with the annealing temperature due to cation redistribution between the tetrahedral and octahedral sites of the spinel structure and the associated defects. DC magnetization measurements indicated the existence of significant interparticle interactions among nanoparticles (‘superspins’). Additional confirmation for the presence of interparticle interactions was found from the fit of the T f(H) dependence to the AT line, from which a value of the anisotropy constant of K eff = 5.6 × 10 5 erg cm -3 was deduced. Further evidence for strong interparticle interactions was found from AC susceptibility measurements, where the frequency dependence of the freezing temperature T f(ƒ) was satisfactory described by both Vogel–Fulcher and dynamic scaling theory, both applicable for interacting systems. The parameters obtained from these fits suggest collective freezing of magnetic moments at T f .« less

Electrical transport via variable range hopping in an individual multi-wall carbon nanotube

NASA Astrophysics Data System (ADS)

Husain Khan, Zishan; Husain, M.; Perng, T. P.; Salah, Numan; Habib, Sami

2008-11-01

E-beam lithography is used to make four leads on an individual multi-wall carbon nanotube for carrying out electrical transport measurements. Temperature dependence of conductance of an individual multi-wall carbon nanotube (MWNT) is studied over a temperature range of (297 4.8 K). The results indicate that the conduction is governed by variable range hopping (VRH) for the entire temperature range (297 4.8 K). This VRH mechanism changes from three dimensions (3D) to two dimensions (2D) as we go down to 70 K. Three-dimensional variable range hopping (3D VRH) is responsible for conduction in the temperature range (297 70 K), which changes to two-dimensional VRH for much lower temperatures (70 4.8 K). For 3D VRH, various Mott parameters such as density of states, hopping distance and hopping energy have been calculated. The 2D VRH mechanism has been applied for the temperature range (70 4.8 K) and, with the help of this model, the parameters such as localization length and hopping distance are calculated. All these parameters give interesting information about this complex structure, which may be useful for many applications.

Boiling histotripsy lesion characterization on a clinical magnetic resonance imaging-guided high intensity focused ultrasound system

PubMed Central

Eranki, Avinash; Farr, Navid; Partanen, Ari; V. Sharma, Karun; Chen, Hong; Rossi, Christopher T.; Kothapalli, Satya V. V. N.; Oetgen, Matthew; Kim, AeRang; H. Negussie, Ayele; Woods, David; J. Wood, Bradford; C. W. Kim, Peter; S. Yarmolenko, Pavel

2017-01-01

Purpose High intensity focused ultrasound (HIFU) is a non-invasive therapeutic technique that can thermally ablate tumors. Boiling histotripsy (BH) is a HIFU approach that can emulsify tissue in a few milliseconds. Lesion volume and temperature effects for different BH sonication parameters are currently not well characterized. In this work, lesion volume, temperature distribution, and area of lethal thermal dose were characterized for varying BH sonication parameters in tissue-mimicking phantoms (TMP) and demonstrated in ex vivo tissues. Methods The following BH sonication parameters were varied using a clinical MR-HIFU system (Sonalleve V2, Philips, Vantaa, Finland): acoustic power, number of cycles/pulse, total sonication time, and pulse repetition frequency (PRF). A 3×3×3 pattern was sonicated inside TMP’s and ex vivo tissues. Post sonication, lesion volumes were quantified using 3D ultrasonography and temperature and thermal dose distributions were analyzed offline. Ex vivo tissues were sectioned and stained with H&E post sonication to assess tissue damage. Results Significant increase in lesion volume was observed while increasing the number of cycles/pulse and PRF. Other sonication parameters had no significant effect on lesion volume. Temperature full width at half maximum at the end of sonication increased significantly with all parameters except total sonication time. Positive correlation was also found between lethal thermal dose and lesion volume for all parameters except number of cycles/pulse. Gross pathology of ex vivo tissues post sonication displayed either completely or partially damaged tissue at the focal region. Surrounding tissues presented sharp boundaries, with little or no structural damage to adjacent critical structures such as bile duct and nerves. Conclusion Our characterization of effects of HIFU sonication parameters on the resulting lesion demonstrates the ability to control lesion morphologic and thermal characteristics with a clinical MR-HIFU system in TMP’s and ex vivo tissues. We demonstrate that this system can produce spatially precise lesions in both phantoms and ex vivo tissues. The results provide guidance on a preliminary set of BH sonication parameters for this system, with a potential to facilitate BH translation to the clinic. PMID:28301597

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

Vila, Fernando D.; Rehr, John J.; Nuzzo, Ralph G.

Supported Pt nanocatalysts generally exhibit anomalous behavior, including negative thermal expansion and large structural disorder. Finite temperature DFT/MD simulations reproduce these properties, showing that they are largely explained by a combination of thermal vibrations and low-frequency disorder. We show in this paper that a full interpretation is more complex and that the DFT/MD mean-square relative displacements (MSRD) can be further separated into vibrational disorder, “dynamic structural disorder” (DSD), and long-time equilibrium fluctuations of the structure dubbed “anomalous structural disorder” (ASD). We find that the vibrational and DSD components behave normally, increasing linearly with temperature while the ASD decreases, reflecting themore » evolution of mean nanoparticle geometry. Finally, as a consequence the usual procedure of fitting the MSRD to normal vibrations plus temperature-independent static disorder results in unphysical bond strengths and Grüneisen parameters.« less

The structure and photocatalytic activity of TiO2 thin films deposited by dc magnetron sputtering

NASA Astrophysics Data System (ADS)

Yang, W. J.; Hsu, C. Y.; Liu, Y. W.; Hsu, R. Q.; Lu, T. W.; Hu, C. C.

2012-12-01

This paper seeks to determine the optimal settings for the deposition parameters, for TiO2 thin film, prepared on non-alkali glass substrates, by direct current (dc) sputtering, using a ceramic TiO2 target in an argon gas environment. An orthogonal array, the signal-to-noise ratio and analysis of variance are used to analyze the effect of the deposition parameters. Using the Taguchi method for design of a robust experiment, the interactions between factors are also investigated. The main deposition parameters, such as dc power (W), sputtering pressure (Pa), substrate temperature (°C) and deposition time (min), were optimized, with reference to the structure and photocatalytic characteristics of TiO2. The results of this study show that substrate temperature and deposition time have the most significant effect on photocatalytic performance. For the optimal combination of deposition parameters, the (1 1 0) and (2 0 0) peaks of the rutile structure and the (2 0 0) peak of the anatase structure were observed, at 2θ ˜ 27.4°, 39.2° and 48°, respectively. The experimental results illustrate that the Taguchi method allowed a suitable solution to the problem, with the minimum number of trials, compared to a full factorial design. The adhesion of the coatings was also measured and evaluated, via a scratch test. Superior wear behavior was observed, for the TiO2 film, because of the increased strength of the interface of micro-blasted tools.

Electronic origin of structural transition in 122 Fe based superconductors

NASA Astrophysics Data System (ADS)

Ghosh, Haranath; Sen, Smritijit; Ghosh, Abyay

2017-03-01

Direct quantitative correlations between the orbital order and orthorhombicity is achieved in a number of Fe-based superconductors of 122 family. The former (orbital order) is calculated from first principles simulations using experimentally determined doping and temperature dependent structural parameters while the latter (the orthorhombicity) is taken from already established experimental studies; when normalized, both the above quantities quantitatively corresponds to each other in terms of their doping as well as temperature variations. This proves that the structural transition in Fe-based materials is electronic in nature due to orbital ordering. An universal correlations among various structural parameters and electronic structure are also obtained. Most remarkable among them is the mapping of two Fe-Fe distances in the low temperature orthorhombic phase, with the band energies Edxz, Edyz of Fe at the high symmetry points of the Brillouin zone. The fractional co-ordinate zAs of As which essentially determines anion height is inversely (directly) proportional to Fe-As bond distances (with exceptions of K doped BaFe2As2) for hole (electron) doped materials as a function of doping. On the other hand, Fe-As bond-distance is found to be inversely (directly) proportional to the density of states at the Fermi level for hole (electron) doped systems. Implications of these results to current issues of Fe based superconductivity are discussed.

A semiempirical model for interpreting microwave emission from semiarid land surfaces as seen from space

NASA Technical Reports Server (NTRS)

Kerr, Yann H.; Njoku, Eni G.

1990-01-01

A radiative-transfer model for simulating microwave brightness temperatures over land surfaces is described. The model takes into account sensor viewing conditions (spacecraft altitude, viewing angle, frequency, and polarization) and atmospheric parameters over a soil surface characterized by its moisture, roughness, and temperature and covered with a layer of vegetation characterized by its temperature, water content, single scattering albedo, structure, and percent coverage. In order to reduce the influence of atmospheric and surface temperature effects, the brightness temperatures are expressed as polarization ratios that depend primarily on the soil moisture and roughness, canopy water content, and percentage of cover. The sensitivity of the polarization ratio to these parameters is investigated. Simulation of the temporal evolution of the microwave signal over semiarid areas in the African Sahel is presented and compared to actual satellite data from the SMMR instrument on Nimbus-7.

Water vapour condensation in a partly closed structure. Comparison between results obtained with an inside wet or dry bottom wall

NASA Astrophysics Data System (ADS)

Batina, Jean; Peyrous, René

2018-04-01

We are interested in the determination of the more significant parameters acting on the water vapour condensation in a partly closed structure, submitted to external constraints (temperature and humidity), in view to recover the generated droplets as an additional source of potable water. External temperature variations, by inducing temperature differences between outside and inside of the structure, lead to convective movements and thermal variations inside this structure. Through an orifice, these movements permit a renewing of the humid inner air and can lead to the condensation of the water vapour initially contained in the inner air volume and/or on the walls. With the above hypotheses, and by using a numerical simulation [1] based on the ambient air characteristics and a finite volumes method, it appears that condensed water quantities are mainly depending on the boundary conditions imposed. These conditions are: 1) dimensions of the structure; 2) external temperature and relative hygrometry; 3) the phase φ (T/RH) linking thermal and hydrometric conditions; 4) the air renewing and its hygrometry for each phase; and 5) for each case, the fact that the inside bottom wall can be wet or dry. The resulting condensed water vapour quantities obtained, for the width section, point out clearly that they are very depending on this phase φ (T/RH) which appears as the more significant parameter and can be modified by the presence or not of a thin layer of water vapour on the inside bottom wall. Condensation phenomenon could be increased if φ could be optimized.

How Sensitive Is the Elasticity of Hydroxyapatite-Nanoparticle-Reinforced Chitosan Composite to Changes in Particle Concentration and Crystallization Temperature?

PubMed

Wang, Kean; Liao, Kin; Goh, Kheng Lim

2015-10-10

Hydroxyapatite (HA) nanoparticle-reinforced chitosan composites are biocompatible and biodegradable structural materials that are used as biomaterials in tissue engineering. However, in order for these materials to function effectively as intended, e.g., to provide adequate structural support for repairing damaged tissues, it is necessary to analyse and optimise the material processing parameters that affect the relevant mechanical properties. Here we are concerned with the strength, stiffness and toughness of wet-spun HA-reinforced chitosan fibres. Unlike previous studies which have addressed each of these parameters as singly applied treatments, we have carried out an experiment designed using a two-factor analysis of variance to study the main effects of two key material processing parameters, namely HA concentration and crystallization temperature, and their interactions on the respective mechanical properties of the composite fibres. The analysis reveals that significant interaction occurs between the crystallization temperature and HA concentration. Starting at a low HA concentration level, the magnitude of the respective mechanical properties decreases significantly with increasing HA concentration until a critical HA concentration is reached, at around 0.20-0.30 (HA mass fraction), beyond which the magnitude of the mechanical properties increases significantly with HA concentration. The sensitivity of the mechanical properties to crystallization temperature is masked by the interaction between the two parameters-further analysis reveals that the dependence on crystallization temperature is significant in at least some levels of HA concentration. The magnitude of the mechanical properties of the chitosan composite fibre corresponding to 40 °C is higher than that at 100 °C at low HA concentration; the reverse applies at high HA concentration. In conclusion, the elasticity of the HA nanoparticle-reinforced chitosan composite fibre is sensitive to HA concentration and crystallization temperature, and there exists a critical concentration level whereby the magnitude of the mechanical property is a minimum.

Design and Analysis of Tubular Permanent Magnet Linear Wave Generator

PubMed Central

Si, Jikai; Feng, Haichao; Su, Peng; Zhang, Lufeng

2014-01-01

Due to the lack of mature design program for the tubular permanent magnet linear wave generator (TPMLWG) and poor sinusoidal characteristics of the air gap flux density for the traditional surface-mounted TPMLWG, a design method and a new secondary structure of TPMLWG are proposed. An equivalent mathematical model of TPMLWG is established to adopt the transformation relationship between the linear velocity of permanent magnet rotary generator and the operating speed of TPMLWG, to determine the structure parameters of the TPMLWG. The new secondary structure of the TPMLWG contains surface-mounted permanent magnets and the interior permanent magnets, which form a series-parallel hybrid magnetic circuit, and their reasonable structure parameters are designed to get the optimum pole-arc coefficient. The electromagnetic field and temperature field of TPMLWG are analyzed using finite element method. It can be included that the sinusoidal characteristics of air gap flux density of the new secondary structure TPMLWG are improved, the cogging force as well as mechanical vibration is reduced in the process of operation, and the stable temperature rise of generator meets the design requirements when adopting the new secondary structure of the TPMLWG. PMID:25050388

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy.

PubMed

Zhang, Hang; Xu, Qingyan

2017-10-27

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter ( d w ), the spiral pitch ( h b ) and the spiral diameter ( h s ), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure.

Simulation and Experimental Studies on Grain Selection and Structure Design of the Spiral Selector for Casting Single Crystal Ni-Based Superalloy

PubMed Central

Zhang, Hang; Xu, Qingyan

2017-01-01

Grain selection is an important process in single crystal turbine blades manufacturing. Selector structure is a control factor of grain selection, as well as directional solidification (DS). In this study, the grain selection and structure design of the spiral selector were investigated through experimentation and simulation. A heat transfer model and a 3D microstructure growth model were established based on the Cellular automaton-Finite difference (CA-FD) method for the grain selector. Consequently, the temperature field, the microstructure and the grain orientation distribution were simulated and further verified. The average error of the temperature result was less than 1.5%. The grain selection mechanisms were further analyzed and validated through simulations. The structural design specifications of the selector were suggested based on the two grain selection effects. The structural parameters of the spiral selector, namely, the spiral tunnel diameter (dw), the spiral pitch (hb) and the spiral diameter (hs), were studied and the design criteria of these parameters were proposed. The experimental and simulation results demonstrated that the improved selector could accurately and efficiently produce a single crystal structure. PMID:29077067

Design and analysis of tubular permanent magnet linear wave generator.

PubMed

Si, Jikai; Feng, Haichao; Su, Peng; Zhang, Lufeng

2014-01-01

Due to the lack of mature design program for the tubular permanent magnet linear wave generator (TPMLWG) and poor sinusoidal characteristics of the air gap flux density for the traditional surface-mounted TPMLWG, a design method and a new secondary structure of TPMLWG are proposed. An equivalent mathematical model of TPMLWG is established to adopt the transformation relationship between the linear velocity of permanent magnet rotary generator and the operating speed of TPMLWG, to determine the structure parameters of the TPMLWG. The new secondary structure of the TPMLWG contains surface-mounted permanent magnets and the interior permanent magnets, which form a series-parallel hybrid magnetic circuit, and their reasonable structure parameters are designed to get the optimum pole-arc coefficient. The electromagnetic field and temperature field of TPMLWG are analyzed using finite element method. It can be included that the sinusoidal characteristics of air gap flux density of the new secondary structure TPMLWG are improved, the cogging force as well as mechanical vibration is reduced in the process of operation, and the stable temperature rise of generator meets the design requirements when adopting the new secondary structure of the TPMLWG.

Analysis of Temperature and Velocity Microturbulence Parameters from Aircraft Data and Relationship to Atmospheric Refractive Index Structure

DTIC Science & Technology

1988-05-01

fluctuations were measured with a fast response resistance bridge driving microthermal sensor probes as the temperature sensitive resistance elements. The bridge...used was a Thermo Systems, Inc. (TSI) type 1044, dc Wheatstone bridge with a frequency response of 800 hz. The microthermal probes were TSI type 1210

Linear and nonlinear analysis of kinetic Alfven waves in quantum magneto-plasmas with arbitrary temperature degeneracy

NASA Astrophysics Data System (ADS)

Sadiq, Nauman; Ahmad, Mushtaq; Farooq, M.; Jan, Qasim

2018-06-01

Linear and nonlinear kinetic Alfven waves (KAWs) are studied in collisionless, non-relativistic two fluid quantum magneto-plasmas by considering arbitrary temperature degeneracy. A general coupling parameter is applied to discuss the range of validity of the proposed model in nearly degenerate and nearly non-degenerate plasma limits. Linear analysis of KAWs shows an increase (decrease) in frequency with the increase in parameter ζ ( δ ) for the nearly non-degenerate (nearly degenerate) plasma limit. The energy integral equation in the form of Sagdeev potential is obtained by using the approach of the Lorentz transformation. The analysis reveals that the amplitude of the Sagdeev potential curves and soliton structures remains the same, but the potential depth and width of soliton structure change for both the limiting cases. It is further observed that only density hump structures are formed in the sub-alfvenic region for value Kz 2 > 1 . The effects of parameters ζ, δ on the nonlinear properties of KAWs are shown in graphical plots. New results for comparison with earlier work have also been highlighted. The significance of this work to astrophysical plasmas is also emphasized.

Thermal Properties of A Solar Coronal Cavity Observed with the X-Ray Telescope on Hinode

NASA Technical Reports Server (NTRS)

Reeves, Katherine K.; Gibson, Sarah E.; Kucera, Theresa A.; Hudson, Hugh S.; Kano, Ryouhei

2011-01-01

Coronal cavities are voids in coronal emission often observed above high latitude filament channels. Sometimes, these cavities have areas of bright X-ray emission in their centers. In this study, we use data from the X-ray Telescope (XRT) on the Hinode satellite to examine the thermal emission properties of a cavity observed during July 2008 that contains bright X-ray emission in its center. Using ratios of XRT filters, we find evidence for elevated temperatures in the cavity center. The area of elevated temperature evolves from a ring-shaped structure at the beginning of the observation, to an elongated structure two days later, finally appearing as a compact round source four days after the initial observation. We use a morphological model to fit the cavity emission, and find that a uniform structure running through the cavity does not fit the observations well. Instead, the observations are reproduced by modeling several short cylindrical cavity "cores" with different parameters on different days. These changing core parameters may be due to some observed activity heating different parts of the cavity core at different times. We find that core temperatures of 1.75 MK, 1.7 MK and 2.0 MK (for July 19, July 21 and July 23, respectively) in the model lead to structures that are consistent with the data, and that line-of-sight effects serve to lower the effective temperature derived from the filter ratio.

Simultaneous measurement for strain and temperature based on the twisted-tapering fiber structure

NASA Astrophysics Data System (ADS)

Ni, Wenjun; Lu, Ping; Liu, Deming; Zhang, Jiangshan

2017-10-01

A novel special fiber fabrication method based on a common single mode fiber (SMF) for dual-parameters measurement has been proposed and experimentally demonstrated. The fabrication setup is based on a three dimensional electric displacement platform which can realize the function of twisting and tapering at the same time. The proposed novel structure simultaneously undergoes the aforementioned two processes. Then a twisted-tapering fiber structure is formed. There are two dominant resonant wavelengths in the spectrum. Thus, simultaneous measurement for strain and temperature can be achieved. The following result shows that the strain measurement can be achieved by intensity demodulation, with the sensitivity of -0.01565 dB/μɛ and 0.00705 dB/μɛ corresponding to the dip1 and dip2, respectively. Therefore, the total sensitivity of the strain is 0.0227 dB/μɛ. Moreover, the cross impacts of the wavelength shift are - 0.772 pm/μɛ and 0.895 pm/μɛ. Similarly, the wavelength demodulation is selected to temperature measurement. The temperature sensitivity of 50.53pm/°C and 45.12pm/°C are obtained. The cross sensitivity of the intensity variation are 0.04058dB/°C and 0.02031 dB/°C. As a result, the dual-parameters can be described to a cross matrix of the sensitivity value. The proposed sensor has a great potential for engineering applications due to its compact structure, simple manufacture and low cost.

Uncertainty analysis of scintillometers methods in measuring sensible heat fluxes of forest ecosystem

NASA Astrophysics Data System (ADS)

Zheng, N.

2017-12-01

Sensible heat flux (H) is one of the driving factors of surface turbulent motion and energy exchange. Therefore, it is particularly important to measure sensible heat flux accurately at the regional scale. However, due to the heterogeneity of the underlying surface, hydrothermal regime, and different weather conditions, it is difficult to estimate the represented flux at the kilometer scale. The scintillometer have been developed into an effective and universal equipment for deriving heat flux at the regional-scale which based on the turbulence effect of light in the atmosphere since the 1980s. The parameter directly obtained by the scintillometer is the structure parameter of the refractive index of air based on the changes of light intensity fluctuation. Combine with parameters such as temperature structure parameter, zero-plane displacement, surface roughness, wind velocity, air temperature and the other meteorological data heat fluxes can be derived. These additional parameters increase the uncertainties of flux because the difference between the actual feature of turbulent motion and the applicable conditions of turbulence theory. Most previous studies often focused on the constant flux layers that are above the rough sub-layers and homogeneous flat surfaces underlying surfaces with suitable weather conditions. Therefore, the criteria and modified forms of key parameters are invariable. In this study, we conduct investment over the hilly area of northern China with different plants, such as cork oak, cedar-black and locust. On the basis of key research on the threshold and modified forms of saturation with different turbulence intensity, modified forms of Bowen ratio with different drying-and-wetting conditions, universal function for the temperature structure parameter under different atmospheric stability, the dominant sources of uncertainty will be determined. The above study is significant to reveal influence mechanism of uncertainty and explore influence degree of uncertainty with quantitative analysis. The study can provide theoretical basis and technical support for accurately measuring sensible heat fluxes of forest ecosystem with scintillometer method, and can also provide work foundation for further study on role of forest ecosystem in energy balance and climate change.

Structural, electronic and thermal properties of super hard ternary boride, WAlB

NASA Astrophysics Data System (ADS)

Rajpoot, Priyanka; Rastogi, Anugya; Verma, U. P.

2018-04-01

A first principle study of the structural, electronic and thermal properties of Tungsten Aluminum Boride (WAlB) using full-potential linearized augmented plane wave (FP-LAPW) in the frame work of density function theory (DFT) have been calculated. The calculated equilibrium structural parameters are in excellent agreement with available experimental results. The calculated electronic band structure reveals that WAlB is metallic in nature. The quasi-harmonic Debye model is applied to study of the temperature and pressure effect on volume, Debye temperature, thermal expansion coefficient and specific heat at constant volume and constant pressure. To the best of our knowledge theoretical investigation of these properties of WAlB is reported for the first time.

Ab Initio High Pressure and Temperature Investigation on Cubic PbMoO3 Perovskite

NASA Astrophysics Data System (ADS)

Dar, Sajad Ahmad; Srivastava, Vipul; Sakalle, Umesh Kumar

2017-12-01

A combined high pressure and temperature investigation on recently reported cubic perovskite PbMoO3 have been performed within the most accurate density functional theory (DFT). The structure was found stable in cubic paramagnetic phase. The DFT calculated analytical and experimental lattice constant were found in good agreement. The analytical tolerance factor as well as the elastic properties further verifies the cubic stability for PbMoO3. The spin polarized electronic band structure and density of states presented metallic nature with symmetry in up and down states. The insignificant magnetic moment also confirms the paramagnetic nature for the compound. The high pressure elastic and mechanical study up to 35 GPa reveal the structural stability of the material in this pressure range. The compound was found to establish a ductile nature. The electrical conductivity obtained from the band structure results show a decreasing trend with increasing temperature. The temperature dependence of thermodynamic parameters such as specific heat ( C v), thermal expansion ( α) has also been evaluated.

Control of morphology and crystal purity of InP nanowires by variation of phosphine flux during selective area MOMBE

NASA Astrophysics Data System (ADS)

Kelrich, A.; Dubrovskii, V. G.; Calahorra, Y.; Cohen, S.; Ritter, D.

2015-02-01

We present experimental results showing how the growth rate, morphology and crystal structure of Au-catalyzed InP nanowires (NWs) fabricated by selective area metal organic molecular beam epitaxy can be tuned by the growth parameters: temperature and phosphine flux. The InP NWs with 20-65 nm diameters are grown at temperatures of 420 and 480 °C with the PH3 flow varying from 1 to 9 sccm. The NW tapering is suppressed at a higher temperature, while pure wurtzite crystal structure is preferred at higher phosphine flows. Therefore, by combining high temperature and high phosphine flux, we are able to fabricate non-tapered and stacking fault-free InP NWs with the quality that other methods rarely achieve. We also develop a model for NW growth and crystal structure which explains fairly well the observed experimental tendencies.

Molecular Modeling for Calculation of Mechanical Properties of Epoxies with Moisture Ingress

NASA Technical Reports Server (NTRS)

Clancy, Thomas C.; Frankland, Sarah J.; Hinkley, J. A.; Gates, T. S.

2009-01-01

Atomistic models of epoxy structures were built in order to assess the effect of crosslink degree, moisture content and temperature on the calculated properties of a typical representative generic epoxy. Each atomistic model had approximately 7000 atoms and was contained within a periodic boundary condition cell with edge lengths of about 4 nm. Four atomistic models were built with a range of crosslink degree and moisture content. Each of these structures was simulated at three temperatures: 300 K, 350 K, and 400 K. Elastic constants were calculated for these structures by monitoring the stress tensor as a function of applied strain deformations to the periodic boundary conditions. The mechanical properties showed reasonably consistent behavior with respect to these parameters. The moduli decreased with decreasing crosslink degree with increasing temperature. The moduli generally decreased with increasing moisture content, although this effect was not as consistent as that seen for temperature and crosslink degree.

Structures, Phase Transitions and Tricritical Behavior of the Hybrid Perovskite Methyl Ammonium Lead Iodide

DOE PAGES

Whitfield, P. S.; Herron, N.; Guise, W. E.; ...

2016-10-21

Here, we examine the crystal structures and structural phase transitions of the deuterated, partially deuterated and hydrogenous organic-inorganic hybrid perovskite methyl ammonium lead iodide (MAPbI 3) using time-of-flight neutron and synchrotron X-ray powder diffraction. Near 330 K the high temperature cubic phases transformed to a body-centered tetragonal phase. The variation of the order parameter Q for this transition scaled with temperature T as Q (T c-T) , where T c is the critical temperature and the exponent was close to , as predicted for a tricritical phase transition. We also observed coexistence of the cubic and tetragonal phases over amore » range of temperature in all cases, demonstrating that the phase transition was in fact first-order, although still very close to tricritical. Upon cooling further, all the tetragonal phases transformed into a low temperature orthorhombic phase around 160 K, again via a first-order phase transition. Finally, based upon these results, we discuss the impact of the structural phase transitions upon photovoltaic performance of MAPbI 3 based solar cells.« less

Localized states in the conserved Swift-Hohenberg equation with cubic nonlinearity

NASA Astrophysics Data System (ADS)

Thiele, Uwe; Archer, Andrew J.; Robbins, Mark J.; Gomez, Hector; Knobloch, Edgar

2013-04-01

The conserved Swift-Hohenberg equation with cubic nonlinearity provides the simplest microscopic description of the thermodynamic transition from a fluid state to a crystalline state. The resulting phase field crystal model describes a variety of spatially localized structures, in addition to different spatially extended periodic structures. The location of these structures in the temperature versus mean order parameter plane is determined using a combination of numerical continuation in one dimension and direct numerical simulation in two and three dimensions. Localized states are found in the region of thermodynamic coexistence between the homogeneous and structured phases, and may lie outside of the binodal for these states. The results are related to the phenomenon of slanted snaking but take the form of standard homoclinic snaking when the mean order parameter is plotted as a function of the chemical potential, and are expected to carry over to related models with a conserved order parameter.

A Microwave Radiometric Method to Obtain the Average Path Profile of Atmospheric Temperature and Humidity Structure Parameters and Its Application to Optical Propagation System Assessment

NASA Technical Reports Server (NTRS)

Manning, Robert M.; Vyhnalek, Brian E.

2015-01-01

The values of the key atmospheric propagation parameters Ct2, Cq2, and Ctq are highly dependent upon the vertical height within the atmosphere thus making it necessary to specify profiles of these values along the atmospheric propagation path. The remote sensing method suggested and described in this work makes use of a rapidly integrating microwave profiling radiometer to capture profiles of temperature and humidity through the atmosphere. The integration times of currently available profiling radiometers are such that they are approaching the temporal intervals over which one can possibly make meaningful assessments of these key atmospheric parameters. Since these parameters are fundamental to all propagation conditions, they can be used to obtain Cn2 profiles for any frequency, including those for an optical propagation path. In this case the important performance parameters of the prevailing isoplanatic angle and Greenwood frequency can be obtained. The integration times are such that Kolmogorov turbulence theory and the Taylor frozen-flow hypothesis must be transcended. Appropriate modifications to these classical approaches are derived from first principles and an expression for the structure functions are obtained. The theory is then applied to an experimental scenario and shows very good results.

Electrical conductivity of rocks at high pressures and temperatures

NASA Technical Reports Server (NTRS)

Parkhomenko, E. I.; Bondarenko, A. T.

1986-01-01

The results of studies of the electrical conductivity in the most widely distributed types of igneous rocks, at temperatures of up to 1200 C, at atmospheric pressure, and also at temperatures of up to 700 C and at pressures of up to 20,000 kg/sq cm are described. The figures of electrical conductivity, of activaation energy and of the preexponential coefficient are presented and the dependence of these parameters on the petrochemical parameters of the rocks are reviewed. The possible electrical conductivities for the depository, granite and basalt layers of the Earth's crust and of the upper mantle are presented, as well as the electrical conductivity distribution to the depth of 200 to 240 km for different geological structures.

Electron-lattice coupling after high-energy deposition in aluminum

NASA Astrophysics Data System (ADS)

Gorbunov, S. A.; Medvedev, N. A.; Terekhin, P. N.; Volkov, A. E.

2015-07-01

This paper presents an analysis of the parameters of highly-excited electron subsystem of aluminum, appearing e.g. after swift heavy ion impact or laser pulse irradiation. For elevated electron temperatures, the electron heat capacity and the screening parameter are evaluated. The electron-phonon approximation of electron-lattice coupling is compared with its precise formulation based on the dynamic structure factor (DSF) formalism. The DSF formalism takes into account collective response of a lattice to excitation including all possible limit cases of this response. In particular, it automatically provides realization of electron-phonon coupling as the low-temperature limit, while switching to the plasma-limit for high electron temperatures. Aluminum is chosen as a good model system for illustration of the presented methodology.

Synthesis and dielectric properties of zinc oxide nanoparticles using a biotemplate

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

P, Sharmila P, E-mail: sharmilavishram@gmail.com; Tharayil, Nisha J., E-mail: nishajohntharayil@gmail.com

Zinc Oxide nanoparticles are synthesized using DNA as capping agent. Zinc oxide nanoparticles are synthesized using DNA as a capping agent. Structural and morphological characterizations are done using SEM, FTIR and XRD. The particle size and lattice parameters are calculated from the diffraction data. The optical properties are studied using UV-Vis absorption spectroscopy and bandgap variation with temperature is determined. The dielectric property of nanoparticles is studied by varying temperature and frequency. The dielectric constant and dispersion parameters are found out. Method of Cole-Cole analysis is used to study the high temperature dispersion of relaxation time. The variation of bothmore » AC and DC conductivity are studied and activation energy calculated.« less

Daily exposure to summer temperatures affects the motile subpopulation structure of epididymal sperm cells but not male fertility in an in vivo rabbit model.

PubMed

Maya-Soriano, M J; Taberner, E; Sabés-Alsina, M; Ramon, J; Rafel, O; Tusell, L; Piles, M; López-Béjar, M

2015-08-01

High temperatures have negative effects on sperm quality leading to temporary or permanent sterility. The aim of the study was to assess the effect of long exposure to summer circadian heat stress cycles on sperm parameters and the motile subpopulation structure of epididymal sperm cells from rabbit bucks. Twelve White New Zealand rabbit bucks were exposed to a daily constant temperature of the thermoneutral zone (from 18 °C to 22 °C; control group) or exposed to a summer circadian heat stress cycles (30 °C, 3 h/day; heat stress group). Spermatozoa were flushed from the epididymis and assessed for sperm quality parameters at recovery. Sperm total motility and progressivity were negatively affected by high temperatures (P < 0.05), as were also specific motility parameters (curvilinear velocity, linear velocity, mean velocity, straightness coefficient, linearity coefficient, wobble coefficient, and frequency of head displacement; P < 0.05, but not the mean amplitude of lateral head displacement). Heat stress significantly increased the percentage of less-motile sperm subpopulations, although the percentage of the high-motile subpopulation was maintained, which is consistent with the fact that no effect was detected on fertility rates. However, prolificacy was reduced in females submitted to heat stress when inseminated by control bucks. In conclusion, our results suggest that environmental high temperatures are linked to changes in the proportion of motile sperm subpopulations of the epididymis, although fertility is still preserved despite the detrimental effects of heat stress. On the other hand, prolificacy seems to be affected by the negative effects of high temperatures, especially by altering female reproduction. Copyright © 2015 Elsevier Inc. All rights reserved.

Novel micronisation β-carotene using rapid expansion supercritical solution with co-solvent

NASA Astrophysics Data System (ADS)

Kien, Le Anh

2017-09-01

Rapid expansion of supercritical solution (RESS) is the most common approach of pharmaceutical pacticle forming methods using supercritical fluids. The RESS method is a technology producing a small solid product with a very narrow particle size distribution, organic solvent-free particles. This process is also simple and easy to control the operating parameters in comparision with other ways based on supercritical techniques. In this study, β-carotene, a strongly colored red-orange pigment abundant in plants and fruits, has been forming by RESS. In addition, the size and morphology effect of four different RESS parameters including co-solvent, extraction temperature, and extraction pressure and expansion nozzle temperature has surveyed. The particle size distribution has been determined by using laser diffraction experiment. SEM has conducted to analyze the surface structure, DSC and FTIR for thermal and chemical structure analysis.

Temperature and pressure tuneable swollen bicontinuous cubic phases approaching nature's length scales.

PubMed

Barriga, H M G; Tyler, A I I; McCarthy, N L C; Parsons, E S; Ces, O; Law, R V; Seddon, J M; Brooks, N J

2015-01-21

Bicontinuous cubic structures offer enormous potential in applications ranging from protein crystallisation to drug delivery systems and have been observed in cellular membrane structures. One of the current bottlenecks in understanding and exploiting these structures is that cubic scaffolds produced in vitro are considerably smaller in size than those observed in biological systems, differing by almost an order of magnitude in some cases. We have addressed this technological bottleneck and developed a methodology capable of manufacturing highly swollen bicontinuous cubic membranes with length scales approaching those seen in vivo. Crucially, these cubic systems do not require the presence of proteins. We have generated highly swollen Im3m symmetry bicontinuous cubic phases with lattice parameters of up to 480 Å, composed of ternary mixtures of monoolein, cholesterol and negatively charged lipid (DOPS or DOPG) and we have been able to tune their lattice parameters. The swollen cubic phases are highly sensitive to both temperature and pressure; these structural changes are likely to be controlled by a fine balance between lipid headgroup repulsions and lateral pressure in the hydrocarbon chain region.

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

DOE PAGES

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra; ...

2017-08-24

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

Structure and thermal expansion of Lu 2O 3 and Yb 2O 3 up to the melting points

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

Pavlik, Alfred; Ushakov, Sergey V.; Navrotsky, Alexandra

Knowledge of thermal expansion and high temperature phase transformations is essential for prediction and interpretation of materials behavior under the extreme conditions of high temperature and intense radiation encountered in nuclear reactors. We studied the structure and thermal expansion of Lu 2O 3 and Yb 2O 3 were studied in oxygen and argon atmospheres up to their melting temperatures using synchrotron X-ray diffraction on laser heated levitated samples. Both oxides retained the cubic bixbyite C-type structure in oxygen and argon to melting. In contrast to fluorite-type structures, the increase in the unit cell parameter of Yb 2O 3 and Lumore » 2O 33 with temperature is linear within experimental error from room temperature to the melting point, with mean thermal expansion coefficients (8.5 ± 0.6) · 10 -6 K -1 and (7.7 ± 0.6) · 10 -6 K -1, respectively. There is no indication of a superionic (Bredig) transition in the C-type structure or of a previously suggested Yb 2O 3 phase transformation to hexagonal phase prior to melting.« less

Temperature-Dependent Magnetic Response of Antiferromagnetic Doping in Cobalt Ferrite Nanostructures.

PubMed

Nairan, Adeela; Khan, Maaz; Khan, Usman; Iqbal, Munawar; Riaz, Saira; Naseem, Shahzad

2016-04-18

In this work Mn x Co 1- x Fe₂O₄ nanoparticles (NPs) were synthesized using a chemical co-precipitation method. Phase purity and structural analyses of synthesized NPs were performed by X-ray diffractometer (XRD). Transmission electron microscopy (TEM) reveals the presence of highly crystalline and narrowly-dispersed NPs with average diameter of 14 nm. The Fourier transform infrared (FTIR) spectrum was measured in the range of 400-4000 cm -1 which confirmed the formation of vibrational frequency bands associated with the entire spinel structure. Temperature-dependent magnetic properties in anti-ferromagnet (AFM) and ferromagnet (FM) structure were investigated with the aid of a physical property measurement system (PPMS). It was observed that magnetic interactions between the AFM (Mn) and FM (CoFe₂O₄) material arise below the Neel temperature of the dopant. Furthermore, hysteresis response was clearly pronounced for the enhancement in magnetic parameters by varying temperature towards absolute zero. It is shown that magnetic properties have been tuned as a function of temperature and an externally-applied field.

Research on dual-parameter optical fiber sensor based on few-mode fiber with two down-tapers

NASA Astrophysics Data System (ADS)

Wang, Xue; Tong, Zhengrong; Zhang, Weihua; Xue, Lifang

2017-10-01

A dual-parameter optical fiber sensor, which is fabricated by sandwiching a segment of few-mode fiber (FMF) with two down-tapers between two segments of standard single-mode fibers (SMFs), is investigated theoretically and experimentally. The two down-tapers on the FMF can enhance the evanescent field, making the sensor more sensitive to changes in the external environment. The refractive index (RI) and temperature are measured simultaneously using the different sensitivities of the two dips in this experimental interference spectrum. The measured temperature sensitivities are 0.097 and 0.114 nm/°C, and the RI sensitivities are -97.43 and -108.07 nm/RIU, respectively. Meanwhile, the simple SMF-FMF-SMF structure is also measured. By comparing the experimental results of the two structures, the sensitivities of the proposed structure based on the dual-taper FMF are significantly improved. In addition, the sensor is easy to fabricate and cost effective.

Lattice parameters guide superconductivity in iron-arsenides

NASA Astrophysics Data System (ADS)

Konzen, Lance M. N.; Sefat, Athena S.

2017-03-01

The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped ‘parent’ materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which ‘dopants’ can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce ‘in-plane’ superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.

Lattice parameters guide superconductivity in iron-arsenides.

PubMed

Konzen, Lance M N; Sefat, Athena S

2017-03-01

The discovery of superconducting materials has led to their use in technological marvels such as magnetic-field sensors in MRI machines, powerful research magnets, short transmission cables, and high-speed trains. Despite such applications, the uses of superconductors are not widespread because they function much below room-temperature, hence the costly cooling. Since the discovery of Cu- and Fe-based high-temperature superconductors (HTS), much intense effort has tried to explain and understand the superconducting phenomenon. While no exact explanations are given, several trends are reported in relation to the materials basis in magnetism and spin excitations. In fact, most HTS have antiferromagnetic undoped 'parent' materials that undergo a superconducting transition upon small chemical substitutions in them. As it is currently unclear which 'dopants' can favor superconductivity, this manuscript investigates crystal structure changes upon chemical substitutions, to find clues in lattice parameters for the superconducting occurrence. We review the chemical substitution effects on the crystal lattice of iron-arsenide-based crystals (2008 to present). We note that (a) HTS compounds have nearly tetragonal structures with a-lattice parameter close to 4 Å, and (b) superconductivity can depend strongly on the c-lattice parameter changes with chemical substitution. For example, a decrease in c-lattice parameter is required to induce 'in-plane' superconductivity. The review of lattice parameter trends in iron-arsenides presented here should guide synthesis of new materials and provoke theoretical input, giving clues for HTS.

Inferring Land Surface Model Parameters for the Assimilation of Satellite-Based L-Band Brightness Temperature Observations into a Soil Moisture Analysis System

NASA Technical Reports Server (NTRS)

Reichle, Rolf H.; De Lannoy, Gabrielle J. M.

2012-01-01

The Soil Moisture and Ocean Salinity (SMOS) satellite mission provides global measurements of L-band brightness temperatures at horizontal and vertical polarization and a variety of incidence angles that are sensitive to moisture and temperature conditions in the top few centimeters of the soil. These L-band observations can therefore be assimilated into a land surface model to obtain surface and root zone soil moisture estimates. As part of the observation operator, such an assimilation system requires a radiative transfer model (RTM) that converts geophysical fields (including soil moisture and soil temperature) into modeled L-band brightness temperatures. At the global scale, the RTM parameters and the climatological soil moisture conditions are still poorly known. Using look-up tables from the literature to estimate the RTM parameters usually results in modeled L-band brightness temperatures that are strongly biased against the SMOS observations, with biases varying regionally and seasonally. Such biases must be addressed within the land data assimilation system. In this presentation, the estimation of the RTM parameters is discussed for the NASA GEOS-5 land data assimilation system, which is based on the ensemble Kalman filter (EnKF) and the Catchment land surface model. In the GEOS-5 land data assimilation system, soil moisture and brightness temperature biases are addressed in three stages. First, the global soil properties and soil hydraulic parameters that are used in the Catchment model were revised to minimize the bias in the modeled soil moisture, as verified against available in situ soil moisture measurements. Second, key parameters of the "tau-omega" RTM were calibrated prior to data assimilation using an objective function that minimizes the climatological differences between the modeled L-band brightness temperatures and the corresponding SMOS observations. Calibrated parameters include soil roughness parameters, vegetation structure parameters, and the single scattering albedo. After this climatological calibration, the modeling system can provide L-band brightness temperatures with a global mean absolute bias of less than 10K against SMOS observations, across multiple incidence angles and for horizontal and vertical polarization. Third, seasonal and regional variations in the residual biases are addressed by estimating the vegetation optical depth through state augmentation during the assimilation of the L-band brightness temperatures. This strategy, tested here with SMOS data, is part of the baseline approach for the Level 4 Surface and Root Zone Soil Moisture data product from the planned Soil Moisture Active Passive (SMAP) satellite mission.

Micro-structure and Air-tightness of Squeeze Casting Motor housing for New Energy Vehicle

NASA Astrophysics Data System (ADS)

Jiang, Y. F.; Kang, Z. Q.; Jiang, W. F.; Wang, K. W.; Sha, D. L.; Li, M. L.; Sun, J.

2018-05-01

In order to improve the performance of automobile parts, the influence of squeeze casting process parameters on casting defects, material structure and air-tightness of aluminum alloy motor housing for new energy vehicle was studied. The results show that the density of the castings increases with the increase in pressure and mold temperature. With increase in pouring temperature, it increases first and then decreases. Pressure has the greatest influence on the density of the castings. Under a certain pressure, with moderate increase in casting temperature and mold temperature, the grain growth begins to increase; the dendrites become less, the new α - Al grains are spherical and granular, the micro-structure is uniform. Also, with increase in pressure, this effect is more pronounced, the air-tightness of castings improve. In conclusion, when the pressure is 110MPa, pouring temperature is 680° C, mold temperature is 280° C, pressure holding for 30s, and punch speed of 0.1m/s, there is no clear shrinkage in the casting, the structure is uniform, the qualified rate of air-tightness of production reaches 86%, and the performance is excellent.

Effect of Synthesis Temperature on Structure and Magnetic Properties of (La,Nd)0.7Sr0.3MnO3 Nanoparticles.

PubMed

Shlapa, Yulia; Solopan, Sergii; Bodnaruk, Andrii; Kulyk, Mykola; Kalita, Viktor; Tykhonenko-Polishchuk, Yulia; Tovstolytkin, Alexandr; Belous, Anatolii

2017-12-01

Two sets of Nd-doped La 0.7 Sr 0.3 MnO 3 nanoparticles were synthesized via sol-gel method with further heat treatment at 1073 and 1573 K, respectively. Crystallographic and magnetic properties of obtained nanoparticles were studied, and the effect of synthesis conditions on these properties was investigated. According to X-ray data, all particles crystallized in the distorted perovskite structure. Magnetic parameters, such as saturation magnetization, coercivity, Curie temperature, and specific loss power, which is released on the exposure of an ensemble of nanoparticles to AC magnetic field, were determined for both sets of samples. The correlation between the values of Curie temperature and maximal heating temperature under AC magnetic field was found. It was revealed that for the samples synthesized at 1573 K, the dependences of crystallographic and magnetic parameters on Nd content were monotonous, while for the samples synthesized at 1073 K, they were non-monotonous. It was concluded that Nd-doped La 0.7 Sr 0.3 MnO 3 nanoparticles are promising materials for self-controlled magnetic hyperthermia applications, but the researchers should be aware of the unusual behavior of the particles synthesized at relatively low temperatures.

Low-valent low-coordinated manganese(I) ion dimer: a temperature dependent W-band EPR study.

PubMed

Sorace, Lorenzo; Golze, Christian; Gatteschi, Dante; Bencini, Alessandro; Roesky, Herbert W; Chai, Jianfang; Stückl, A Claudia

2006-01-09

W-Band EPR spectra of [[HC(CMeNAr)(2)]Mn](2) (Ar = 2,6-(i)Pr(2)C(6)H(3)) have been measured at different temperatures. The spectra show a behavior which is typical for an antiferromagnetically coupled dimer with excited states populating upon increasing temperature. By following the intensity variation of the different features of the spectra with temperature, we attributed different groups of resonances to the S = 1, 2, and 3 states of the dimer. Their corresponding spin Hamiltonian parameters were derived from simulations. The zero-field-splitting parameters measured in this way were D(S=1) = 1.57 cm(-1) and E(S=1) = 0.064 cm(-1), D(S=2) = 0.266 cm(-1) and E(S=2) = 0.0045 cm(-1), and D(S=3) = 0.075 cm(-1) and E(S=3) = 0. On the basis of the molecular structure of the system, we could estimate that zero-field splitting (ZFS) is the result of anisotropic exchange and single-ion anisotropic contributions of similar magnitude (|D| approximately 0.2 cm(-1)). These results allow a deeper insight into the electronic structure of the Mn(I) centers in low-coordination environments, further supporting the electronic structure of Mn(I) to be 4s(1)3d(5), as previously indicated by DFT calculations.

Enantiodiscrimination of flexible cyclic solutes using NMR spectroscopy in polypeptide chiral mesophases: investigation of cis-decalin and THF.

PubMed

Aroulanda, Christie; Lafon, Olivier; Lesot, Philippe

2009-08-06

The conformational dynamics and orientational behavior of two model cyclic molecules, cis-decalin (cis-dec) and tetrahydrofurane (THF), dissolved in weakly ordering, polypeptidic chiral liquid crystals (CLCs) are theoretically discussed and experimentally investigated using deuterium and carbon-13 NMR spectroscopies. The analysis of enantiomeric and enantiotopic discriminations in these compounds is shown to depend on the rate of conformational exchange regime, slow or fast. The slow exchange regime is illustrated through the case of cis-dec at low temperature (243 K). We show that the deuterium NMR spectra in this regime can be qualitatively and quantitatively interpreted by restricting the conformational pathway of cis-dec to two enantiomeric conformers of C(2)-symmetry. The orientational order parameters of these interconverting enantiomers are calculated by matching the (2)H quadrupolar splittings with calculated conformer structures. The fast exchange regime is investigated through the examples of cis-dec at high temperature (356 K) and THF at room temperature (300 K). The (2)H NMR spectra above the coalescence temperature are analyzed by introducing the concept of "average molecular structure". This fictitious structure allows easily identifying NMR equivalences of solutes dissolved in CLC. However, it cannot be applied to determine consistent orientational order parameters. This study emphasizes that enantiotopic discriminations observed for flexible molecules in the fast exchange regime can be quantitatively interpreted only by considering the orientational order of each conformer.

High-resolution high-sensitivity and truly distributed optical frequency domain reflectometry for structural crack detection

NASA Astrophysics Data System (ADS)

Li, Wenhai; Bao, Xiaoyi; Chen, Liang

2014-05-01

Optical Frequency Domain Reflectometry (OFDR) with the use of polarization maintaining fiber (PMF) is capable of distinguishing strain and temperature, which is critical for successful field applications such as structural health monitoring (SHM) and smart material. Location-dependent measurement sensitivities along PMF are compensated by cross- and auto-correlations measurements of the spectra form a distributed parameter matrix. Simultaneous temperature and strain measurement accuracy of 1μstrain and 0.1°C is achieved with 2.5mm spatial resolution in over 180m range.

Strain and order-parameter coupling in Ni-Mn-Ga Heusler alloys from resonant ultrasound spectroscopy

NASA Astrophysics Data System (ADS)

Salazar Mejía, C.; Born, N.-O.; Schiemer, J. A.; Felser, C.; Carpenter, M. A.; Nicklas, M.

2018-03-01

Resonant ultrasound spectroscopy and magnetic susceptibility experiments have been used to characterize strain coupling phenomena associated with structural and magnetic properties of the shape-memory Heusler alloy series Ni50 +xMn25 -xGa25 (x =0 , 2.5, 5.0, and 7.5). All samples exhibit a martensitic transformation at temperature TM and ferromagnetic ordering at temperature TC, while the pure end member (x =0 ) also has a premartensitic transition at TP M, giving four different scenarios: TC>TP M>TM,TC>TM without premartensitic transition, TC≈TM , and TC

Strength design of Zr(x)Ti(x)Hf(x)Nb(x)Mo(x) alloys based on empirical electron theory of solids and molecules

NASA Astrophysics Data System (ADS)

Li, Y. K.; Chen, Y. W.; Cheng, X. W.; Wu, C.; Cheng, B.

2018-05-01

In this paper, the valence electron structure parameters of Zr(x)Ti(x)Hf(x)Nb(x)Mo(x) alloys were calculated based on the empirical electron theory of solids and molecules (EET), and their performance through these parameters were predicted. Subsequently, the alloys with special valence electron structure parameters were prepared byarc melting. The hardness and high-temperature mechanical properties were analyzed to verify the prediction. Research shows that the influence of shared electron number nA on the strongest bond determines the strength of these alloys and the experiments are consistent with the theoretical prediction.

Multiscale Informatics for Low-Temperature Propane Oxidation: Further Complexities in Studies of Complex Reactions

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

Burke, Michael P.; Goldsmith, C. Franklin; Klippenstein, Stephen J.

2015-07-16

We have developed a multi-scale approach (Burke, M. P.; Klippenstein, S. J.; Harding, L. B. Proc. Combust. Inst. 2013, 34, 547–555.) to kinetic model formulation that directly incorporates elementary kinetic theories as a means to provide reliable, physics-based extrapolation to unexplored conditions. Here, we extend and generalize the multi-scale modeling strategy to treat systems of considerable complexity – involving multi-well reactions, potentially missing reactions, non-statistical product branching ratios, and non-Boltzmann (i.e. non-thermal) reactant distributions. The methodology is demonstrated here for a subsystem of low-temperature propane oxidation, as a representative system for low-temperature fuel oxidation. A multi-scale model is assembled andmore » informed by a wide variety of targets that include ab initio calculations of molecular properties, rate constant measurements of isolated reactions, and complex systems measurements. Active model parameters are chosen to accommodate both “parametric” and “structural” uncertainties. Theoretical parameters (e.g. barrier heights) are included as active model parameters to account for parametric uncertainties in the theoretical treatment; experimental parameters (e.g. initial temperatures) are included to account for parametric uncertainties in the physical models of the experiments. RMG software is used to assess potential structural uncertainties due to missing reactions. Additionally, branching ratios among product channels are included as active model parameters to account for structural uncertainties related to difficulties in modeling sequences of multiple chemically activated steps. The approach is demonstrated here for interpreting time-resolved measurements of OH, HO2, n-propyl, i-propyl, propene, oxetane, and methyloxirane from photolysis-initiated low-temperature oxidation of propane at pressures from 4 to 60 Torr and temperatures from 300 to 700 K. In particular, the multi-scale informed model provides a consistent quantitative explanation of both ab initio calculations and time-resolved species measurements. The present results show that interpretations of OH measurements are significantly more complicated than previously thought – in addition to barrier heights for key transition states considered previously, OH profiles also depend on additional theoretical parameters for R + O2 reactions, secondary reactions, QOOH + O2 reactions, and treatment of non-Boltzmann reaction sequences. Extraction of physically rigorous information from those measurements may require more sophisticated treatment of all of those model aspects, as well as additional experimental data under more conditions, to discriminate among possible interpretations and ensure model reliability. Keywords: Optimization, Uncertainty quantification, Chemical mechanism, Low-Temperature Oxidation, Non-Boltzmann« less

Prony series spectra of structural relaxation in N-BK7 for finite element modeling.

PubMed

Koontz, Erick; Blouin, Vincent; Wachtel, Peter; Musgraves, J David; Richardson, Kathleen

2012-12-20

Structural relaxation behavior of N-BK7 glass was characterized at temperatures 20 °C above and below T(12) for this glass, using a thermo mechanical analyzer (TMA). T(12) is a characteristic temperature corresponding to a viscosity of 10(12) Pa·s. The glass was subject to quick temperature down-jumps preceded and followed by long isothermal holds. The exponential-like decay of the sample height was recorded and fitted using a unique Prony series method. The result of his method was a plot of the fit parameters revealing the presence of four distinct peaks or distributions of relaxation times. The number of relaxation times decreased as final test temperature was increased. The relaxation times did not shift significantly with changing temperature; however, the Prony weight terms varied essentially linearly with temperature. It was also found that the structural relaxation behavior of the glass trended toward single exponential behavior at temperatures above the testing range. The result of the analysis was a temperature-dependent Prony series model that can be used in finite element modeling of glass behavior in processes such as precision glass molding (PGM).

Magnetoelastic effect in MF2 (M = Mn, Fe, Ni) investigated by neutron powder diffraction

NASA Astrophysics Data System (ADS)

Chatterji, Tapan; Iles, Gail N.; Ouladdiaf, Bachir; Hansen, Thomas C.

2010-08-01

We have investigated the magnetoelastic effects in MF2 (M = Mn, Fe, Ni) associated with the antiferromagnetic phase transition temperature TN by neutron powder diffraction. The temperature variation of the lattice parameters and the unit cell volume has been determined accurately with small temperature steps. From the temperature variation of the lattice parameters a, c and V the lattice strains Δa, Δc and ΔV associated with the antiferromagnetic phase transition have been extracted. Rietveld refinement of the crystal and magnetic structures from the diffraction data at low temperature gave a magnetic moment of 5.12 ± 0.09 μB, 4.05 ± 0.05 μB and 1.99 ± 0.05 μB per Mn, Fe and Ni ions, respectively. The lattice strains Δa, Δc and ΔV couple linearly with the intensity of the 100 magnetic reflection, which is proportional to square of the order parameter of the antiferromagnetic phase transition. The volume strains in MF2 (M = Mn, Fe, Co, Ni) due to the magnetostriction vary smoothly along the transition metal series and seem to be correlated with the strength of the exchange interaction and the moments of the magnetic ions.

Magnetoelastic effect in MF2 (M = Mn, Fe, Ni) investigated by neutron powder diffraction.

PubMed

Chatterji, Tapan; Iles, Gail N; Ouladdiaf, Bachir; Hansen, Thomas C

2010-08-11

We have investigated the magnetoelastic effects in MF(2) (M = Mn, Fe, Ni) associated with the antiferromagnetic phase transition temperature T(N) by neutron powder diffraction. The temperature variation of the lattice parameters and the unit cell volume has been determined accurately with small temperature steps. From the temperature variation of the lattice parameters a, c and V the lattice strains Δa, Δc and ΔV associated with the antiferromagnetic phase transition have been extracted. Rietveld refinement of the crystal and magnetic structures from the diffraction data at low temperature gave a magnetic moment of 5.12 ± 0.09 μ(B), 4.05 ± 0.05 μ(B) and 1.99 ± 0.05 μ(B) per Mn, Fe and Ni ions, respectively. The lattice strains Δa, Δc and ΔV couple linearly with the intensity of the 100 magnetic reflection, which is proportional to square of the order parameter of the antiferromagnetic phase transition. The volume strains in MF(2) (M = Mn, Fe, Co, Ni) due to the magnetostriction vary smoothly along the transition metal series and seem to be correlated with the strength of the exchange interaction and the moments of the magnetic ions.

Roto-flexoelectric coupling impact on the phase diagrams and pyroelectricity of thin SrTiO 3 films

DOE PAGES

Morozovska, Anna N.; Eliseev, Eugene A.; Bravina, Svetlana L.; ...

2012-09-20

The influence of the flexoelectric and rotostriction coupling on the phase diagrams of ferroelastic-quantum paraelectric SrTiO 3 films was studied using Landau-Ginzburg-Devonshire (LGD) theory. We calculated the phase diagrams in coordinates temperature - film thickness for different epitaxial misfit strains. Tensile misfit strains stimulate appearance of the spontaneous out-of-plane structural order parameter (displacement vector of an appropriate oxygen atom from its cubic position) in the structural phase. For compressive misfit strains are stimulated because of the spontaneous in-plane structural order parameter. Furthermore, gradients of the structural order parameter components, which inevitably exist in the vicinity of film surfaces due tomore » the termination and symmetry breaking, induce improper polarization and pyroelectric response via the flexoelectric and rotostriction coupling mechanism. Flexoelectric and rotostriction coupling results in the roto-flexoelectric field that is antisymmetric inside the film, small in the central part of the film, where the gradients of the structural parameter are small, and maximal near the surfaces, where the gradients of the structural parameter are highest. The field induces improper polarization and pyroelectric response. Penetration depths of the improper phases (both polar and structural) can reach several nm from the film surfaces. An improper pyroelectric response of thin films is high enough to be registered with planar-type electrode configurations by conventional pyroelectric methods.« less

Heat pipes for spacecraft temperature control: Their usefulness and limitations

NASA Technical Reports Server (NTRS)

Ollendorf, S.; Stipandic, E.

1972-01-01

Heat pipes are used in spacecraft to equalize the temperature of structures and maintain temperature control of electronic components. Information is provided for a designer on: (1) a typical mounting technique, (2) choices available in wick geometries and fluids, (3) tests involved in flight-qualifying the design, and (4) heat pipe limitations. An evaluation of several heat pipe designs showed that the behavior of heat pipes at room temperature does not necessarily correlate with the classic equations used to predict their performance. They are sensitive to such parameters as temperature, fluid inventory, orientation, and noncondensable gases.

Neutron Transmission of Single-crystal Sapphire Filters

NASA Astrophysics Data System (ADS)

Adib, M.; Kilany, M.; Habib, N.; Fathallah, M.

2005-05-01

An additive formula is given that permits the calculation of the nuclear capture, thermal diffuse and Bragg scattering cross-sections as a function of sapphire temperature and crystal parameters. We have developed a computer program that allows calculations of the thermal neutron transmission for the sapphire rhombohedral structure and its equivalent trigonal structure. The calculated total cross-section values and effective attenuation coefficient for single-crystalline sapphire at different temperatures are compared with measured values. Overall agreement is indicated between the formula and experimental data. We discuss the use of sapphire single crystal as a thermal neutron filter in terms of the optimum cystal thickness, mosaic spread, temperature, cutting plane and tuning for efficient transmission of thermal-reactor neutrons.

Tuning the ferroelectric-to-paraelectric transition temperature and dipole orientation of group-IV monochalcogenide monolayers

NASA Astrophysics Data System (ADS)

Barraza-Lopez, Salvador; Kaloni, Thaneshwor P.; Poudel, Shiva P.; Kumar, Pradeep

2018-01-01

Coordination-related, two-dimensional (2D) structural phase transitions are a fascinating facet of two-dimensional materials with structural degeneracies. Nevertheless, a unified theoretical account of these transitions remains absent, and the following points are established through ab initio molecular dynamics and 2D discrete clock models here: Group-IV monochalcogenide (GeSe, SnSe, SnTe,...) monolayers have four degenerate structural ground states, and a phase transition from a threefold coordinated onto a fivefold coordinated structure takes place at finite temperature. On unstrained samples, this phase transition requires lattice parameters to evolve freely. A fundamental energy scale J permits understanding this transition, and numerical results indicate a transition temperature Tc of about 1.41 J . Numerical data provides a relation among the experimental (rhombic) parameter 〈Δ α 〉 [Chang et al., Science 353, 274 (2016), 10.1126/science.aad8609] and T of the form 〈Δ α 〉 =Δ α (T =0 ) (1-T /Tc)β , with a critical exponent β ≃1 /3 that coincides with experiment. It is also shown that 〈Δ α 〉 is temperature independent in another theoretical work [Fei et al., Phys. Rev. Lett. 117, 097601 (2016), 10.1103/PhysRevLett.117.097601], and thus incompatible with experiment. Tc and the orientation of the in-plane intrinsic electric dipole can be controlled by moderate uniaxial tensile strain, and a modified discrete clock model describes the transition on strained samples qualitatively. An analysis of out-of-plane fluctuations and a discussion of the need for van der Waals corrections to describe these materials are given too. These results provide an experimentally compatible framework to understand structural phase transitions in 2D materials and their effects on material properties.

Structure formation in pH-sensitive hydrogels composed of sodium caseinate and N,O-carboxymethyl chitosan.

PubMed

Wei, Yanxia; Xie, Rui; Lin, Yanbin; Xu, Yunfei; Wang, Fengxia; Liang, Wanfu; Zhang, Ji

2016-08-01

The pH-sensitive hydrogels composed of sodium caseinate (SC) and N,O-carboxymethyl chitosan (NOCC) were prepared and a new method to characterize the gelation process was presented in this work. Reological tests suggested that RSC/NOCC=3/7 (the weight ratio of SC and NOCC) was the best ratio of hydrogel. The well-developed three-dimensional network structures in the hydrogel were confirmed by AFM. Two structural parameters, tIS and tCS, denoted as the initial and critical structure formation time, respectively, were used to provide an exact determination of the start of structure formation and description of gelation process. The gelation process strongly depended on temperature changes, a high temperature resulted in an early start of gelation. The non-kinetic model suggested the higher activation energy in the higher temperatures was disadvantageous to structure formation, and vice versa. Due to the smart gel reported here was very stable at room temperature, we believed that the gel is required for applications in drug delivery or could be exploited in the development of potential application as molecular switches in the future. Copyright © 2016 Elsevier B.V. All rights reserved.

Determination of strain fields in porous shape memory alloys using micro-computed tomography

NASA Astrophysics Data System (ADS)

Bormann, Therese; Friess, Sebastian; de Wild, Michael; Schumacher, Ralf; Schulz, Georg; Müller, Bert

2010-09-01

Shape memory alloys (SMAs) belong to 'intelligent' materials since the metal alloy can change its macroscopic shape as the result of the temperature-induced, reversible martensite-austenite phase transition. SMAs are often applied for medical applications such as stents, hinge-less instruments, artificial muscles, and dental braces. Rapid prototyping techniques, including selective laser melting (SLM), allow fabricating complex porous SMA microstructures. In the present study, the macroscopic shape changes of the SMA test structures fabricated by SLM have been investigated by means of micro computed tomography (μCT). For this purpose, the SMA structures are placed into the heating stage of the μCT system SkyScan 1172™ (SkyScan, Kontich, Belgium) to acquire three-dimensional datasets above and below the transition temperature, i.e. at room temperature and at about 80°C, respectively. The two datasets were registered on the basis of an affine registration algorithm with nine independent parameters - three for the translation, three for the rotation and three for the scaling in orthogonal directions. Essentially, the scaling parameters characterize the macroscopic deformation of the SMA structure of interest. Furthermore, applying the non-rigid registration algorithm, the three-dimensional strain field of the SMA structure on the micrometer scale comes to light. The strain fields obtained will serve for the optimization of the SLM-process and, more important, of the design of the complex shaped SMA structures for tissue engineering and medical implants.

Embedded Active Fiber Optic Sensing Network for Structural Health Monitoring in Harsh Environments

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

Wang, Anbo

This report summarizes technical progress on the program “Embedded Active Fiber Optic Sensing Network for Structural Health Monitoring in Harsh Environments” funded by the National Energy Technology Laboratory of the U.S. Department of Energy, and performed by the Center for Photonics Technology at Virginia Tech. The objective of this project is to develop a first-of-a-kind technology for remote fiber optic generation and detection of acoustic waves for structural health monitoring in harsh environments. During the project period, which is from April 1, 2013 to Septemeber 30, 2016, three different acoustic generation mechanisms were studied in detail for their applications inmore » building a fiber optic acoustic generation unit (AGU), including laser induced plasma breakdown (LIP), Erbium-doped fiber laser absorption, and metal laser absorption. By comparing the performance of the AGUs designed based on these three mechanisms and analyzing the experimental results with simulations, the metal laser absorption method was selected to build a complete fiber optic structure health monitoring (FO-SHM) system for the proposed high temperature multi-parameter structure health monitoring application. Based on the simulation of elastic wave propagation and fiber Bragg grating acoustic pulse detection, an FO-SHM element together with a completed interrogation system were designed and built. This system was first tested on an aluminum piece in the low-temperature range and successfully demonstrated its capability of multi-parameter monitoring and multi-point sensing. In the later stages of the project, the research was focused on improving the surface attachment design and preparing the FO-SHM element for high temperature environment tests. After several upgrades to the surface attachment methods, the FO-SHM element was able to work reliably up to 600oC when attached to P91 pipes, which are the target material of this project. In the final stage of this project, this FO-SHM sensing system was tested in the simulated harsh environment for its multi-parameter monitoring performance and high-temperature survivability.« less

X-33 LH2 Tank Failure Investigation Findings

NASA Technical Reports Server (NTRS)

Niedermeyer, Mindy; Clinton, R. G., Jr. (Technical Monitor)

2000-01-01

This presentation focuses on the tank history, test objectives, failure description, investigation and conclusions. The test objectives include verify structural integrity at 105% expected flight load limit varying the following parameters: cryogenic temperature; internal pressure; and mechanical loading. The Failure description includes structural component of the aft body, quad-lobe design, and sandwich - honeycomb graphite epoxy construction.

Behavior of reinforcement SCC beams under elevated temperatures

NASA Astrophysics Data System (ADS)

Fathi, Hamoon; Farhang, Kianoosh

2015-09-01

This experimental study focuses on the behavior of heated reinforced concrete beams. Four types of concrete mixtures were used for the tested self-compacting concrete beams. A total of 72 reinforced concrete beams and 72 standard cylindrical specimens were tested. The compressive strength under uniaxial loading at 23 °C ranged from 30 to 45 MPa. The specimens were exposed to different temperatures. The test parameters of interest were the compressive strength and the temperature of the specimens. The effect of changes in the parameters was examined so as to control the behavior of the tested concrete and that of the reinforced concrete beam. The results indicated that flexibility and compressive strength of the reinforced concrete beams decreased at higher temperatures. Furthermore, heating beyond 400 °C produced greater variations in the structural behavior of the materials in both the cylindrical samples and the reinforced concrete beams.

First-Principles Study of Structural, Electronic, Optical, and Thermal Properties of BeSiSb2 and MgSiSb2

NASA Astrophysics Data System (ADS)

Benlamari, S.; Boukhtouta, M.; Taïri, L.; Meradji, H.; Amirouche, L.; Ghemid, S.

2018-03-01

Structural, electronic, optical, and thermal properties of ternary II-IV-V2 (BeSiSb2 and MgSiSb2) chalcopyrite semiconductors have been calculated using the full-potential linearized augmented plane wave scheme␣in the generalized gradient approximation. The optimized equilibrium structural parameters ( a, c, and u) are in good agreement with theoretical results obtained using other methods. The band structure and density of states reveal that BeSiSb2 has an indirect (Γ-Z) bandgap of about 0.61 eV, whereas MgSiSb2 has a direct (Γ-Γ) bandgap of 0.80 eV. The dielectric function, refractive index, and extinction coefficient were calculated to investigate the optical properties, revealing that BeSiSb2 and MgSiSb2 present very weak birefringence. The temperature dependence of the volume, bulk modulus, Debye temperature, and heat capacities ( C v and C p) was predicted using the quasiharmonic Debye model at different pressures. Significant differences in properties are observed at high pressure and high temperature. We predict that, at 300 K and 0 GPa, the heat capacity at constant volume C v, heat capacity at constant pressure C P, Debye temperature θ D, and Grüneisen parameter γ will be about 94.91 J/mol K, 98.52 J/mol K, 301.30 K, and 2.11 for BeSiSb2 and about 96.08 J/mol K, 100.47 J/mol K, 261.38 K, and 2.20 for MgSiSb2, respectively.

The effects of different heat treatment annealing on structural properties of LaFe11.5Si1.5 compound

NASA Astrophysics Data System (ADS)

Norizan, Yang Nurhidayah Asnida; Din, Muhammad Faiz Md; Zamri, Wan Fathul Hakim W.; Hashim, Fakroul Ridzuan; Jusoh, Mohd Taufik; Rahman, Mohd Rashid Abdul

2018-02-01

The cubic NaZn13-type LaFe13-xSix based compounds have been studied systematically and has become one of the most interesting systems for exploring large MCE. Its magnetic properties are strongly doping dependent and provides many of advantage compare to other as magnetic materials for magnetic refrigerator application. In other to produce high quality of cubic NaZn13-type structure, the structural properties of LaFe11.5Si1.5 compounds annealed at different temperature have been investigated. The LaFe11.5Si1.5 compounds was prepared by arc melting and annealed at two different heat treatment which are 1323 K for 14 days and 1523 K for 4 hour. The powder X-ray diffraction (XRD) shows that a short time and high temperature annealing process has benefits for the formation of the NaZn13-type phase compared to a long time and low temperature annealing process. This is shown by the weight fraction of cubic NaZn13- type structure increases from 80% for low temperature annealing to 83% for high temperature annealing. At the same time, high temperature annealing increase the main structure and decrease the impurity (α-Fe and LaFeSi). Furthermore, it can be clearly seen in the Rietveld refinement results that the lattice parameter is increase at the high temperature annealing because of more cubic NaZn13 is formed at higher temperature.

A novel pressure variation study on electronic structure, mechanical stability and thermodynamic properties of potassium based fluoroperovskite

NASA Astrophysics Data System (ADS)

Erum, Nazia; Azhar Iqbal, Muhammad

2017-09-01

The effect of pressure variation on stability, structural parameters, elastic constants, mechanical, electronic and thermodynamic properties of cubic SrKF3 fluoroperovskite have been investigated by using the full-potential linearized augmented plane wave (FP-LAPW) method combined with Quasi-harmonic Debye model in which the phonon effects are considered. The calculated lattice parameters show a prominent decrease in lattice constant and bonds length with the increase in pressure. The application of pressure from 0 to 25 GPa reveals a predominant characteristic associated with widening of bandgap with GGA and GGA plus Tran-Blaha modified Becke-Johnson (TB-mBJ) potential. The influence of pressure on elastic constants and their related mechanical parameters have been discussed in detail. Apart of linear dependence of elastic coefficients, transition from brittle to ductile behavior is also observed at elevated pressure ranges. We have successfully computed variation of lattice constant, volume expansion, bulk modulus, Debye temperature and specific heat capacities at pressure and temperature in the range of 0-25 GPa and 0-600 K.

Pyroelectric property of SrTiO3/Si ferroelectric-semiconductor heterojunctions near room temperature

NASA Astrophysics Data System (ADS)

Bai, Gang; Wu, Dongmei; Xie, Qiyun; Guo, Yanyan; Li, Wei; Deng, Licheng; Liu, Zhiguo

2015-12-01

A nonlinear thermodynamic formalism is developed to calculate the pyroelectric property of epitaxial single domain SrTiO3/Si heterojunctions by taking into account the thermal expansion misfit strain at different temperatures. It has been demonstrated that the crucial role was played by the contribution associated with the structure order parameter arising from the rotations of oxygen octahedral on pyroelectricity. A dramatic decrease in the pyroelectric coefficient due to the strong coupling between the polarization and the structure order parameter is found at ferroelectric TF1-TF2 phase transition. At the same time, the thermal expansion mismatch between film and substrate is also found to provide an additional weak decrease of pyroelectricity. The analytic relationship of the out-of-plane pyroelectric coefficient and dielectric constant of ferroelectric phases by considering the thermal expansion of thin films and substrates has been determined for the first time. Our research provides another avenue for the investigation of the pyroelectric effects of ferroic thin films, especially, such as antiferroelectric and multiferroic materials having two or more order parameters.

Complex structures of different CaFe2As2 samples

PubMed Central

Saparov, Bayrammurad; Cantoni, Claudia; Pan, Minghu; Hogan, Thomas C.; II, William Ratcliff; Wilson, Stephen D.; Fritsch, Katharina; Gaulin, Bruce D.; Sefat, Athena S.

2014-01-01

The interplay between magnetism and crystal structures in three CaFe2As2 samples is studied. For the nonmagnetic quenched crystals, different crystalline domains with varying lattice parameters are found, and three phases (orthorhombic, tetragonal, and collapsed tetragonal) coexist between TS = 95 K and 45 K. Annealing of the quenched crystals at 350°C leads to a strain relief through a large (~1.3%) expansion of the c-parameter and a small (~0.2%) contraction of the a-parameter, and to local ~0.2 Å displacements at the atomic-level. This annealing procedure results in the most homogeneous crystals for which the antiferromagnetic and orthorhombic phase transitions occur at TN/TS = 168(1) K. In the 700°C-annealed crystal, an intermediate strain regime takes place, with tetragonal and orthorhombic structural phases coexisting between 80 to 120 K. The origin of such strong shifts in the transition temperatures are tied to structural parameters. Importantly, with annealing, an increase in the Fe-As length leads to more localized Fe electrons and higher local magnetic moments on Fe ions. Synergistic contribution of other structural parameters, including a decrease in the Fe-Fe distance, and a dramatic increase of the c-parameter, which enhances the Fermi surface nesting in CaFe2As2, are also discussed. PMID:24844399

Low-temperature synthesis and structural properties of ferroelectric K 3WO 3F 3 elpasolite

NASA Astrophysics Data System (ADS)

Atuchin, V. V.; Gavrilova, T. A.; Kesler, V. G.; Molokeev, M. S.; Aleksandrov, K. S.

2010-06-01

Low-temperature ferroelectric G2 polymorph of K 3WO 3F 3 has been prepared by chemical synthesis. Structural and chemical properties of the final product have been evaluated with X-ray powder diffraction (XRD), scanning electron microscopy (SEM) and X-ray photoelectron spectroscopy (XPS). Structure parameters of G2-K 3WO 3F 3 are refined by the Rietveld method from XRD data measured at room temperature (space group Cm, Z = 2, a = 8.7350(3) Å, b = 8.6808(5) Å, c = 6.1581(3) Å, β = 135.124(3) Å, V = 329.46(3) Å 3; RB = 2.47%). Partial ordering of oxygen and fluorine atoms has been found over anion positions. Mechanism of ferroelectric phase transition in A 2BMO 3F 3 oxyfluorides is discussed.

Two distinct superconducting phases in LiFeAs

PubMed Central

Nag, P. K.; Schlegel, R.; Baumann, D.; Grafe, H.-J.; Beck, R.; Wurmehl, S.; Büchner, B.; Hess, C.

2016-01-01

A non-trivial temperature evolution of superconductivity including a temperature-induced phase transition between two superconducting phases or even a time-reversal symmetry breaking order parameter is in principle expected in multiband superconductors such as iron-pnictides. Here we present scanning tunnelling spectroscopy data of LiFeAs which reveal two distinct superconducting phases: at = 18 K a partial superconducting gap opens, evidenced by subtle, yet clear features in the tunnelling spectra, i.e. particle-hole symmetric coherence peak and dip-hump structures. At Tc = 16 K, these features substantiate dramatically and become characteristic of full superconductivity. Remarkably, the distance between the dip-hump structures and the coherence peaks remains practically constant in the whole temperature regimeT ≤ . This rules out the connection of the dip-hump structures to an antiferromagnetic spin resonance. PMID:27297474

Non-linear thermal evolution of the crystal structure and phase transitions of LaFeO{sub 3} investigated by high temperature X-ray diffraction

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

Selbach, Sverre M.; Tolchard, Julian R.; Fossdal, Anita

2012-12-15

The crystal structure, anisotropic thermal expansion and structural phase transition of the perovskite LaFeO{sub 3} has been studied by high-temperature X-ray diffraction from room temperature to 1533 K. The structural evolution of the orthorhombic phase with space group Pbnm and the rhombohedral phase with R3{sup Macron }c structure of LaFeO{sub 3} is reported in terms of lattice parameters, thermal expansion coefficients, atomic positions, octahedral rotations and polyhedral volumes. Non-linear lattice expansion across the antiferromagnetic to paramagnetic transition of LaFeO{sub 3} at T{sub N}=735 K was compared to the corresponding behavior of the ferroelectric antiferromagnet BiFeO{sub 3} to gain insight tomore » the magnetoelectric coupling in BiFeO{sub 3}, which is also multiferroic. The first order phase transition of LaFeO{sub 3} from Pbnm to R3{sup Macron }c was observed at 1228{+-}9 K, and a subsequent transition to Pm3{sup Macron }m was extrapolated to occur at 2140{+-}30 K. The stability of the Pbnm and R3{sup Macron }c polymorphs of LaFeO{sub 3} is discussed in terms of the competing enthalpy and entropy of the two crystal polymorphs and the thermal evolution of the polyhedral volume ratio V{sub A}/V{sub B}. - Graphical abstract: Aniostropic thermal evolution of the lattice parameters and phase transition of LaFeO{sub 3}. Highlights: Black-Right-Pointing-Pointer The crystal structure of LaFeO{sub 3} is studied by HTXRD from RT to 1533 K. Black-Right-Pointing-Pointer A non-linear expansion across the Neel temperature is observed for LaFeO{sub 3}. Black-Right-Pointing-Pointer The ratio V{sub A}/V{sub B} is used to rationalize the thermal evolution of the structure.« less

Research on dual-parameter optical fiber sensor based on thin-core fiber and spherical structure

NASA Astrophysics Data System (ADS)

Tong, Zhengrong; Wang, Xue; Zhang, Weihua; Xue, Lifang

2018-04-01

A novel dual-parameter optical fiber sensor is proposed and experimentally demonstrated. The proposed sensor is based on a fiber in-line Mach-Zehnder interferometer, which is fabricated by sandwiching a section of thin-core fiber between two spherical structures made of single-mode fibers. The transmission spectrum exhibits the response of the interference between the core and the different cladding modes. Due to the different wavelength shifts of the two selected dips, the simultaneous measurement of temperature and the surrounding refractive index can be achieved. The measured temperature sensitivities are 0.067 nm/°C and 0.050 nm/°C, and the refractive index sensitivities are  -119.9 nm/RIU and  -69.71 nm/RIU, respectively. In addition, the compact size, simple fabrication and cost-effectiveness of the fiber sensor are also advantages.

Study of the electromagnetic characteristics of multiple HTSPPT modules based on the configuration of toroidal structure for inductive pulsed power supply

NASA Astrophysics Data System (ADS)

Zhang, Cunshan; Zheng, Xinxin; Li, Haitao; Li, Zhenmei; Zhang, Tao; Jiao, Can

2018-04-01

High temperature superconducting pulsed power transformer (HTSPPT) is an important device for pulsed power supplies. It consists of a superconducting primary and a normal conducting secondary, which is used for energy storage and current amplification. The critical current density, the energy storage, and the coupling coefficient are three main performance indexes. They are affected by the geometry parameters of HTSPPT modules, such as the height and the width of the superconducting coils. In addition, the hoop stress of the HTSPPT coils is limited by the maximum tensile strength of high temperature superconducting (HTS) tapes. In this paper, Bi-2223/Ag HTS tapes are selected as the wire of primary inductor and the toroidal structure model is selected for multiple HTSPPT modules. The relationships between the geometry parameters of HTSPPT modules and the electrical performance are studied.

Modeling and characterization of double resonant tunneling diodes for application as energy selective contacts in hot carrier solar cells

NASA Astrophysics Data System (ADS)

Jehl, Zacharie; Suchet, Daniel; Julian, Anatole; Bernard, Cyril; Miyashita, Naoya; Gibelli, Francois; Okada, Yoshitaka; Guillemolles, Jean-Francois

2017-02-01

Double resonant tunneling barriers are considered for an application as energy selective contacts in hot carrier solar cells. Experimental symmetric and asymmetric double resonant tunneling barriers are realized by molecular beam epitaxy and characterized by temperature dependent current-voltage measurements. The negative differential resistance signal is enhanced for asymmetric heterostructures, and remains unchanged between low- and room-temperatures. Within Tsu-Esaki description of the tunnel current, this observation can be explained by the voltage dependence of the tunnel transmission amplitude, which presents a resonance under finite bias for asymmetric structures. This effect is notably discussed with respect to series resistance. Different parameters related to the electronic transmission of the structure and the influence of these parameters on the current voltage characteristic are investigated, bringing insights on critical processes to optimize in double resonant tunneling barriers applied to hot carrier solar cells.

Cation displacements and the structures of the superconducting pyrochlore osmates AOs2O6 ( A=K , Rb, and Cs)

NASA Astrophysics Data System (ADS)

Galati, Rosa; Simon, Charles; Henry, Paul F.; Weller, Mark T.

2008-03-01

Variable temperature, 2K

Effects of Process Parameters on Solidification Structure of A390 Aluminum Alloy Hollow Billet

NASA Astrophysics Data System (ADS)

Zuo, Kesheng; Zhang, Haitao; Qin, Ke; Cui, Jianzhong; Chen, Qingzhang

2017-08-01

The effects of process parameters on the solidification structure of A390 aluminum alloy hollow billets prepared by direct-chill casting were investigated. The decrease of casting temperature deteriorated the homogeneity and increased the size of primary Si particles in the hollow billet. Although the average size of primary Si particles was not obviously affected by the increase of casting speed, the thickness of Si-depleted layer at the inner wall increased with the higher casting speed. The tensile strength of A390 alloy is a function of the percentage of coarse Si particles (larger than 35 μm) and the average size of primary Si particles. Higher and more stable tensile strength can be received in the hollow billet with the casting temperature of 1050 K (777 °C), because the fine and uniformly distributed primary Si particles were obtained in the hollow billet.

Natural convection heat transfer in water near its density maximum

NASA Astrophysics Data System (ADS)

Yen, Yin-Chao

1990-12-01

This monograph reviews and summarizes to date the experimental and analytical results on the effect of water density near its maximum convection, transient flow and temperature structure characteristics: (1) in a vertical enclosure; (2) in a vertical annulus; (3) between horizontal concentric cylinders; (4) in a square enclosure; (5) in a rectangular enclosure; (6) in a horizontal layer; (7) in a circular confined melt layer; and (8) in bulk water during melting. In a layer of water containing a maximum density temperature of 4 C, the onset of convection (the critical number) is found not to be a constant value as in the classical normal fluid but one that varies with the imposed thermal and hydrodynamic boundaries. In horizontal layers, a nearly constant temperature zone forms and continuously expands between the warm and cold boundaries. A minimum heat transfer exists in most of the geometries studied and, in most cases, can be expressed in terms of a density distribution parameter. The effect of this parameter on a cells formation, disappearance and transient structure is discussed, and the effect of split boundary flow on heat transfer is presented.

Influence of the welding temperature and the welding speed on the mechanical properties of friction stir welds in EN AW-2219-T87

NASA Astrophysics Data System (ADS)

Bachmann, A.; Krutzlinger, M.; Zaeh, M. F.

2018-06-01

Friction Stir Welding (FSW) is an innovative joining technique, which has proven to produce high quality joints in high strength aluminum alloys. Consequently, it is commonly used to manufacture lightweight aerospace structures with stringent requirements. For these structures, it is necessary to ensure a high ultimate tensile strength (UTS). Various studies have reported that the UTS is significantly influenced by the welding parameters. Samples welded with different parameter sets showed a considerably different UTS, despite being free from detectable welding defects (e.g. tunnel defect, voids, or lack of penetration). Based on the observations in the literature, a hypothesis was posed. The welding temperature along with the welding speed determine the UTS of the weld. This study aims to prove this hypothesis experimentally by using temperature-controlled FSW to join plates of EN AW-2219-T87 in butt joint configuration. The welded samples were examined using visual inspection, metallography, X-ray imaging, and uniaxial tensile tests. Finally, a statistical analysis was conducted. Hereby, the hypothesis was confirmed.

High-temperature annealing of graphite: A molecular dynamics study

NASA Astrophysics Data System (ADS)

Petersen, Andrew; Gillette, Victor

2018-05-01

A modified AIREBO potential was developed to simulate the effects of thermal annealing on the structure and physical properties of damaged graphite. AIREBO parameter modifications were made to reproduce Density Functional Theory interstitial results. These changes to the potential resulted in high-temperature annealing of the model, as measured by stored-energy reduction. These results show some resemblance to experimental high-temperature annealing results, and show promise that annealing effects in graphite are accessible with molecular dynamics and reactive potentials.

Distribution of thermal neutrons in a temperature gradient

NASA Astrophysics Data System (ADS)

Molinari, V. G.; Pollachini, L.

A method to determine the spatial distribution of the thermal spectrum of neutrons in heterogeneous systems is presented. The method is based on diffusion concepts and has a simple mathematical structure which increases computing efficiency. The application of this theory to the neutron thermal diffusion induced by a temperature gradient, as found in nuclear reactors, is described. After introducing approximations, a nonlinear equation system representing the neutron temperature is given. Values of the equation parameters and its dependence on geometrical factors and media characteristics are discussed.

ATM observations - X-ray results. [solar coronal structure from Skylab experiments

NASA Technical Reports Server (NTRS)

Vaiana, G. S.; Zombeck, M.; Krieger, A. S.; Timothy, A. F.

1976-01-01

Preliminary results of the solar X-ray observations from Skylab are reviewed which indicate a highly structured nature for the corona, with closed magnetic-loop structures over a wide range of size scales. A description of the S-054 experiments is provided, and values are given for the parameters - including size, density, and temperature - describing a variety of typical coronal features. The structure and evolution of active regions, coronal holes, and bright points are discussed.

Cooperative structural transitions in amyloid-like aggregation

NASA Astrophysics Data System (ADS)

Steckmann, Timothy; Bhandari, Yuba R.; Chapagain, Prem P.; Gerstman, Bernard S.

2017-04-01

Amyloid fibril aggregation is associated with several horrific diseases such as Alzheimer's, Creutzfeld-Jacob, diabetes, Parkinson's, and others. Although proteins that undergo aggregation vary widely in their primary structure, they all produce a cross-β motif with the proteins in β-strand conformations perpendicular to the fibril axis. The process of amyloid aggregation involves forming myriad different metastable intermediate aggregates. To better understand the molecular basis of the protein structural transitions and aggregation, we report on molecular dynamics (MD) computational studies on the formation of amyloid protofibrillar structures in the small model protein ccβ, which undergoes many of the structural transitions of the larger, naturally occurring amyloid forming proteins. Two different structural transition processes involving hydrogen bonds are observed for aggregation into fibrils: the breaking of intrachain hydrogen bonds to allow β-hairpin proteins to straighten, and the subsequent formation of interchain H-bonds during aggregation into amyloid fibrils. For our MD simulations, we found that the temperature dependence of these two different structural transition processes results in the existence of a temperature window that the ccβ protein experiences during the process of forming protofibrillar structures. This temperature dependence allows us to investigate the dynamics on a molecular level. We report on the thermodynamics and cooperativity of the transformations. The structural transitions that occurred in a specific temperature window for ccβ in our investigations may also occur in other amyloid forming proteins but with biochemical parameters controlling the dynamics rather than temperature.

Dielectric relaxation studies of binary mixture of β-picoline and methanol using time domain reflectometry at different temperatures

NASA Astrophysics Data System (ADS)

Trivedi, C. M.; Rana, V. A.; Hudge, P. G.; Kumbharkhane, A. C.

2016-08-01

Complex permittivity spectra of binary mixtures of varying concentrations of β-picoline and Methanol (MeOH) have been obtained using time domain reflectometry (TDR) technique over frequency range 10 MHz to 25 GHz at 283.15, 288.15, 293.15 and 298.15 K temperatures. The dielectric relaxation parameters namely static permittivity (ɛ0), high frequency limit permittivity (ɛ∞1) and the relaxation time (τ) were determined by fitting complex permittivity data to the single Debye/Cole-Davidson model. Complex nonlinear least square (CNLS) fitting procedure was carried out using LEVMW software. The excess permittivity (ɛ0E) and the excess inverse relaxation time (1/τ)E which contain information regarding molecular structure and interaction between polar-polar liquids were also determined. From the experimental data, parameters such as effective Kirkwood correlation factor (geff), Bruggeman factor (fB) and some thermo dynamical parameters have been calculated. Excess parameters were fitted to the Redlich-Kister polynomial equation. The values of static permittivity and relaxation time increase nonlinearly with increase in the mol-fraction of MeOH at all temperatures. The values of excess static permittivity (ɛ0E) and the excess inverse relaxation time (1/τ)E are negative for the studied β-picoline — MeOH system at all temperatures.

Temperature responses of individual soil organic matter components

NASA Astrophysics Data System (ADS)

Feng, Xiaojuan; Simpson, Myrna J.

2008-09-01

Temperature responses of soil organic matter (SOM) remain unclear partly due to its chemical and compositional heterogeneity. In this study, the decomposition of SOM from two grassland soils was investigated in a 1-year laboratory incubation at six different temperatures. SOM was separated into solvent extractable compounds, suberin- and cutin-derived compounds, and lignin-derived monomers by solvent extraction, base hydrolysis, and CuO oxidation, respectively. These SOM components have distinct chemical structures and stabilities and their decomposition patterns over the course of the experiment were fitted with a two-pool exponential decay model. The stability of SOM components was also assessed using geochemical parameters and kinetic parameters derived from model fitting. Compared with the solvent extractable compounds, a low percentage of lignin monomers partitioned into the labile SOM pool. Suberin- and cutin-derived compounds were poorly fitted by the decay model, and their recalcitrance was shown by the geochemical degradation parameter (ω - C16/∑C16), which was observed to stabilize during the incubation. The temperature sensitivity of decomposition, expressed as Q10, was derived from the relationship between temperature and SOM decay rates. SOM components exhibited varying temperature responses and the decomposition of lignin monomers exhibited higher Q10 values than the decomposition of solvent extractable compounds. Our study shows that Q10 values derived from soil respiration measurements may not be reliable indicators of temperature responses of individual SOM components.

Adaptive Heat Engine.

PubMed

Allahverdyan, A E; Babajanyan, S G; Martirosyan, N H; Melkikh, A V

2016-07-15

A major limitation of many heat engines is that their functioning demands on-line control and/or an external fitting between the environmental parameters (e.g., temperatures of thermal baths) and internal parameters of the engine. We study a model for an adaptive heat engine, where-due to feedback from the functional part-the engine's structure adapts to given thermal baths. Hence, no on-line control and no external fitting are needed. The engine can employ unknown resources; it can also adapt to results of its own functioning that make the bath temperatures closer. We determine resources of adaptation and relate them to the prior information available about the environment.

Turbulent circulation above the surface heat source in a stably stratified environment

NASA Astrophysics Data System (ADS)

Kurbatskii, A. F.; Kurbatskaya, L. I.

2016-09-01

The results of the numerical modeling of turbulent structure of the penetrating convection above the urban heat island with a small aspect ratio in a stably stratified medium at rest are presented. The gradient diffusion representations for turbulent momentum and heat fluxes are used, which depend on three parameters — the turbulence kinetic energy, the velocity of its spectral expenditure, and the dispersion of temperature fluctuations. These parameters are found from the closed differential equations of balance in the RANS approach of turbulence description. The distributions of averaged velocity and temperature fields as well as turbulent characteristics agree well with measurement data.

Impact of elevated temperatures on specific leaf weight, stomatal density, photosynthesis and chlorophyll fluorescence in soybean.

PubMed

Jumrani, Kanchan; Bhatia, Virender Singh; Pandey, Govind Prakash

2017-03-01

High-temperature stress is a major environmental stress and there are limited studies elucidating its impact on soybean (Glycine max L. Merril.). The objectives of present study were to quantify the effect of high temperature on changes in leaf thickness, number of stomata on adaxial and abaxial leaf surfaces, gas exchange, chlorophyll fluorescence parameters and seed yield in soybean. Twelve soybean genotypes were grown at day/night temperatures of 30/22, 34/24, 38/26 and 42/28 °C with an average temperature of 26, 29, 32 and 35 °C, respectively, under greenhouse conditions. One set was also grown under ambient temperature conditions where crop season average maximum, minimum and mean temperatures were 28.0, 22.4 and 25.2 °C, respectively. Significant negative effect of temperature was observed on specific leaf weight (SLW) and leaf thickness. Rate of photosynthesis, stomatal conductance and water use efficiency declined as the growing temperatures increased; whereas, intercellular CO 2 and transpiration rate were increased. With the increase in temperature chlorophyll fluorescence parameters such as Fv/Fm, qP and PhiPSII declined while there was increase in qN. Number of stomata on both abaxial and adaxial surface of leaf increased significantly with increase in temperatures. The rate of photosynthesis, PhiPSII, qP and SPAD values were positively associated with leaf thickness and SLW. This indicated that reduction in photosynthesis and associated parameters appears to be due to structural changes observed at higher temperatures. The average seed yield was maximum (13.2 g/pl) in plants grown under ambient temperature condition and declined by 8, 14, 51 and 65% as the temperature was increased to 30/22, 34/24, 38/26 and 42/28 °C, respectively.

POSS Ionic Liquid.

PubMed

Tanaka, Kazuo; Ishiguro, Fumiyasu; Chujo, Yoshiki

2010-12-22

We report the synthesis of a stable room-temperature ionic liquid consisting of an octacarboxy polyhedral oligomeric silsesquioxane (POSS) anion and an imidazolium cation. The introduction of the POSS moiety enhances the thermal stability and reduces the melting temperature. From an evaluation of the thermodynamic parameters during the melting, it was found that the rigidity and cubic structure of POSS can contribute to the enhancement of these thermal properties.

Crystal structure, phase transition and structural deformations in iron borate (Y0.95Bi0.05)Fe3(BO3)4 in the temperature range 90-500 K.

PubMed

Smirnova, Ekaterina S; Alekseeva, Olga A; Dudka, Alexander P; Artemov, Vladimir V; Zubavichus, Yan V; Gudim, Irina A; Bezmaterhykh, Leonard N; Frolov, Kirill V; Lyubutin, Igor S

2018-04-01

An accurate X-ray diffraction study of (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 single crystals in the temperature range 90-500 K was performed on a laboratory diffractometer and used synchrotron radiation. It was established that the crystal undergoes a diffuse structural phase transition in the temperature range 350-380 K. The complexity of localization of such a transition over temperature was overcome by means of special analysis of systematic extinction reflections by symmetry. The transition temperature can be considered to be T str ≃ 370 K. The crystal has a trigonal structure in the space group P3 1 21 at temperatures of 90-370 K, and it has a trigonal structure in the space group R32 at 375-500 K. There is one type of chain formed by the FeO 6 octahedra along the c axis in the R32 phase. When going into the P3 1 21 phase, two types of nonequivalent chains arise, in which Fe atoms are separated from the Y atoms by a different distance. Upon lowering the temperature from 500 to 90 K, a distortion of the Y(Bi)O 6 , FeO 6 , B(2,3)O 3 coordination polyhedra is observed. The distances between atoms in helical Fe chains and Fe-O-Fe angles change non-uniformly. A sharp jump in the equivalent isotropic displacement parameters of O1 and O2 atoms within the Fe-Fe chains and fluctuations of the equivalent isotropic displacement parameters of B2 and B3 atoms were observed in the region of structural transition as well as noticeable elongation of O1, O2, B2, B3, Fe1, Fe2 atomic displacement ellipsoids. It was established that the helices of electron density formed by Fe, O1 and O2 atoms may be structural elements determining chirality, optical activity and multiferroicity of rare-earth iron borates. Compression and stretching of these helices account for the symmetry change and for the manifestation of a number of properties, whose geometry is controlled by an indirect exchange interaction between iron cations that compete with the thermal motion of atoms in the structure. Structural analysis detected these changes as variations of a number of structural characteristics in the c unit-cell direction, that is, the direction of the helices. Structural results for the local surrounding of the atoms in (Y 0.95 Bi 0.05 )Fe 3 (BO 3 ) 4 were confirmed by EXAFS and Mössbauer spectroscopies.

Orientational ordering of lamellar structures on closed surfaces

NASA Astrophysics Data System (ADS)

PÈ©kalski, J.; Ciach, A.

2018-05-01

Self-assembly of particles with short-range attraction and long-range repulsion interactions on a flat and on a spherical surface is compared. Molecular dynamics simulations are performed for the two systems having the same area and the density optimal for formation of stripes of particles. Structural characteristics, e.g., a cluster size distribution, a number of defects, and an orientational order parameter (OP), as well as the specific heat, are obtained for a range of temperatures. In both cases, the cluster size distribution becomes bimodal and elongated clusters appear at the temperature corresponding to the maximum of the specific heat. When the temperature decreases, orientational ordering of the stripes takes place and the number of particles per cluster or stripe increases in both cases. However, only on the flat surface, the specific heat has another maximum at the temperature corresponding to a rapid change of the OP. On the sphere, the crossover between the isotropic and anisotropic structures occur in a much broader temperature interval; the orientational order is weaker and occurs at significantly lower temperature. At low temperature, the stripes on the sphere form spirals and the defects resemble defects in the nematic phase of rods adsorbed at a sphere.

Room temperature deposition of superconducting NbN for superconductor-insulator-superconductor junctions

NASA Technical Reports Server (NTRS)

Thakoor, S.; Leduc, H. G.; Thakoor, A. P.; Lambe, J.; Khanna, S. K.

1986-01-01

The deposition of stoichiometric B1-crystal-structure (111) NbN films on glass or sapphire substrates by reactive dc magnetron sputtering is reported. High-purity Ar-N2 mixtures are used in the apparatus described by Thakoor et al. (1985), and typical deposition parameters are given as background pressure about 10 ntorr, voltage -325 V, current 1 A, deposition rate 1.35 nm/s, film thickness 500 nm, P(Ar) 5-17 mtorr, initial P(N2) 2-6 mtorr, and room temperature. The N2 consumption-injection characteristics are studied and found to control NbN formation using well-conditioned Nb targets. Films with transition temperatures 15-16 K are obtained at P(Ar) = 12.9 + or - 0.2 mtorr and P(N2) = 3.7 + or - 0.1 mtorr. SIS junctions of area about 0.001 sq cm fabricated using the NbN films are shown to have I-V characteristics with nonlinearity parameter about 110 and NbN superconducting-gap parameter Delta = about 2.8 meV.

Microscopic theory of vortex interaction in two-band superconductors and type-1.5 superconductivity

NASA Astrophysics Data System (ADS)

Silaev, Mihail; Babaev, Egor

2011-03-01

In the framework of self-consistent microscopic theory we study the structure and interaction of vortices in two-gap superconductor taking into account the interband Josephson coupling. The asymptotical behavior of order parameter densities and magnetic field is studied analytically within the microscopic theory at low temperature. At higher temperatures, results consistent with Ginzburg-Landau theory are obtained. It is shown that under quite general conditions and in a wide temperature ranges (in particular outside the validity of the Ginzburg-Landau theory) there can exist an additional characteristic length scale of the order parameter density variation which exceeds the London penetration length of magnetic field due to the multi-component nature of superconducting state. Such behavior of order parameter density variation leads to the attractive long-range and repulsive short-range interaction between vortices. Supported by NSF CAREER Award DMR-0955902, Knut and Alice Wallenberg Foundation through the Royal Swedish Academy of Sciences and Swedish Research Council, ''Dynasty'' foundation and Russian Foundation for Basic Research.

Effect of rare-earth substitution at La-site on structural, electrical and thermoelectric properties of La0.7-xRExSr0.3MnO3 compounds (x = 0, 0.2, 0.3; RE = Eu, Gd, Y)

NASA Astrophysics Data System (ADS)

Choudhary, Y. R. S.; Mangavati, Suraj; Patil, Siddanagouda; Rao, Ashok; Nagaraja, B. S.; Thomas, Riya; Okram, G. S.; Kini, Savitha G.

2018-04-01

In the present communication, we present results on the effect of rare-earth (RE) substitution at La-site on the structural, electrical and thermoelectric properties of La0.7-xRExSr0.3MnO3 compounds. The lattice parameters are observed to decrease with RE-doping which is attributed to the fact that the substituted RE ions (RE = Eu, Gd and Y) are smaller than that of La ion. In high temperature semiconducting regime, small polaron hopping (SPH) model is valid, whereas, variable hopping model is valid in low temperature metallic region. The resistivity in the entire temperature range follows percolation model. All the samples exhibit sign reversal in thermopower, S. From temperature dependent S data, it is seen that SPH model is applicable in high temperature regime.

High-Temperature and High-Pressure Study of Electronic and Thermal Properties of PbTaO3 and SnAlO3 Metal Perovskites by Density Functional Theory Calculations

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Ganai, Zahid Saleem; Gupta, Dinesh C.; Parrey, Khursheed Ahmad

2018-01-01

First principles calculations on the thermodynamic properties of PbTaO3 and SnAlO3 in a temperature range from 0 K to 800 K and pressure range from 0 GPa to 30 GPa have been carried out within the framework of density functional theory (DFT). The band structures of these oxides at different pressures display an increase in metallic character with a concomitant decrease in lattice constants, while the bulk modulus increases with increasing pressure. The thermal concert of these materials has been analyzed in terms of the temperature and pressure variation in Debye temperature, thermal expansion, entropy, and the Grüneisen parameter. Debye temperatures have been calculated from the elastic parameters as well as the quasi-harmonic Debye model, which are 339.07 GPa for PbTaO3 and 714.36 GPa for SnAlO3.

A hybrid model for river water temperature as a function of air temperature and discharge

NASA Astrophysics Data System (ADS)

Toffolon, Marco; Piccolroaz, Sebastiano

2015-11-01

Water temperature controls many biochemical and ecological processes in rivers, and theoretically depends on multiple factors. Here we formulate a model to predict daily averaged river water temperature as a function of air temperature and discharge, with the latter variable being more relevant in some specific cases (e.g., snowmelt-fed rivers, rivers impacted by hydropower production). The model uses a hybrid formulation characterized by a physically based structure associated with a stochastic calibration of the parameters. The interpretation of the parameter values allows for better understanding of river thermal dynamics and the identification of the most relevant factors affecting it. The satisfactory agreement of different versions of the model with measurements in three different rivers (root mean square error smaller than 1oC, at a daily timescale) suggests that the proposed model can represent a useful tool to synthetically describe medium- and long-term behavior, and capture the changes induced by varying external conditions.

Antiferroelectric films of deuterated betaine phosphate

NASA Astrophysics Data System (ADS)

Balashova, E. V.; Krichevtsov, B. B.; Svinarev, F. B.; Zaitseva, N. V.

2016-07-01

Thin films of partially deuterated betaine phosphate have been grown by the evaporation on Al2O3(110) and NdGaO3(001) substrates with a preliminarily deposited structure of interdigitated electrodes. The grown films have a polycrystalline block structure with characteristic dimensions of blocks of the order of 0.1-1.5 mm. The degree of deuteration of the films D varies in the range of 20-50%. It has been found that, at the antiferroelectric phase transition temperature T c afe = 100-114 K, the fabricated structures exhibit an anomaly of the electrical capacitance C, which is not accompanied by a change in the dielectric loss tangent tanδ. The strong-signal dielectric response is characterized by the appearance of a ferroelectric nonlinearity at temperatures T > T c afe , which is transformed into an antiferroelectric nonlinearity at T < T c afe . With a further decrease in the temperature, double dielectric hysteresis loops appear in the antiferroelectric phase. The dielectric properties of the films have been described within the framework of the Landau-type thermodynamic model taking into account the biquadratic coupling ξ P 2η2 between the polar order parameter P and the nonpolar order parameter η with a positive coefficient ξ. The E-T phase diagram has been constructed.

A non-typical sequence of phase transitions in (NH4)3GeF7: optical and structural characterization.

PubMed

Mel'nikova, S V; Molokeev, M S; Laptash, N M; Misyul, S V

2016-03-28

Single crystals of germanium double salt (NH4)3GeF7 = (NH4)2GeF6·NH4F = (NH4)3[GeF6]F were grown and studied by the methods of polarization optics and X-ray diffraction. The birefringence Δn = (no - ne), the rotation angle of the optical indicatrix ϕ(T) and unit cell parameters were measured in the temperature range 100-400 K. Three structural phase transitions were found at the temperatures: T1↓ = 279.2 K (T1↑ = 279.4 K), T2↑ = 270 K (T2↓ = 268.9 K), T3↓ = 218 K (T3↑ = 227 K). An unusual sequence of symmetry transformations with temperature change was established: P4/mbm (Z = 2) (G1) ↔ Pbam (Z = 4) (G2) ↔ P21/c (Z = 4) (G3) ↔ Pa3[combining macron] (Z = 8) (G4). The crystal structures of different phases were determined. The experimental data were additionally interpreted by a group-theoretical analysis of the complete condensate of order parameters taking into account the critical and noncritical atomic displacements. Strengthening of the N-HF hydrogen bonds can be a driving force of the observed phase transitions.

A thermo-elastoplastic model for soft rocks considering structure

NASA Astrophysics Data System (ADS)

He, Zuoyue; Zhang, Sheng; Teng, Jidong; Xiong, Yonglin

2017-11-01

In the fields of nuclear waste geological deposit, geothermy and deep mining, the effects of temperature on the mechanical behaviors of soft rocks cannot be neglected. Experimental data in the literature also showed that the structure of soft rocks cannot be ignored. Based on the superloading yield surface and the concept of temperature-deduced equivalent stress, a thermo-elastoplastic model for soft rocks is proposed considering the structure. Compared to the superloading yield surface, only one parameter is added, i.e. the linear thermal expansion coefficient. The predicted results and the comparisons with experimental data in the literature show that the proposed model is capable of simultaneously describing heat increase and heat decrease of soft rocks. A stronger initial structure leads to a greater strength of the soft rocks. Heat increase and heat decrease can be converted between each other due to the change of the initial structure of soft rocks. Furthermore, regardless of the heat increase or heat decrease, a larger linear thermal expansion coefficient or a greater temperature always leads to a much rapider degradation of the structure. The degradation trend will be more obvious for the coupled greater values of linear thermal expansion coefficient and temperature. Lastly, compared to heat decrease, the structure will degrade more easily in the case of heat increase.

Crystal structure, electronic structure, and photoluminescent properties of SrMoO{sub 4}:Tb{sup 3+} phosphors

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

Park, Sung Wook; Moon, Byung Kee; Jeong, Jung Hyun, E-mail: jhjeong@pknu.ac.kr

2015-10-15

Highlights: • SrMoO{sub 4}:Tb{sup 3+} phosphor samples were synthesized at different temperatures. • The crystal and electronic structures, and luminescence properties were studied. • The excitation peak shifts to red with increasing the sintering temperature. • The luminescence mechanism of SrMoO{sub 4}:Tb{sup 3+} was suggested. - Abstract: The experimental and theoretical studies of the optical properties of SrMoO{sub 4}:Tb{sup 3+} phosphors were carried out. The structural, optical, and electronical properties of the phosphors were systematically studied. The phosphor samples were crystallized at different temperatures via a sol–gel method. Excitation spectra of SrMoO{sub 4}:Tb{sup 3+} powder samples exhibited gradual red shiftmore » and luminescent intensity changed with increasing the sintering temperature. Such spectral changes depend strongly on the crystallographic properties such as lattice parameters and crystallinity. The shift of the excitation spectra is mainly ascribed to the covalent bond interaction between Mo−O bonds. An energy band model was demonstrated to describe the luminescence mechanism in the material.« less

Toward understanding the structural heterogeneity and ion pair stability in dicationic ionic liquids.

PubMed

Li, Song; Bañuelos, José Leobardo; Zhang, Pengfei; Feng, Guang; Dai, Sheng; Rother, Gernot; Cummings, Peter T

2014-12-07

The structural and dynamical properties of dicationic ionic liquids (DILs) [Cn(mim)2](Tf2N)2, that is, 3-methylimidazolium dications separated by an alkyl chain and with bis(trifluoromethylsulfonyl)amide as the anion, were investigated by molecular dynamics (MD) simulation in combination with small/wide-angle X-ray scattering (SWAXS) measurements. Enhanced spatial heterogeneity is observed as the DIL chain length is increased, characterized by the changes in the scattering and the increased heterogeneity order parameter (HOP). Temperature variation imposes only slight influences on the local structures of DILs compared to monocationic ionic liquids (MILs). The peaks at 0.9 Å(-1) and 1.4 Å(-1) of the structure function shift towards low Q as the temperature increases, in a similar manner to MILs, and changes in peak positions in response to temperature changes are reflected in HOP variations. However, the prepeak shift with increasing temperature is ∼3 times smaller in DILs compared to MILs, and both MD and SWAXS indicate a DIL-specific prepeak shifting. Furthermore, the high ion pair/ion cage stability in DILs is indicative of high thermal stability and relative insensitivity of structural heterogeneity to temperature variation, which might be caused by the stronger Coulombic interactions in DILs.

Temperature insensitive curvature sensor based on cascading photonic crystal fiber

NASA Astrophysics Data System (ADS)

Fu, Guangwei; Li, Yunpu; Fu, Xinghu; Jin, Wa; Bi, Weihong

2018-03-01

A temperature insensitive curvature sensor is proposed based on cascading photonic crystal fiber. Using the arc fusion splicing method, this sensor is fabricated by cascading together a single-mode fiber (SMF), a three layers air holes structure of photonic crystal fiber (3PCF), a five layers air holes structure of photonic crystal fiber (5PCF) and a SMF in turn. So the structure SMF-3PCF-5PCF-SMF can be obtained with a total length of 20 mm. During the process of fabrication, the splicing machine parameters and the length of each optical fiber are adjusted to obtain a high sensitivity curvature sensor. The experimental results show that the curvature sensitivity is -8.40 nm/m-1 in the curvature variation range of 0-1.09 m-1, which also show good linearity. In the range of 30-90 °C, the temperature sensitivity is only about 3.24 pm/°C, indicating that the sensor is not sensitive to temperature. The sensor not only has the advantages of easy fabricating, simple structure, high sensitivity but also can solve the problem of temperature measurement cross sensitivity, so it can be used for different areas including aerospace, large-scale bridge, architectural structure health monitoring and so on.

SM-4 computer and CAMAC equipment in automating a ROMS-2A mass spectrometer

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

Bulgakov, R.Sh.; Gafurov, R.A.; Safin, D.N.

1988-05-01

A data acquisition system was developed which provides for measuring mass peaks on three parameters as well as measuring working parameters. The computer memory stores 40 kHz signals, with an ADC cycle time of 10 microsec. A structural diagram is given together with upgrades made in the CAMAC apparatus to improve the speed and extend the application. Working parameters such as the pressures in pipes and the temperature in the test zone can be monitored by splitting the measurements into two cycles alternating with a controlled frequency: gas composition and technological parameter measurement.

Ion-ion dynamic structure factor, acoustic modes, and equation of state of two-temperature warm dense aluminum

NASA Astrophysics Data System (ADS)

Harbour, L.; Förster, G. D.; Dharma-wardana, M. W. C.; Lewis, Laurent J.

2018-04-01

The ion-ion dynamical structure factor and the equation of state of warm dense aluminum in a two-temperature quasiequilibrium state, with the electron temperature higher than the ion temperature, are investigated using molecular-dynamics simulations based on ion-ion pair potentials constructed from a neutral pseudoatom model. Such pair potentials based on density functional theory are parameter-free and depend directly on the electron temperature and indirectly on the ion temperature, enabling efficient computation of two-temperature properties. Comparison with ab initio simulations and with other average-atom calculations for equilibrium aluminum shows good agreement, justifying a study of quasiequilibrium situations. Analyzing the van Hove function, we find that ion-ion correlations vanish in a time significantly smaller than the electron-ion relaxation time so that dynamical properties have a physical meaning for the quasiequilibrium state. A significant increase in the speed of sound is predicted from the modification of the dispersion relation of the ion acoustic mode as the electron temperature is increased. The two-temperature equation of state including the free energy, internal energy, and pressure is also presented.

Uniform Atmospheric Retrievals of Ultracool Late-T and Early-Y dwarfs

NASA Astrophysics Data System (ADS)

Garland, Ryan; Irwin, Patrick

2017-10-01

A significant number of ultracool (<600K) extrasolar objects have been discovered in the past decade thanks to wide-field surveys such as WISE. These objects present a perfect testbed for examining the evolution of atmospheric structure as we transition from typically hot extrasolar temperatures to the temperatures found within our Solar System.By examining these types of objects with a uniform retrieval method, we hope to elucidate any trends and (dis)similarities found in atmospheric parameters, such as chemical abundances, temperature-pressure profile, and cloud structure, for a sample of 7 ultracool brown dwarfs as we transition from hotter (~700K) to colder objects (~450K).We perform atmospheric retrievals on two late-T and five early-Y dwarfs. We use the NEMESIS atmospheric retrieval code coupled to a Nested Sampling algorithm, along with a standard uniform model for all of our retrievals. The uniform model assumes the atmosphere is described by a gray radiative-convective temperature profile, (optionally) a gray cloud, and a number of relevant gases. We first verify our methods by comparing it to a benchmark retrieval for Gliese 570D, which is found to be consistent. Furthermore, we present the retrieved gaseous composition, temperature structure, spectroscopic mass and radius, cloud structure and the trends associated with decreasing temperature found in this small sample of objects.

Properties of L-ascorbic acid in water and binary aqueous mixtures of D-glucose and D-fructose at different temperatures

NASA Astrophysics Data System (ADS)

Sharma, Ravi; Thakur, R. C.; Sani, Balwinder; Kumar, Harsh

2017-12-01

Using density and sound velocity partial molar volumes, partial molar adiabatic compressibilities, partial molar expansibilities and structure of L-ascorbic acid have been determined in water and aqueous mixtures of D-glucose and D-fructose at different concentrations and temperatures. Masson's equation was used to analyze the measured data. The obtained parameters have been interpreted in terms of solute-solute and solute-solvent interactions. It is found that the L-ascorbic acid acts as structure breaker in water as well in binary studied mixtures.

Using Neutron Diffraction to Determine the Low-Temperature Behavior of Pb2+ in Lead Feldspar

NASA Astrophysics Data System (ADS)

Kolbus, L. M.; Anovitz, L. M.; Chakoumackos, B. C.; Wesolowski, D. J.

2014-12-01

Feldspar minerals comprise 60% of the Earth's crust, so it imperative that the properties of feldspar be well understood for seismic modeling. The structure of feldspar consists of a three-dimensional framework of strongly-bonded TO4 tetrahedra formed by the sharing of oxygen atoms between tetrahedra. The main solid solution series found in natural feldspars are alkali NaAlSi3O8 -KAlSi3O8 and plagioclase CaAl2Si2O8-NaAlSi3O8. Recently, efforts have been made to systematically quantify feldspars structural change at non-ambient temperatures by considering only the relative tilts of the tetrahedral framework [1]. This serves as a tool to predict various behaviors of the structure such as the relative anisotropy of unit cell parameters and volume evolution with composition and temperature. Monoclinic feldspars are well predicted by the model [1], but discrepancies still remain between the model predictions and real structures with respect to absolute values of the unit cell parameters. To improve the existing model, a modification must be made to account for the M-cation interaction with its surrounding oxygen atoms. We have, therefore, chosen to study the structure of Pb-feldspar (PbAl2Si2O8), which provides the opportunity to characterize a monoclinic Al2Si2 feldspar containing a large M-site divalent cation using neutron diffraction. Neutron diffraction allows for the characterization of the M-site cation interaction between the oxygen atoms in the polyhedral cage by providing information to accurately determine the atomic displacement parameters.. Lead feldspar was synthesized for this study using the method described in [2], and confirmed to have a monoclinic C2/m space group. In this talk we will present structural determinations and atomic displacement parameters of Pb-feldspar from 10 - 300K generated from Neutron diffraction at the POWGEN beamline at the Spallation Neutron Source at Oak Ridge National lab, and compare our results to those predicted by the tetrahedral tilting model. [1] Angel, R.J. Ross, N.L, Zhao, J, Sochalski-Kolbus, L., Kruger, H., Schmidt, B.C. (2013) European Journal of Mineralogy, 25: 597-614. [2] Benna, P., Tribaudino, M., Bruno, E. (1996) American Mineralogist, 81: 1337-1343.

Bayesian network representing system dynamics in risk analysis of nuclear systems

NASA Astrophysics Data System (ADS)

Varuttamaseni, Athi

2011-12-01

A dynamic Bayesian network (DBN) model is used in conjunction with the alternating conditional expectation (ACE) regression method to analyze the risk associated with the loss of feedwater accident coupled with a subsequent initiation of the feed and bleed operation in the Zion-1 nuclear power plant. The use of the DBN allows the joint probability distribution to be factorized, enabling the analysis to be done on many simpler network structures rather than on one complicated structure. The construction of the DBN model assumes conditional independence relations among certain key reactor parameters. The choice of parameter to model is based on considerations of the macroscopic balance statements governing the behavior of the reactor under a quasi-static assumption. The DBN is used to relate the peak clad temperature to a set of independent variables that are known to be important in determining the success of the feed and bleed operation. A simple linear relationship is then used to relate the clad temperature to the core damage probability. To obtain a quantitative relationship among different nodes in the DBN, surrogates of the RELAP5 reactor transient analysis code are used. These surrogates are generated by applying the ACE algorithm to output data obtained from about 50 RELAP5 cases covering a wide range of the selected independent variables. These surrogates allow important safety parameters such as the fuel clad temperature to be expressed as a function of key reactor parameters such as the coolant temperature and pressure together with important independent variables such as the scram delay time. The time-dependent core damage probability is calculated by sampling the independent variables from their probability distributions and propagate the information up through the Bayesian network to give the clad temperature. With the knowledge of the clad temperature and the assumption that the core damage probability has a one-to-one relationship to it, we have calculated the core damage probably as a function of transient time. The use of the DBN model in combination with ACE allows risk analysis to be performed with much less effort than if the analysis were done using the standard techniques.

High temperature ultrasonic sensor for fission gas characterization in MTR harsh environment

NASA Astrophysics Data System (ADS)

Gatsa, O.; Combette, P.; Rozenkrantz, E.; Fourmentel, D.; Destouches, C.; Ferrandis, J. Y. AD(; )

2018-01-01

In the contemporary world, the measurements in hostile environment is one of the predominant necessity for automotive, aerospace, metallurgy and nuclear plant. The measurement of different parameters in experimental reactors is an important point in nuclear power strategy. In the near past, IES (Institut d'Électronique et des Systèmes) on collaboration with CEA (Commissariat à l'Energie Atomique et aux Energies Alternatives) have developed the first ultrasonic sensor for the application of gas quantity determination that has been tested in a Materials Testing Reactor (MTR). Modern requirements state to labor with the materials that possess stability on its parameters around 350°C in operation temperature. Previous work on PZT components elaboration by screen printing method established the new basis in thick film fabrication and characterization in our laboratory. Our trials on Bismuth Titanate ceramics showed the difficulties related to high electrical conductivity of fabricated samples that postponed further research on this material. Among piezoceramics, the requirements on finding an alternative solution on ceramics that might be easily polarized and fabricated by screen printing approach were resolved by the fabrication of thick film from Sodium Bismuth Titanate (NBT) piezoelectric powder. This material exhibits high Curie temperature, relatively good piezoelectric and coupling coefficients, and it stands to be a good solution for the anticipated application. In this paper, we present NBT thick film fabrication by screen printing, characterization of piezoelectric, dielectric properties and material parameters studies in dependence of temperature. Relatively high resistivity in the range of 1.1013 Ohm.cm for fabricated thick film is explained by Aurivillius structure in which a-and b-layers form perovskite structure between oxides of c-layer. Main results of this study are presented and discussed in terms of feasibility for an application to a new sensor device operating at high temperature level (400°). Piezoelectric parameters enhancement and loss reduction at elevated temperatures are envisaged to be optimized. Further sensor development and test in MTR are expected to be realized in the near future.

Influence of cobalt doping on structural and magnetic properties of BiFeO3 nanoparticles

NASA Astrophysics Data System (ADS)

Khan, U.; Adeela, N.; Javed, K.; Riaz, S.; Ali, H.; Iqbal, M.; Han, X. F.; Naseem, S.

2015-11-01

Nanocrystalline cobalt-doped bismuth ferrites with general formula of BiFe1- δ Co δ O3 (0 ≤ δ ≤ 0.1) have been synthesized using solution evaporation method. Structure and phase identification was performed with X-ray diffraction (XRD) technique. The results confirm the formation of rhombohedral-distorted Perovskite structure with R3c symmetry. A decrease in lattice parameters and an increase in X-ray density have been observed with increasing cobalt concentration in BiFeO3. Particle size determined by transmission electron microscope was in good agreement with XRD, i.e., 39 nm. Room-temperature coercivity and saturation magnetization of nanoparticles were increased up to 7.5 % of cobalt doping. Low-temperature magnetic measurements of selected sample showed increasing behavior in saturation magnetization, coercivity, effective magnetic moments, and anisotropy constant. An increase in coercivity with decrease in temperature followed theoretical model of Kneller's law, while modified Bloch's model was employed for saturation magnetization in temperature range of 5-300 K.

Effects of physical properties on thermo-fluids cavitating flows

NASA Astrophysics Data System (ADS)

Chen, T. R.; Wang, G. Y.; Huang, B.; Li, D. Q.; Ma, X. J.; Li, X. L.

2015-12-01

The aims of this paper are to study the thermo-fluid cavitating flows and to evaluate the effects of physical properties on cavitation behaviours. The Favre-averaged Navier-Stokes equations with the energy equation are applied to numerically investigate the liquid nitrogen cavitating flows around a NASA hydrofoil. Meanwhile, the thermodynamic parameter Σ is used to assess the thermodynamic effects on cavitating flows. The results indicate that the thermodynamic effects on the thermo-fluid cavitating flows significantly affect the cavitation behaviours, including pressure and temperature distribution, the variation of physical properties, and cavity structures. The thermodynamic effects can be evaluated by physical properties under the same free-stream conditions. The global sensitivity analysis of liquid nitrogen suggests that ρv, Cl and L significantly influence temperature drop and cavity structure in the existing numerical framework, while pv plays the dominant role when these properties vary with temperature. The liquid viscosity μl slightly affects the flow structure via changing the Reynolds number Re equivalently, however, it hardly affects the temperature distribution.

Optimization of the defects and the nonradiative lifetime of GaAs/AlGaAs double heterostructures

NASA Astrophysics Data System (ADS)

Cevher, Z.; Folkes, P. A.; Hier, H. S.; VanMil, B. L.; Connelly, B. C.; Beck, W. A.; Ren, Y. H.

2018-04-01

We used Raman scattering and time-resolved photoluminescence spectroscopy to investigate the molecular-beam-epitaxy (MBE) growth parameters that optimize the structural defects and therefore the internal radiative quantum efficiency of MBE-grown GaAs/AlGaAs double heterostructures (DH). The DH structures were grown at two different temperatures and three different As/Ga flux ratios to determine the conditions for an optimized structure with the longest nonradiative minority carrier lifetime. Raman scattering measurements show an improvement in the lattice disorder in the AlGaAs and GaAs layers as the As/Ga flux ratio is reduced from 40 to 15 and as the growth temperature is increased from 550 to 595 °C. The optimized structure is obtained with the As/Ga flux ratio equal to 15 and the substrate temperature 595 °C. This is consistent with the fact that the optimized structure has the longest minority carrier lifetime. Moreover, our Raman studies reveal that incorporation of a distributed Bragg reflector layer between the substrate and DH structures significantly reduces the defect density in the subsequent epitaxial layers.

Neutron powder diffraction refinement of the nuclear and magnetic structures of HoNi{sub 2}B{sub 2}C at R.T., 10, 5.1, and 2.2 K

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

Huang, Q.; Grigereit, T.E.; Lynn, J.W.

The nuclear and magnetic structures of HoNi{sub 2}B{sub 2}C have been investigated by neutron powder diffraction at room temperature and at 10, 5.1 and 2.2K. The compound crystallizes with the symmetry of space group 14/mmm and has room temperature lattice parameters a = 3.5170(1) and c = 10.5217(3) {angstrom}. No phase transitions of the nuclear structure have been observed in the range of temperatures examined. Magnetic peaks begin to appear at about 8K. The magnetic structure is the superposition of two configurations, one in which ferromagnetic sheets of holmium spins parallel to the a-b plane are coupled antiferromagnetically along themore » c-axis, and another in which the ferromagnetic planes are rotated away from the antiparallel configuration to give an incommensurate helicoidal structure with a period approximately equal to twelve times the length of the c-axis. The helicoidal structure competes with superconductivity while the antiferromagnetism coexists with it.« less

Simulation of Z(3) walls and string production via bubble nucleation in a quark-hadron transition

NASA Astrophysics Data System (ADS)

Gupta, Uma Shankar; Mohapatra, Ranjita K.; Srivastava, Ajit M.; Tiwari, Vivek K.

2010-10-01

We study the dynamics of confinement-deconfinement phase transition in the context of relativistic heavy-ion collisions within the framework of effective models for the Polyakov loop order parameter. We study the formation of Z(3) walls and associated strings in the initial transition from the confining (hadronic) phase to the deconfining [quark-gluon plasma (QGP)] phase via the so-called Kibble mechanism. Essential physics of the Kibble mechanism is contained in a sort of domain structure arising after any phase transition which represents random variation of the order parameter at distances beyond the typical correlation length. We implement this domain structure by using the Polyakov loop effective model with a first order phase transition and confine ourselves with temperature/time ranges so that the first order confinement-deconfinement transition proceeds via bubble nucleation, leading to a well defined domain structure. The formation of Z(3) walls and associated strings results from the coalescence of QGP bubbles expanding in the confining background. We investigate the evolution of the Z(3) wall and string network. We also calculate the energy density fluctuations associated with Z(3) wall network and strings which decay away after the temperature drops below the quark-hadron transition temperature during the expansion of QGP. We discuss evolution of these quantities with changing temperature via Bjorken’s hydrodynamical model and discuss possible experimental signatures resulting from the presence of Z(3) wall network and associate strings.

Effect of oxygen deposition pressure and temperature on the structure and properties of pulsed laser-deposited La0.67Ca0.33MnOδ films

NASA Astrophysics Data System (ADS)

Horwitz, James S.; Dorsey, Paul C.; Koon, N. C.; Rubinstein, M.; Byers, J. M.; Gillespie, D. J.; Osofsky, Michael S.; Harris, V. G.; Grabowski, K. S.; Knies, D. L.; Donovan, Edward P.; Treece, Randolph E.; Chrisey, Douglas B.

1996-04-01

The effect of substrate temperature and oxygen deposition pressure on the structure and properties of thin films of LaxCa1-xMnO(delta ) has been investigated. Thin films (approximately 1000 angstroms) of La0.67Ca0.33MnO(delta ) were deposited onto LaAlO3 (100) substrates by pulsed laser deposition at a substrate temperature of 600 and 700 degree(s)C. A series of films were grown on different oxygen pressures, between 15 and 400 mTorr, which systematically changed the oxygen concentrations in the films. As-deposited films exhibited an oriented orthorhombic structure. At low oxygen deposition pressures films were preferentially (202) oriented. At high pressures deposited films had a (040) preferred orientation. A 900 degree(s)C anneal in flowing oxygen of a film deposited at low oxygen pressure resulted in a decrease in the a lattice parameter and a change in the preferred orientation from (202) to (040). Vacuum annealing at 550 degree(s)C resulted in an increase in the a lattice parameter. The resistivity as a function of temperature showed a significant variation as a function of growth conditions. The peak in the resistivity curve (Tm) varied between 73 and 150 K depending upon the growth conditions. The activation energy associated with the semiconducting phase was approximately the same for all films (approximately 100 meV).

Simulation of Z(3) walls and string production via bubble nucleation in a quark-hadron transition

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

Gupta, Uma Shankar; Tiwari, Vivek K.; Mohapatra, Ranjita K.

2010-10-01

We study the dynamics of confinement-deconfinement phase transition in the context of relativistic heavy-ion collisions within the framework of effective models for the Polyakov loop order parameter. We study the formation of Z(3) walls and associated strings in the initial transition from the confining (hadronic) phase to the deconfining [quark-gluon plasma (QGP)] phase via the so-called Kibble mechanism. Essential physics of the Kibble mechanism is contained in a sort of domain structure arising after any phase transition which represents random variation of the order parameter at distances beyond the typical correlation length. We implement this domain structure by using themore » Polyakov loop effective model with a first order phase transition and confine ourselves with temperature/time ranges so that the first order confinement-deconfinement transition proceeds via bubble nucleation, leading to a well defined domain structure. The formation of Z(3) walls and associated strings results from the coalescence of QGP bubbles expanding in the confining background. We investigate the evolution of the Z(3) wall and string network. We also calculate the energy density fluctuations associated with Z(3) wall network and strings which decay away after the temperature drops below the quark-hadron transition temperature during the expansion of QGP. We discuss evolution of these quantities with changing temperature via Bjorken's hydrodynamical model and discuss possible experimental signatures resulting from the presence of Z(3) wall network and associate strings.« less

Macro controlling of copper oxide deposition processes and spray mode by using home-made fully computerized spray pyrolysis system

NASA Astrophysics Data System (ADS)

Essa, Mohammed Sh.; Chiad, Bahaa T.; Shafeeq, Omer Sh.

2017-09-01

Thin Films of Copper Oxide (CuO) absorption layer have been deposited using home-made Fully Computerized Spray Pyrolysis Deposition system FCSPD on glass substrates, at the nozzle to substrate distance equal to 20,35 cm, and computerized spray mode (continues spray, macro-control spray). The substrate temperature has been kept at 450 °c with the optional user can enter temperature tolerance values ± 5 °C. Also that fixed molar concentration of 0.1 M, and 2D platform speed or deposition platform speed of 4mm/s. more than 1000 instruction program code, and specific design of graphical user interface GUI to fully control the deposition process and real-time monitoring and controlling the deposition temperature at every 200 ms. The changing in the temperature has been recorded during deposition processes, in addition to all deposition parameters. The films have been characterized to evaluate the thermal distribution over the X, Y movable hot plate, the structure and optical energy gap, thermal and temperature distribution exhibited a good and uniform distribution over 20 cm2 hot plate area, X-ray diffraction (XRD) measurement revealed that the films are polycrystalline in nature and can be assigned to monoclinic CuO structure. Optical band gap varies from 1.5-1.66 eV depending on deposition parameter.

Oceanic lithosphere and asthenosphere - Thermal and mechanical structure

NASA Technical Reports Server (NTRS)

Schubert, G.; Yuen, D. A.; Froidevaux, C.

1976-01-01

A coupled thermomechanical subsolidus model of the oceanic lithosphere and asthenosphere is developed which includes vertical heat conduction, a temperature-dependent thermal conductivity, heat advection by a horizontal and vertical mass flow that depends on depth and age, contributions of viscous dissipation or shear heating, a linear or nonlinear deformation law relating shear stress and strain rate, as well as a temperature- and pressure-dependent viscosity. The model requires a constant horizontal velocity and temperature at the surface, but zero horizontal velocity and constant temperature at great depths. The depth- and age-dependent temperature, horizontal and vertical velocities, and viscosity structure of the lithosphere and asthenosphere are determined along with the age-dependent shear stress in those two zones. The ocean-floor topography, oceanic heat flow, and lithosphere thickness are deduced as functions of ocean-floor age; seismic velocity profiles which exhibit a marked low-velocity zone are constructed from the age-dependent geotherms and assumed values of the elastic parameters. It is found that simple boundary-layer cooling determines the thermal structure at young ages, while effects of viscous dissipation become more important at older ages.

Effect of temperature on terahertz photonic and omnidirectional band gaps in one-dimensional quasi-periodic photonic crystals composed of semiconductor InSb.

PubMed

Singh, Bipin K; Pandey, Praveen C

2016-07-20

Engineering of thermally tunable terahertz photonic and omnidirectional bandgaps has been demonstrated theoretically in one-dimensional quasi-periodic photonic crystals (PCs) containing semiconductor and dielectric materials. The considered quasi-periodic structures are taken in the form of Fibonacci, Thue-Morse, and double periodic sequences. We have shown that the photonic and omnidirectional bandgaps in the quasi-periodic structures with semiconductor constituents are strongly depend on the temperature, thickness of the constituted semiconductor and dielectric material layers, and generations of the quasi-periodic sequences. It has been found that the number of photonic bandgaps increases with layer thickness and generation of the quasi-periodic sequences. Omnidirectional bandgaps in the structures have also been obtained. Results show that the bandwidths of photonic and omnidirectional bandgaps are tunable by changing the temperature and lattice parameters of the structures. The generation of quasi-periodic sequences can also change the properties of photonic and omnidirectional bandgaps remarkably. The frequency range of the photonic and omnidirectional bandgaps can be tuned by the change of temperature and layer thickness of the considered quasi-periodic structures. This work will be useful to design tunable terahertz PC devices.

Effects of graphene oxide doping on the structural and superconducting properties of YBa2Cu3O7-δ

NASA Astrophysics Data System (ADS)

Dadras, S.; Falahati, S.; Dehghani, S.

2018-05-01

In this research we reported the effects of graphene oxide (GO) doping on the structural and superconducting properties of YBa2Cu3O7-δ (YBCO) high temperature superconductors. We synthesized YBCO powder by sol-gel method. After calcination, the powder mixed with different weight percent (0, 0.1, 0.3, 0.7, 1 wt.%) of GO. Refinement of X-ray diffraction (XRD) was carried out by material analysis using diffraction (MAUD) program to obtain the structural parameters such as lattice parameters, site occupancy of different atoms and orthorhombicity value for the all samples. Results show that GO doping does not change the structure of YBCO compound, Cu (1), Cu (2) and oxygen sites occupancy. It seems that GO remains between the grains and can play the role of weak links. We found that GO addition to YBCO compound increases transition temperature (TC). The oxygen contents of the all GO-doped samples are increased with respect to the pure one. The strain (ɛ) of the samples obtained from Williamson-Hall method, varies with increasing of GO doping. The scanning electron microscopy (SEM) images of the samples show better YBCO grain connections by GO doping.

Structural, magnetic and electronic structural properties of Mn doped CeO2 nanoparticles

NASA Astrophysics Data System (ADS)

Kumari, Kavita; Vij, Ankush; Hashim, Mohd.; Chae, K. H.; Kumar, Shalendra

2018-05-01

Nanoparticles of Ce1-xMnxO2, (x=0.0, 0.01, and 0.05) have been synthesized by using co-precipitation method, and then characterized by x-ray diffraction (XRD), transmission electron microscopy (TEM), near edge x-ray absorption fine structure (NEXAFS) spectroscopy and dc magnetization measurements. XRD results clearly showed that the all the samples have single phase nature and exclude the presence of any secondary phase. The average particle size calculated using XRD TEM measurements found to decrease with increase in Mn doping in the range of 4.0 - 9.0 nm. The structural parameters such as strain, interplaner distance and lattice parameter is observed to decrease with increase in doping. The morphology of Ce1-xMnxO2 nanoparticles measured using TEM micrographs indicate that nanoparticle have spherical shape morphology. Magnetic hysteresis curve for Ce1-xMnxO2, (x = 0.0, 0.01, and 0.05) confirms the ferromagnetic ordering room temperature. The value of saturation magnetization is observed to decrease with increase in temperature from 10 K to 300 K. The NEXAFS spectra measured at Ce M4,5 edge reveals that Ce-ions are in +4 valance state.

Triclinic lysozyme at 0.65 angstrom resolution.

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

Wang, J.; Dauter, M.; Alkire, R.

The crystal structure of triclinic hen egg-white lysozyme (HEWL) has been refined against diffraction data extending to 0.65 {angstrom} resolution measured at 100 K using synchrotron radiation. Refinement with anisotropic displacement parameters and with the removal of stereochemical restraints for the well ordered parts of the structure converged with a conventional R factor of 8.39% and an R{sub free} of 9.52%. The use of full-matrix refinement provided an estimate of the variances in the derived parameters. In addition to the 129-residue protein, a total of 170 water molecules, nine nitrate ions, one acetate ion and three ethylene glycol molecules weremore » located in the electron-density map. Eight sections of the main chain and many side chains were modeled with alternate conformations. The occupancies of the water sites were refined and this step is meaningful when assessed by use of the free R factor. A detailed description and comparison of the structure are made with reference to the previously reported triclinic HEWL structures refined at 0.925 {angstrom} (at the low temperature of 120 K) and at 0.95 {angstrom} resolution (at room temperature).« less

Effect of annealing on optical properties and structure of the vanadium dioxide thin films

NASA Astrophysics Data System (ADS)

Zhu, Huiqun; Li, Yi; Li, Yuming; Huang, Yize; Tong, Guoxiang; Fang, Baoying; Zheng, Qiuxin; Li, Liu; Shen, Yujian

2012-10-01

VO2 thin films were prepared on soda-lime glass substrates by DC magnetron sputtering at room temperature using vanadium target and post annealing in air. X-ray diffraction and FTIR spectroscopy analyses showed that the films obtained at the optimized parameters have high VO2 (011) orientation. Both low temperature deposition and post annealing method were beneficial to grow the nano-films with pure VO2 phase-structure and composition. Metalinsulator transition properties of the VO2 films in terms of infrared transmittance, transmittance variation and film thickness were investigated under varying annealing temperature. Results showed that infrared transmittance variation and transition temperature of the nano-films were significantly improved and reduced respectively. Therefore, this study was able to develop practical low-cost preparation methods for high-performance intelligent energy-saving thin films.

Photophysical study of meso-phenothiazinyl-porphyrins metallocomplexes

NASA Astrophysics Data System (ADS)

Starukhin, Aleksander; Gorski, Aleksander; Knyukshto, Valery; Panarin, Andrei; Pavich, Tatiana; Gaina, Luiza; Gal, Emese

2017-10-01

Photophysical parameters of a set of metallocomplexes of meso-phenylthiazinylporphyrins with Zn (II), Pd (II) and Cu (II) ions were studied in different organic solvents, solid solutions and polymeric matrices at room and liquid nitrogen temperatures. The dependence of the spectral and photophysical parameters on changing the molecular structure with increasing number of branched substituents attached to aryl groups in different positions of the porphyrin macrocycle has been established.

Structural and luminescence properties of self-yellow emitting undoped and (Ca, Ba, Sr)-doped Zn2V2O7 phosphors synthesized by combustion method

NASA Astrophysics Data System (ADS)

Foka, Kewele E.; Dejene, Birhanu F.; Koao, Lehlohonolo F.; Swart, Hendrik C.

2018-04-01

A self-activated yellow emitting Zn2V2O7 was synthesized by combustion method. The influence of the processing parameters such as synthesis temperature and dopants concentration on the structure, morphology and luminescence properties was investigated. The X-ray diffraction (XRD) analysis confirmed that the samples have a tetragonal structure and no significant structural change was observed in varying both the synthesis temperature and the dopants concentration. The estimated average crystallite size was 78 nm for the undoped samples synthesized at different temperatures and 77 nm for the doped samples. Scanning electron microscope (SEM) images showed agglomerated hexagonal-shaped particles with straight edges at low temperatures and the shape of the particles changed to cylindrical structures at moderate temperatures. At higher temperatures, the morphology changed completely. However, the morphologies of the doped samples looked alike. The photoluminescence (PL) of the product exhibited broad emission bands ranging from 400 to 800 nm. The best luminescence intensity was observed for the undoped Zn2V2O7 samples and those synthesized at 600 ℃ . Any further increase in synthesis temperature, type and concentration of dopants led to a decrease in the luminescence intensity. The broad band emission peak of Zn2V2O7 consisted of two broad bands corresponding to emissions from the Em1 (3T2→1A1) and Em2 (3T1→1A1) transitions.

Permanently densified SiO2 glasses: a structural approach.

PubMed

Martinet, C; Kassir-Bodon, A; Deschamps, T; Cornet, A; Le Floch, S; Martinez, V; Champagnon, B

2015-08-19

Densified silica can be obtained by different pressure and temperature paths and for different stress conditions, hydrostatic or including shear. The density is usually the macroscopic parameter used to characterize the different compressed silica samples. The aim of our present study is to compare structural modifications for silica glass, densified from several routes. For this, densified silica glasses are prepared from cold and high temperature (up to 1020 °C) compressions. The different densified glasses obtained in our study are characterized by micro-Raman spectroscopy. Intertetrahedral angles from the main band relative to the bending mode decrease and their values are larger for densified samples from high temperature compression than those samples from cold compression. The relative amount of 3-membered rings deduced from the D2 line area increases as a function of density for cold compression. The temperature increase during the compression process induces a decrease of the 3 fold ring population. Moreover, 3 fold rings are more deformed and stressed for densified samples at room temperature at the expense of those densified at high temperature. Temperature plays a main role in the reorganization structure during the densification and leads to obtaining a more relaxed structure with lower stresses than glasses densified from cold compression. The role of hydrostatic or non-hydrostatic applied stresses on the glass structure is discussed. From the Sen and Thorpe central force model, intertetrahedral angle average value and their distribution are estimated.

Study of sintering temperature on the structure of silicon carbide membrane

NASA Astrophysics Data System (ADS)

Sadighzadeh, A.; Mashayekhan, Sh.; Nedaie, B.; Ghorashi, A. H.

2014-09-01

Study of the microstructure of silicon carbide (SiC) membrane as a function of sintering temperature and the percentage amount of additive kaolin is the outcome of the experimental fabrications presented in this paper. The SEM micrographs are used to investigate the impact of above parameters on the porosity of membrane. The experimental results show that the rise in the temperature causes more sintering of powder particles, growing granules, augmentation of the number of pores and consequently increasing the total porosity of membrane. Using XRD analyses, it is found that SiC amorphous phase is highly sensitive to the temperature and its crystallization physically grows with temperature increase.

Crystal structure and phase transitions of sodium potassium niobate perovskites

NASA Astrophysics Data System (ADS)

Tellier, J.; Malic, B.; Dkhil, B.; Jenko, D.; Cilensek, J.; Kosec, M.

2009-02-01

This paper presents the crystal structure and the phase transitions of K xNa 1- xNbO 3 (0.4 ≤ x ≤ 0.6). X-ray diffraction measurements were used to follow the change of the unit-cell parameters and the symmetry in the temperature range 100-800 K. At room temperature all the compositions exhibited a monoclinic metric of the unit cell with a small monoclinic distortion (90.32° ≤ β ≤ 90.34°). No major change of symmetry was evidenced in the investigated compositional range, which should be characteristic of the morphotropic phase-boundary region. With increasing temperature, the samples underwent first-order monoclinic-tetragonal and tetragonal-cubic transitions. Only the potassium-rich phases were rhombohedral at 100 K.

Design and measure of a tunable double-band metamaterial absorber in the THz spectrum

NASA Astrophysics Data System (ADS)

Guiming, Han

2018-04-01

We demonstrate and measure a hybrid double-band tunable metamaterial absorber in the terahertz region. The measured metamaterial absorber contains of a hybrid dielectric layer structure: a SU-8 layer and a VO2 layer. Near perfect double-band absorption performances are achieved by optimizing the SU-8 layer thickness at room temperature 25 °C. Measured results show that the phase transition can be observed when the measured temperature reaches 68 °C. Further measured results indicate that the resonance frequency and absorption amplitude of the proposed metamaterial absorber are tunable through increasing the measured temperature, while structural parameters unchanged. The proposed hybrid metamaterial absorber shows many advantages, such as frequency agility, absorption amplitude tunable, and simple fabrication.

High temperature electrical properties study of Sr{sub 2}(Fe,Ti)O{sub 6} double perovskite materials using impedance spectroscopy method

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

Triyono, D., E-mail: djoko.triyono@sci.ui.ac.id; Laysandra, Heidi

2016-04-19

The structure, thermal, and electrical properties of double perovskite material Sr{sub 2}(Fe,Ti)O{sub 6} at high temperature have been studied. This material was synthesized by a solid state reaction method. X-ray diffraction characterization at room temperature for all samples shows a single phase and having a structure of cubic double perovskite with Pm3m space group. The variation of Fe and Ti atoms are seen in an increasing of lattice parameter and grain size which is found between 30 nm and 80 nm. The electrical properties as a function of temperature and frequency are characterized by using RLC-meter with impedance spectroscopy method. The impedancemore » data are presented in Nyquist and Bode plot resulting in the equivalent circuit and its parameters. The equivalent circuit shows the effect of grain and grain boundary in the electrical properties of materials. DC conductivity of Sr{sub 2}(Fe,Ti)O{sub 6} as a function of temperature was explained by using Arrhenius equation. The value of the activation energy which is evaluated from dc conductivity as a function of temperature shows the effect of grain and grain boundary. The activation energy exhibits of oxygen vacancy in Sr{sub 2}(Fe,Ti)O{sub 6} which is also supported by morphology of Sr{sub 2}(Fe,Ti)O{sub 6} is characterized by field emission scanning electron microscopy (FESEM).« less

Two-dimensional tungsten photonic crystal selective emitter: effects of geometrical parameters and temperature

NASA Astrophysics Data System (ADS)

Rostamnejadi, Ali; Daneshvar, Meysam

2018-03-01

In this paper, we have studied the effects of structural parameters and temperature on the emissivity of a square array of cylindrical nano/microcavities on tungsten slab by finite difference time domain method. It has been shown that the physical nature of the emissivity enhancement depends on the structural parameters of the nano/microcavities. In the case of narrow and shallow nanocavities with radius r ≤ 150 nm and depth d ≤ 150 nm; the emissivity has the same behavior as that of flat tungsten. Thermally excited surface plasmon polaritons cause a sharp peak in the emissivity of nanocavities with 150 ≤ d ≤ 250 nm and 150 ≤ r ≤ 350 nm at wavelength in the order of periodicity, λ a. In the case of wide and deep microcavities with r ≥ 350 nm and d ≥ 250 nm; there are anomalous peaks in the emissivity which are well matched with the modified resonant wavelengths of a microcavity. At wavelengths shorter than periodicity, the Bragg diffraction from the surface of periodic microcavities reduces the emissivity. The obtained results show that to have a favorable selective thermal emitter from 2D W nano/microcavities with emission efficiency more than 90%, the periodicity should be as small as possible, the cavity depth should be large enough and its radius should be selected according to the working temperature.

Different 57Fe microenvironments in the nanosized iron cores in human liver ferritin and its pharmaceutical analogues on the basis of temperature dependent Mössbauer spectroscopy

NASA Astrophysics Data System (ADS)

Oshtrakh, M. I.; Alenkina, I. V.; Klencsár, Z.; Kuzmann, E.; Semionkin, V. A.

2017-02-01

Mössbauer spectra of human liver ferritin and its pharmaceutical analogues Ferrum Lek and Maltofer® measured at various temperatures within the range of 295-83 K were fitted using five quadrupole doublets related to different 57Fe microenvironments in various layers/regions of the ferrihydrite and akaganéite iron cores. The observed anomalous temperature dependences of some Mössbauer parameters were considered as a result of low temperature structural rearrangements in different layers/regions in the iron core.

Effect of temperature on the electronic instability and the crystalline phase change at low temperature of V3Si type compounds

NASA Technical Reports Server (NTRS)

Labbe, J.; Friedel, J.

1977-01-01

Equations assuming a Jahn-Teller type effect for the d band electrons in V3Si compounds are given, and the results of free-energy change calculations by using some approximations based on these equations are depicted. The tetragonal structure is converted to cubic as the temperature rises past T sub m which is calculated as 13 K. by the Batterman-Barrett method and is measured to be 20-5 K. Other parameters such as change of C sub p with temperature are predicted better.

High-frequency dielectric study of proustite crystals Ag3AsS3

NASA Astrophysics Data System (ADS)

Bordovsky, V. A.; Gunia, N. Yu; Castro, R. A.

2014-12-01

The dielectric properties of the crystals proustite in the frequency of 106-109 Hz and a temperature range of 173 to 473 K were studied. The dispersion of the dielectric parameters indicates the existence of non-Debye relaxation mechanism correlates with structural changes in the phase transition region. The charge transfer is temperature activated with an activation energy of 2.40 ± 0.01 eV.

The Evolution of Fabricated Gold Thin Films to Nano-Micro Particles Under Thermal Annealing Process

NASA Astrophysics Data System (ADS)

Hajivaliei, Mahdi; Nazari, Saeed

2016-06-01

Gold (Au) thin films with thickness of 35nm were prepared by electron beam deposition onto flat glass substrates under high vacuum (5.3×10-3Pa) condition and they were annealed in the range of 573-873 K for 1 and 2h in atmospheric pressure. The influence of the annealing temperature on the evolution of Au thin film to nano-micro particles was studied. Moreover, the basic properties of the films, namely morphological, structural and optical were investigated. The X-ray diffraction (XRD) analysis revealed that the Au thin films were cubic structure phase with lattice parameter around a=4.0786Å. The most preferential orientation is along (111) planes for all Au films. The lattice parameter and grain size in the films were calculated by X-ray patterns and correlated with annealing temperatures. The obtained results of ultraviolet-visible spectrometry (UV-Vis) indicate that with increasing annealing temperature, the surface plasmon resonance peak of gold nanocrystallite will disappear which implies the size of particles are grown. Field-emission scanning electron microscopy (FE-SEM) results show that the prepared gold thin films have been converted to nano-micro gold particles in different annealing temperatures. These results lead to controlling the size of produced nanocrystallite.

Structural characterization and low-temperature properties of Ru/C multilayer monochromators with different periodic thicknesses.

PubMed

Jiang, Hui; He, Yan; He, Yumei; Li, Aiguo; Wang, Hua; Zheng, Yi; Dong, Zhaohui

2015-11-01

Ru/C multilayer monochromators with different periodic thicknesses were investigated using X-ray grazing-incidence reflectivity, diffuse scattering, Bragg imaging, morphology testing, etc. before and after cryogenic cooling. Quantitative analyses enabled the determination of the key multilayer structural parameters for samples with different periodic thicknesses, especially the influence from the ruthenium crystallization. The results also reveal that the basic structures and reflection performance keep stable after cryogenic cooling. The low-temperature treatment smoothed the surfaces and interfaces and changed the growth characteristic to a low-frequency surface figure. This study helps with the understanding of the structure evolution of multilayer monochromators during cryogenic cooling and presents sufficient experimental proof for using cryogenically cooled multilayer monochromators in a high-thermal-load undulator beamline.

Non-polarizable force field of water based on the dielectric constant: TIP4P/ε.

PubMed

Fuentes-Azcatl, Raúl; Alejandre, José

2014-02-06

The static dielectric constant at room temperature and the temperature of maximum density are used as target properties to develop, by molecular dynamics simulations, the TIP4P/ε force field of water. The TIP4P parameters are used as a starting point. The key step, to determine simultaneously both properties, is to perform simulations at 240 K where a molecular dipole moment of minimum density is found. The minimum is shifted to larger values of μ as the distance between the oxygen atom and site M, lOM, decreases. First, the parameters that define the dipole moment are adjusted to reproduce the experimental dielectric constant and then the Lennard-Jones parameters are varied to match the temperature of maximum density. The minimum on density at 240 K allows understanding why reported TIP4P models fail to reproduce the temperature of maximum density, the dielectric constant, or both properties. The new model reproduces some of the thermodynamic and transport anomalies of water. Additionally, the dielectric constant, thermodynamics, and dynamical and structural properties at different temperatures and pressures are in excellent agreement with experimental data. The computational cost of the new model is the same as that of the TIP4P.

Simulation of the as-cast structure of Al-4.0wt.%Cu ingots with a 5-phase mixed columnar-equiaxed solidification model

NASA Astrophysics Data System (ADS)

Wu, M.; Ahmadein, M.; Kharicha, A.; Ludwig, A.; Li, J. H.; Schumacher, P.

2012-07-01

Empirical knowledge about the formation of the as-cast structure, mostly obtained before 1980s, has revealed two critical issues: one is the origin of the equiaxed crystals; one is the competing growth of the columnar and equiaxed structures, and the columnar-to-equiaxed transition (CET). Unfortunately, the application of empirical knowledge to predict and control the as-cast structure was very limited, as the flow and crystal transport were not considered. Therefore, a 5-phase mixed columnar-equiaxed solidification model was recently proposed by the current authors based on modeling the multiphase transport phenomena. The motivation of the recent work is to determine and evaluate the necessary modeling parameters, and to validate the mixed columnar-equiaxed solidification model by comparison with laboratory castings. In this regard an experimental method was recommended for in-situ determination of the nucleation parameters. Additionally, some classical experiments of the Al-Cu ingots were conducted and the as-cast structural information including distinct columnar and equiaxed zones, macrosegregation, and grain size distribution were analysed. The final simulation results exhibited good agreement with experiments in the case of high pouring temperature, whereas disagreement in the case of low pouring temperature. The reasons for the disagreement are discussed.

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

Hannachi, Amira, E-mail: amira.hannachi88@gmail.com; Maghraoui-Meherzi, Hager

Manganese sulfide thin films have been deposited on glass slides by chemical bath deposition (CBD) method. The effects of preparative parameters such as deposition time, bath temperature, concentration of precursors, multi-layer deposition, different source of manganese, different complexing agent and thermal annealing on structural and morphological film properties have been investigated. The prepared thin films have been characterized using the X-ray diffraction (XRD), scanning electron microscopy (SEM) and energy dispersive X-ray analysis (EDX). It exhibit the metastable forms of MnS, the hexagonal γ-MnS wurtzite phase with preferential orientation in the (002) plane or the cubic β-MnS zinc blende with preferentialmore » orientation in the (200) plane. Microstructural studies revealed the formation of MnS crystals with different morphologies, such as hexagons, spheres, cubes or flowers like. - Graphical Abstract: We report the preparation of different phases of manganese sulfide thin films (γ, β and α-MnS) by chemical bath deposition method. The effects of deposition parameters such as deposition time and temperature, concentrations of precursors and multi-layer deposition on MnS thin films structure and morphology were investigated. The influence of thermal annealing under nitrogen atmosphere at different temperature on MnS properties was also studied. Different manganese precursors as well as different complexing agent were also used. - Highlights: • γ and β-MnS films were deposited on substrate using the chemical bath deposition. • The effect of deposition parameters on MnS film properties has been investigated. • Multi-layer deposition was also studied to increase film thickness. • The effect of annealing under N{sub 2} at different temperature was investigated.« less

Processing and electrical properties of gallium-substituted lead zirconate titanate ceramics

NASA Astrophysics Data System (ADS)

Hajra, Sugato; Sharma, Pulkit; Sahoo, Sushrisangita; Rout, P. K.; Choudhary, R. N. P.

2017-12-01

In the present paper, the effect of gallium (Ga) substitution on structural, microstructural, electrical conductivity of Pb(ZrTi)O3 (PZT) in the morphotropic phase boundary (MPB) region (i.e., Pb0.96Ga0.04(Zr0.48Ti0.52)0.99O3 (PGaZT-4)) was investigated. Increased grain density increases the resistivity of the Ga-modified PZT system. Preliminary structural analysis using X-ray diffraction pattern and data showed the existence of two phases [major tetragonal (T) and minor monoclinic (M)]. Field emission scanning electron micrograph (FESEM) showed the distribution of spherical as well as platelet type grains with small pores. The behavior of dielectric constant with temperature of PGaZT-4 exhibited the suppression of the ferroelectric phase transition [i.e., disappearance of Curie temperature ( T c)]. The complex impedance spectroscopy (CIS) technique helped to investigate the impedance parameters of PGaZT-4 in MPB region in a wide range of temperature (250-500 °C) and frequency (1-1000 kHz) region. The impedance parameters of the material are found to be strongly dependent on frequency of AC electric field and temperature. The substitution of gallium at the Pb site of PZT generally enhances the dielectric constant and decreases loss tangent. The AC conductivity vs frequency ( f = ω2 π) in the region of dispersion follows the universal response of Jonscher's equation. Enhanced resistive characteristics were observed for Ga-substituted PZT in comparison to the pure PZT, which was well ensured from the studies of electrical parameters, such as impedance and AC conductivity.

Ginzburg-Landau theory for the solid-liquid interface of bcc elements

NASA Technical Reports Server (NTRS)

Shih, W. H.; Wang, Z. Q.; Zeng, X. C.; Stroud, D.

1987-01-01

Consideration is given to a simple order-parameter theory for the interfacial tension of body-centered-cubic solids in which the principal order parameter is the amplitude of the density wave at the smallest nonzero reciprocal-lattice vector of the solid. The parameters included in the theory are fitted to the measured heat of fusion, melting temperature, and solid-liquid density difference, and to the liquid structure factor and its temperature derivative at freezing. Good agreement is found with experiment for Na and Fe and the calculated anisotropy of the surface tension among different crystal faces is of the order of 2 percent. On the basis of various assumptions about the universal behavior of bcc crystals at melting, the formalism predicts that the surface tension is proportional to the heat of fusion per surface atom.

Predicting the glass transition temperature of bioactive glasses from their molecular chemical composition.

PubMed

Hill, Robert G; Brauer, Delia S

2011-10-01

A recently published paper (M.D. O'Donnell, Acta Biomaterialia 7 (2011) 2264-2269) suggests that it is possible to correlate the glass transition temperature (T(g)) of bioactive glasses with their molar composition, based on iterative least-squares fitting of published T(g) data. However, we show that the glass structure is an important parameter in determining T(g). Phase separation, local structural effects and components (intermediate oxides) which can switch their structural role in the glass network need to be taken into consideration, as they are likely to influence the glass transition temperature of bioactive glasses. Although the model suggested by O'Donnell works reasonably well for glasses within the composition range presented, it is oversimplified and fails for glasses outside certain compositional boundaries. Copyright © 2011 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

The magnetic properties and structure of the quasi-two-dimensional antiferromagnet CoPS3

NASA Astrophysics Data System (ADS)

Wildes, A. R.; Simonet, V.; Ressouche, E.; Ballou, R.; McIntyre, G. J.

2017-11-01

The magnetic properties and magnetic structure are presented for CoPS3, a quasi-two-dimensional antiferromagnet on a honeycomb lattice with a Néel temperature of TN ∼120 K. The compound is shown to have XY-like anisotropy in its susceptibility, and the anisotropy is analysed to extract crystal field parameters. For temperatures between 2 K and 300 K, no phase transitions were observed in the field-dependent magnetization up to 10 Tesla. Single-crystal neutron diffraction shows that the magnetic propagation vector is k  =  (0 1 0) with the moments mostly along the {a} axis and with a small component along the {c} axis, which largely verifies the previously-published magnetic structure for this compound. The magnetic Bragg peak intensity decreases with increasing temperature as a power law with exponent 2β = 0.60 +/- 0.01 for T > 0.9~TN .

The influence of oxidation time on the properties of oxidized zinc films

NASA Astrophysics Data System (ADS)

Rambu, A. P.

2012-09-01

The effect of oxidation time on the structural characteristics and electronic transport mechanism of zinc oxide thin films prepared by thermal oxidation, have been investigated. Zinc metallic films were deposited by thermal evaporation under vacuum, the subsequent oxidation of Zn films being carried out in open atmosphere. XRD and AFM analysis indicate that obtained films posses a polycrystalline structure, the crystallites having a preferential orientation. Structural analysis reveals that microstructure of the films (crystallite size, surface roughness, internal stress) is depending on the oxidation time of metallic films. The electrical behavior of ZnO films was investigated, during a heat treatment (two heating/cooling cycles). It was observed that after the first heating, the temperature dependences of electrical conductivity become reversible. Mott variable range hopping model was proposed to analyze the temperature dependence of the electrical conductivity, in low temperature ranges. Values of some characteristic parameters were calculated.

Solar Prominence Modelling and Plasma Diagnostics at ALMA Wavelengths

NASA Astrophysics Data System (ADS)

Rodger, Andrew; Labrosse, Nicolas

2017-09-01

Our aim is to test potential solar prominence plasma diagnostics as obtained with the new solar capability of the Atacama Large Millimeter/submillimeter Array (ALMA). We investigate the thermal and plasma diagnostic potential of ALMA for solar prominences through the computation of brightness temperatures at ALMA wavelengths. The brightness temperature, for a chosen line of sight, is calculated using the densities of electrons, hydrogen, and helium obtained from a radiative transfer code under non-local thermodynamic equilibrium (non-LTE) conditions, as well as the input internal parameters of the prominence model in consideration. Two distinct sets of prominence models were used: isothermal-isobaric fine-structure threads, and large-scale structures with radially increasing temperature distributions representing the prominence-to-corona transition region. We compute brightness temperatures over the range of wavelengths in which ALMA is capable of observing (0.32 - 9.6 mm), however, we particularly focus on the bands available to solar observers in ALMA cycles 4 and 5, namely 2.6 - 3.6 mm (Band 3) and 1.1 - 1.4 mm (Band 6). We show how the computed brightness temperatures and optical thicknesses in our models vary with the plasma parameters (temperature and pressure) and the wavelength of observation. We then study how ALMA observables such as the ratio of brightness temperatures at two frequencies can be used to estimate the optical thickness and the emission measure for isothermal and non-isothermal prominences. From this study we conclude that for both sets of models, ALMA presents a strong thermal diagnostic capability, provided that the interpretation of observations is supported by the use of non-LTE simulation results.

Energy harvesting through gas dynamics in the free molecular flow regime between structured surfaces at different temperatures

NASA Astrophysics Data System (ADS)

Baier, Tobias; Dölger, Julia; Hardt, Steffen

2014-05-01

For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel dimensions. If one of the surfaces is suitably structured, this nonequilibrium distribution can be exploited for momentum transfer in a tangential direction between the two surfaces. This opens up the possibility to extract work from the system which operates as a heat engine. Since both surfaces are held at constant temperatures, the mode of momentum transfer is different from the thermal creep flow that has gained more attention so far. This situation is studied in the limit of free-molecular flow for the case that an unstructured surface is allowed to move tangentially with respect to a structured surface. Parameter studies are conducted, and configurations with maximum thermodynamic efficiency are identified. Overall, it is shown that significant efficiencies can be obtained by tangential momentum transfer between structured surfaces.

Energy harvesting through gas dynamics in the free molecular flow regime between structured surfaces at different temperatures.

PubMed

Baier, Tobias; Dölger, Julia; Hardt, Steffen

2014-05-01

For a gas confined between surfaces held at different temperatures the velocity distribution shows a significant deviation from the Maxwell distribution when the mean free path of the molecules is comparable to or larger than the channel dimensions. If one of the surfaces is suitably structured, this nonequilibrium distribution can be exploited for momentum transfer in a tangential direction between the two surfaces. This opens up the possibility to extract work from the system which operates as a heat engine. Since both surfaces are held at constant temperatures, the mode of momentum transfer is different from the thermal creep flow that has gained more attention so far. This situation is studied in the limit of free-molecular flow for the case that an unstructured surface is allowed to move tangentially with respect to a structured surface. Parameter studies are conducted, and configurations with maximum thermodynamic efficiency are identified. Overall, it is shown that significant efficiencies can be obtained by tangential momentum transfer between structured surfaces.

Structural study of polymorphism in methylprednisolone aceponate

NASA Astrophysics Data System (ADS)

Knyazev, A. V.; Somov, N. V.; Shipilova, A. S.; Gusarova, E. V.; Knyazeva, S. S.; Stepanova, O. V.; Chuprunov, E. V.

2017-08-01

The crystal structures of methylprednisolone aceponate were determined by X-ray diffraction analysis at temperatures 90 K and 150 K: space group P212121, a = 14.8592(2), b = 19.6844(5), c = 26.1626(4) Å, Z = 12; R = 0.0598 (T = 90 K); space group P212121, a = 6.57348(14), b = 14.8295(3), c = 26.2214(5) Å, Z = 4; R = 0.0518 (T = 150 K). Features of structural changes in the phase transition were revealed. The abrupt change in the unit cell parameters in the phase transition was shown by low-temperature X-ray powder. The methods of degree of invariance of crystal electron density and molecular Voronoi-Dirichlet polyhedra were used for the analysis of polymorphism in methylprednisolone aceponate. The atomic structure at 90 K have a translational pseudosymmetry of electron density η = 0.329(1). The decrease of number of intermolecular contacts in the high-temperature modification due to rupture of intermolecular non-valence contacts C/O was observed.

Earthquake focal parameters and lithospheric structure of the anatolian plateau from complete regional waveform modeling

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

Rodgers, A

2000-12-28

This is an informal report on preliminary efforts to investigate earthquake focal mechanisms and earth structure in the Anatolian (Turkish) Plateau. Seismic velocity structure of the crust and upper mantle and earthquake focal parameters for event in the Anatolian Plateau are estimated from complete regional waveforms. Focal mechanisms, depths and seismic moments of moderately large crustal events are inferred from long-period (40-100 seconds) waveforms and compared with focal parameters derived from global teleseismic data. Using shorter periods (10-100 seconds) we estimate the shear and compressional velocity structure of the crust and uppermost mantle. Results are broadly consistent with previous studiesmore » and imply relatively little crustal thickening beneath the central Anatolian Plateau. Crustal thickness is about 35 km in western Anatolia and greater than 40 km in eastern Anatolia, however the long regional paths require considerable averaging and limit resolution. Crustal velocities are lower than typical continental averages, and even lower than typical active orogens. The mantle P-wave velocity was fixed to 7.9 km/s, in accord with tomographic models. A high sub-Moho Poisson's Ratio of 0.29 was required to fit the Sn-Pn differential times. This is suggestive of high sub-Moho temperatures, high shear wave attenuation and possibly partial melt. The combination of relatively thin crust in a region of high topography and high mantle temperatures suggests that the mantle plays a substantial role in maintaining the elevation.« less

A statistical evaluation and comparison of VISSR Atmospheric Sounder (VAS) data and corresponding rawinsonde measurements

NASA Technical Reports Server (NTRS)

1984-01-01

Three mesoscale sounding data sets from the VISSR Atmospheric Sounder (VAS) produced using different retrieval techniques were evaluated of corresponding ground truth rawinsonde data for 6-7 March 1982. Mean, standard deviations, and RMS differences between the satellite and rawinsonde parameters were calculated over gridded fields in central Texas and Oklahoma. Large differences exist between each satellite data set and the ground truth data. Biases in the satellite temperature and moisture profiles seem extremely dependent upon the three dimensional structure of the atmosphere and range from 1 deg to 3 deg C for temperature and 3 deg to 6 deg C for dewpoint temperature. Atmospheric gradients of basic and derived parameters determined from the VAS data sets produced an adequate representation of the mesoscale environment but their magnitudes were often reduced by 30 to 50%.

Defects level evaluation of LiTiZn ferrite ceramics using temperature dependence of initial permeability

NASA Astrophysics Data System (ADS)

Malyshev, A. V.; Petrova, A. B.; Sokolovskiy, A. N.; Surzhikov, A. P.

2018-06-01

The method for evaluating the integral defects level and chemical homogeneity of ferrite ceramics based on temperature dependence analysis of initial permeability is suggested. A phenomenological expression for the description of such dependence was suggested and an interpretation of its main parameters was given. It was shown, that the main criterion of the integral defects level of ferrite ceramics is relation of two parameters correlating with elastic stress value in a material. An indicator of structural perfection can be a maximum value of initial permeability close to Curie point as well. The temperature dependences of initial permeability have analyzed for samples sintered in laboratory conditions and for the ferrite industrial product. The proposed method allows controlling integral defects level of the soft ferrite products and has high sensitivity compare to typical X-ray methods.

Study of thermal stability of Cu{sub 2}Se thermoelectric material

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

Bohra, Anil, E-mail: anilbohra786@gmail.com; Bhatt, Ranu; Bhattacharya, Shovit

2016-05-23

Sustainability of thermoelectric parameter in operating temperature range is a key consideration factor for fabricating thermoelectric generator or cooler. In present work, we have studied the stability of thermoelectric parameter of Cu{sub 2}Se within the temperature range of 50-800°C. Temperature dependent Seebeck coefficients and electrical resistivity measurement are performed under three continuous thermal cycles. X-ray diffraction pattern shows the presence of mixed cubic-monoclinic Cu{sub 2}Se phase in bare pellet which transforms to pure α-Cu{sub 2}Se phase with repeating thermal cycle. Significant enhancement in Seebeck coefficient and electrical resistivity is observed which may be attributed to (i) Se loss observed inmore » EDS and (ii) the phase transformation from mixed cubic-monoclinic structure to pure monoclinic α-Cu{sub 2}Se phase.« less

High temperature stability of anatase in titania-alumina semiconductors with enhanced photodegradation of 2, 4-dichlorophenoxyacetic acid.

PubMed

López-Granada, G; Barceinas-Sánchez, J D O; López, R; Gómez, R

2013-12-15

The incorporation of aluminum acetylacetonate as alumina source during the gelation of titanium alkoxide reduces the nucleation sites for the formation of large rutile crystals on temperatures ranging from 400 to 800°C. As a result, the aggregation of anatase crystals is prevented at high temperature. A relationship among the specific surface area, pore size, energy band gap, crystalline structure and crystallite size as the most relevant parameters are evaluated and discussed. According to the results for the photocatalytic degradation of 2,4-dichlorophenoxyacetic acid, the specific surface area, pore size, Eg band gap are not determinant in the photocatalytic properties. It was found that the anatase crystallite size is the mores important parameter affecting the degradation efficiency. Copyright © 2013 Elsevier B.V. All rights reserved.

Phase coexistence and electric-field control of toroidal order in oxide superlattices.

PubMed

Damodaran, A R; Clarkson, J D; Hong, Z; Liu, H; Yadav, A K; Nelson, C T; Hsu, S-L; McCarter, M R; Park, K-D; Kravtsov, V; Farhan, A; Dong, Y; Cai, Z; Zhou, H; Aguado-Puente, P; García-Fernández, P; Íñiguez, J; Junquera, J; Scholl, A; Raschke, M B; Chen, L-Q; Fong, D D; Ramesh, R; Martin, L W

2017-10-01

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO 3 /SrTiO 3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a 1 /a 2 phase. At room temperature, the coexisting vortex and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Our findings suggest new cross-coupled functionalities.

Phase coexistence and electric-field control of toroidal order in oxide superlattices

NASA Astrophysics Data System (ADS)

Damodaran, A. R.; Clarkson, J. D.; Hong, Z.; Liu, H.; Yadav, A. K.; Nelson, C. T.; Hsu, S.-L.; McCarter, M. R.; Park, K.-D.; Kravtsov, V.; Farhan, A.; Dong, Y.; Cai, Z.; Zhou, H.; Aguado-Puente, P.; García-Fernández, P.; Íñiguez, J.; Junquera, J.; Scholl, A.; Raschke, M. B.; Chen, L.-Q.; Fong, D. D.; Ramesh, R.; Martin, L. W.

2017-10-01

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO3/SrTiO3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a1/a2 phase. At room temperature, the coexisting vortex and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Our findings suggest new cross-coupled functionalities.

Phase coexistence and electric-field control of toroidal order in oxide superlattices

DOE PAGES

Damodaran, A. R.; Clarkson, J. D.; Hong, Z.; ...

2017-08-07

Systems that exhibit phase competition, order parameter coexistence, and emergent order parameter topologies constitute a major part of modern condensed-matter physics. Here, by applying a range of characterization techniques, and simulations, we observe that in PbTiO 3/SrTiO 3 superlattices all of these effects can be found. By exploring superlattice period-, temperature- and field-dependent evolution of these structures, we observe several new features. First, it is possible to engineer phase coexistence mediated by a first-order phase transition between an emergent, low-temperature vortex phase with electric toroidal order and a high-temperature ferroelectric a 1/a 2 phase. At room temperature, the coexisting vortexmore » and ferroelectric phases form a mesoscale, fibre-textured hierarchical superstructure. The vortex phase possesses an axial polarization, set by the net polarization of the surrounding ferroelectric domains, such that it possesses a multi-order-parameter state and belongs to a class of gyrotropic electrotoroidal compounds. Finally, application of electric fields to this mixed-phase system permits interconversion between the vortex and the ferroelectric phases concomitant with order-of-magnitude changes in piezoelectric and nonlinear optical responses. Here, our findings suggest new cross-coupled functionalities.« less

Electronic structure of the bismuth family of high-temperature superconductors

NASA Astrophysics Data System (ADS)

Feng, Donglai

High temperature superconductivity remains the central intellectual problem in condensed matter physics fifteen years after its discovery. Angle resolved photoemission spectroscopy (ARPES) directly probes the electronic structure, and has played an important role in the field of high temperature superconductors. With the recent advances in sample growth and the photoemission technique, we are able to study the electronic structure in great detail, and address regimes that were previously inaccessible. This thesis work contains systematic photoemission studies of the electronic structure of the Bi-family of high temperature superconductors, which include the single-layer system (Bi2201), the bi-layer system (Bi2212), and the tri-layer system (Bi2223). We show that, unlike conventional BCS superconductors, phase coherence information emerges in the single particle excitation spectrum of high temperature superconductors as the superconducting peak in Bi2212. The universality and various properties of this superconducting peak are studied in various systems. We argue that the origin of the superconducting peak may provide the key to understanding the mechanism of High-Tc superconductors. In addition, we identified a new experimental energy scale in the bilayer material, the anisotropic intra-bilayer coupling energy. For a long time, it was predicted that this energy scale would cause bilayer band splitting. We observe this phenomenon, for the first time, in heavily overdoped Bi2212. This new observation requires the revision of the previous picture of the electronic excitation in the Brillouin zone boundary. As the first ARPES study of a trilayer system, various detailed electronic properties of Bi2223 are examined. We show that, comparing with Bi2212, both superconducting gap and relative superconducting peak intensity become larger in Bi2223, however, the strength of the interlayer coupling within each unit cell is possibly weaker. These results suggest that the large superconducting phase transition temperature in a high temperature superconductor is associated with parameters that cause both large pairing strength and strong phase coherence in the system. The number of CuO2 layers in each unit cell is just one of the factors that affect these parameters.

On the S-phase formation and the balanced plasma nitriding of austenitic-ferritic super duplex stainless steel

NASA Astrophysics Data System (ADS)

de Oliveira, Willian R.; Kurelo, Bruna C. E. S.; Ditzel, Dair G.; Serbena, Francisco C.; Foerster, Carlos E.; de Souza, Gelson B.

2018-03-01

The different physical responses of austenite (γ) and ferrite (α) iron structures upon nitriding result in technical challenges to the uniform modification of α-γ materials, as the super duplex stainless steel (SDSS). The effects of voltage (7-10 kV), frequency and pulse width on the nitrogen plasma immersion ion implantation of SDSS (α ∼ 56%, γ ∼ 44%) were investigated, correlated with structural, morphological and mechanical analyses. By controlling the treatment power, temperatures ranged from 292 °C to 401 °C. Despite the overall increase in hardness for any of the employed parameters (from ∼6 GPa to ∼15 GPa), the structure of individual grains was strikingly dissimilar at the same temperatures, depending on the energetic conditions of implantation. Modified-α grains containing iron nitrides (ε-Fe2-3N, γ‧ -Fe4N) presented intense brittleness, whereas the expanded phase γN (S-phase) laid principally in modified-γ grains, exhibiting ductile-like deformation features and thicker layers. The γN was the dominant phase in both α-γ grains at ∼401 °C, providing them with balanced structure and mechanical behavior. These phenomena corroborate with γN as mediator of the process, through a mechanism involving the nitrogen-promoted ferrite to austenite conversion and nitrides dissolution at high temperatures. An approximately linear correlation of the γN content with respect to the ion energy per pulse was demonstrated, which properly embodies limiting effects to the treatment. This can be a parameter for the α-γ steel surface modification, consisting in a better adjustment to obtain more precise control along with temperature.

The effect of pressure on the structural, electronic, magnetic, and thermodynamic properties of the Mn2RuGe inverse Heusler alloy

NASA Astrophysics Data System (ADS)

Song, Ting; Sun, Xiao-Wei; Tian, Jun-Hong; Wei, Xiao-Ping; Wan, Gui-Xin; Ma, Qin

2017-04-01

In the frame of density functional theory, first-principles calculations based on generalized gradient approximation and quasi-harmonic Debye approximation model in which the phononic effects are taken into account have been carried out to investigate the structural, electronic, magnetic, and thermodynamic properties of full-Heusler alloy Mn2RuGe in CuHg2Ti-type structure in the pressure range of 0-50 GPa. Present calculations predict that Mn2RuGe is a ferrimagnet with an optimized lattice parameter of 5.854 Å. The calculated total magnetic moment of 2.01 μB per formula unit is very close to integer value and agree well with the Slater-Pauling rule, where the partial spin moments of Mn (A) and Mn (B) which mainly contribute to the total magnetic moment are 2.66 μB and -0.90 μB, respectively. In the study of the energy band structures and density of states, Mn2RuGe exhibits half-metallicity with an indirect gap of 0.235 eV in the spin-down channels, and the shifting of bands towards higher energies in spin-down channel under high pressure. Meanwhile, the high-pressure thermodynamic properties of Mn2RuGe, such as the pressure-volume-temperature relationship, bulk modulus, thermal expansivity, heat capacity, Debye temperature, and Grüneisen parameter are evaluated systematically in the temperature range of 0-900 K. This set of data is considered as the useful information to understand the high-pressure and high-temperature properties for the Mn2RuZ-type Heusler alloy family.

Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

NASA Technical Reports Server (NTRS)

Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W., Jr.

2012-01-01

A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

Metallic behavior and periodical valence ordering in a MMX chain compound, Pt(2)(EtCS(2))(4)I.

PubMed

Mitsumi, M; Murase, T; Kishida, H; Yoshinari, T; Ozawa, Y; Toriumi, K; Sonoyama, T; Kitagawa, H; Mitani, T

2001-11-14

A new one-dimensional (1-D) halogen-bridged mixed-valence diplatinum(II,III) compound, Pt(2)(EtCS(2))(4)I (3), has been successfully synthesized from [Pt(2)(EtCS(2))(4)] (1) and [Pt(2)(EtCS(2))(4)I(2)] (2). These three compounds have been examined using UV-visible-near-IR, IR, polarized Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and X-ray crystal structure analyses (except for 1). Compound 3 was further characterized through electrical transport measurements, determination of the temperature dependence of lattice parameters, X-ray diffuse scattering, and SQUID magnetometry. 3 crystallizes in the monoclinic space group C2/c and exhibits a crystal structure consisting of neutral 1-D chains with a repeating -Pt-Pt-I- unit lying on the crystallographic 2-fold axis parallel to the b axis. The Pt-Pt distance at 293 K is 2.684 (1) A in the dinuclear unit, while the Pt-I distances are essentially equal (2.982 (1) and 2.978 (1) A). 3 shows relatively high electrical conductivity (5-30 S cm(-1)) at room temperature and undergoes a metal-semiconductor transition at T(M-S) = 205 K. The XPS spectrum in the metallic state reveals a Pt(2+) and Pt(3+) mixed-valence state on the time scale of XPS spectroscopy ( approximately 10(-17) s). In accordance with the metal-semiconductor transition, anomalies are observed in the temperature dependence of the crystal structure, lattice parameters, X-ray diffuse scattering, and polarized Raman spectra near T(M-S). In variable-temperature crystal structure analyses, a sudden and drastic increase in the Pt-I distance near the transition temperature is observed. Furthermore, a steep increase in U(22) of iodine atoms in the 1-D chain direction has been observed. The lattice parameters exhibit significant temperature dependence with drastic change in slope at about 205-240 K. This was especially evident in the unit cell parameter b (1-D chain direction) as it was found to lengthen rapidly with increasing temperature. X-ray diffraction photographs taken utilizing the fixed-film and fixed-crystal method for the metallic state revealed the presence of diffuse scattering with line shapes parallel to the a* axis indexed as (-, n + 0.5, l) (n; integer). Diffuse scattering with k = n + 0.5 is considered to originate from the 2-fold periodical ordering corresponding to -Pt(2+)-Pt(2+)-I-Pt(3+)-Pt(3+)-I- or -Pt(2+)-Pt(3+)-I-Pt(3+)-Pt(2+)-I- in an extremely short time scale. Diffuse lines corresponding to 2-D ordering progressively decrease in intensity below 252 K and are converted to the diffuse planes corresponding to 1-D ordering near T(M-S). Furthermore, diffuse planes condensed into superlattice reflections below T(M-S). Polarized Raman spectra show temperature dependence through a drastic low-energy shift of the Pt-I stretching mode and also through broadening of bands above T(M-S).

Origins of 1/f noise in nanostructure inclusion polymorphous silicon films

PubMed Central

2011-01-01

In this article, we report that the origins of 1/f noise in pm-Si:H film resistors are inhomogeneity and defective structure. The results obtained are consistent with Hooge's formula, where the noise parameter, αH, is independent of doping ratio. The 1/f noise power spectral density and noise parameter αH are proportional to the squared value of temperature coefficient of resistance (TCR). The resistivity and TCR of pm-Si:H film resistor were obtained through linear current-voltage measurement. The 1/f noise, measured by a custom-built noise spectroscopy system, shows that the power spectral density is a function of both doping ratio and temperature. PMID:21711802

Evolution of structural, magnetic and transport behavior by Pr doping in SrRuO3

NASA Astrophysics Data System (ADS)

Gupta, Renu; Pramanik, A. K.

2018-05-01

Here we report the evolution of structural, magnetic and transport behavior in perovskite based ruthenates Sr1-xPrxRuO3 (x=0.0 and 0.1). The substitution of Pr on Sr site retains orthorhombic structure while we find the slight change in structural parameters. The SrRuO3 has itinerant ferromagnet (FM) type nature of ordering temperature ˜160 K and below the transition temperature showing large bifurcation between ZFC and FC magnetization. By Pr doping, the magnetic moment decreases with decreasing bifurcation of ZFC and FC. The ZFC data show three distinct peaks (three transition temperature; TM1,TM2 and TM3). The magnetization study of both the samples, at high temperature fitted with modified CWL showing the decreasing value of ordering temperature by Pr doping matches close to TM2. The low-temperature isothermal magnetization M (H) data show that the high field saturation moment has decreased by Pr doping. The Arrott plot gives spontaneous magnetization (Ms) which is also decreased by Pr substitution. Evolution of Rhodes-Wohlfarth ratio value increases, which suggests that FM in this system evolves toward the more itinerant type by Pr doping. The electrical resistivity ρ(T) of both the samples show metallic behavior, in the all temperature range and ρ(T) increases by Pr doping while around below 45 K, the resistivity decreases by Pr doping and this crossing temperature also matches with ZFC data.

Correlation between thermal parameters, structures, dendritic spacing and corrosion behavior of Zn Al alloys with columnar to equiaxed transition

NASA Astrophysics Data System (ADS)

Ares, A. E.; Gassa, L. M.; Gueijman, S. F.; Schvezov, C. E.

2008-04-01

The columnar to equiaxed transition (CET) has been examined for many years and the significance of CET has been treated in several articles. Experimental observations in different alloy systems have shown that the position of the transition is dependent on parameters like cooling rate, velocity of the liquidus and solidus fronts, local solidification time, temperature gradients and recalescence. The dendritic structure in alloys results in microsegregation of solute species which affects significantly the mechanical properties of the material. The main parameters characterizing the microstructure and the length range of microsegregation is the spacing which is classified as primary, secondary and tertiary. Properties like mechanical resistance and ductility are influenced by the dimensions and continuity of the primary branches, while the secondary and tertiary branches permit the isolation of interdendritic phases which can deteriorate the mechanical behavior of the material. Since the morphology and dimensions of the dendritic structure is related to the solidification parameters mentioned above, for each type of alloy it is essential to correlate dimensions and solidification conditions in order to control the structure. The objective of the present research consists on studying the influence of solidification thermal parameters with the type of structure (columnar, equiaxial or with the CET); and with grain size and dendritic spacing (primary and secondary) in Zn-Al (ZA) alloys (Zn—4 wt%Al, Zn—16 wt%Al and Zn—27 wt%Al, weight percent). Also, correlate the thermal parameters, type of structure, grain size and dendritic spacing with the corrosion resistance of these alloys.

Thermal optimum design for tracking primary mirror of Space Telescope

NASA Astrophysics Data System (ADS)

Pan, Hai-jun; Ruan, Ping; Li, Fu; Wang, Hong-Wei

2011-08-01

In the conventional method, the structural parameters of primary mirror are usually optimized just by the requirement of mechanical performance. Because the influences of structural parameters on thermal stability are not taken fully into account in this simple method, the lightweight optimum design of primary mirror usually brings the bad thermal stability, especially in the complex environment. In order to obtain better thermal stability, a new method about structure-thermal optimum design of tracking primary mirror is discussed. During the optimum process, both the lightweight ratio and thermal stability will be taken into account. The structure-thermal optimum is introduced into the analysis process and commenced after lightweight design as the secondary optimum. Using the engineering analysis of software ANSYS, a parameter finite element analysis (FEA) model of mirror is built. On the premise of appropriate lightweight ratio, the RMS of structure-thermal deformation of mirror surface and lightweight ratio are assigned to be state variables, and the maximal RMS of temperature gradient load to be object variable. The results show that certain structural parameters of tracking primary mirror have different influences on mechanical performance and thermal stability, even they are opposite. By structure-thermal optimizing, the optimized mirror model discussed in this paper has better thermal stability than the old one under the same thermal loads, which can drastically reduce difficulty in thermal control.

Influence of temperature fluctuations during cryopreservation on vital parameters, differentiation potential, and transgene expression of placental multipotent stromal cells.

PubMed

Pogozhykh, Denys; Pogozhykh, Olena; Prokopyuk, Volodymyr; Kuleshova, Larisa; Goltsev, Anatoliy; Blasczyk, Rainer; Mueller, Thomas

2017-03-11

Successful implementation of rapidly advancing regenerative medicine approaches has led to high demand for readily available cellular suspensions. In particular, multipotent stromal cells (MSCs) of placental origin have shown therapeutic efficiency in the treatment of numerous pathologies of varied etiology. Up to now, cryopreservation is the only effective way to preserve the viability and unique properties of such cells in the long term. However, practical biobanking is often associated with repeated temperature fluctuations or interruption of a cold chain due to various technical, transportation, and stocking events. While biochemical processes are expected to be suspended during cryopreservation, such temperature fluctuations may lead to accumulation of stress as well as to periodic release of water fractions in the samples, possibly leading to damage during long-term storage. In this study, we performed a comprehensive analysis of changes in cell survival, vital parameters, and differentiation potential, as well as transgene expression of placental MSCs after temperature fluctuations within the liquid nitrogen steam storage, mimicking long-term preservation in practical biobanking, transportation, and temporal storage. It was shown that viability and metabolic parameters of placental MSCs did not significantly differ after temperature fluctuations in the range from -196 °C to -100 °C in less than 20 cycles in comparison to constant temperature storage. However, increasing the temperature range to -80 °C as well as increasing the number of cycles leads to significant lowering of these parameters after thawing. The number of apoptotic changes increases depending on the number of cycles of temperature fluctuations. Besides, adhesive properties of the cells after thawing are significantly compromised in the samples subjected to temperature fluctuations during storage. Differentiation potential of placental MSCs was not compromised after cryopreservation with constant end temperatures or with temperature fluctuations. However, regulation of various genes after cryopreservation procedures significantly varies. Interestingly, transgene expression was not compromised in any of the studied samples. Alterations in structural and functional parameters of placental MSCs after long-term preservation should be considered in practical biobanking due to potential temperature fluctuations in samples. At the same time, differentiation potential and transgene expression are not compromised during studied storage conditions, while variation in gene regulation is observed.

Folding-unfolding transitions of Rv3221c on the pressure-temperature plane

NASA Astrophysics Data System (ADS)

Somkuti, Judit; Jain, Sriyans; Ramachandran, Srinivasan; ászló Smeller, L.

2013-06-01

Rv3221c is a biotin-binding protein found in Mycobacterium tuberculosis. It has been reported that an elevated temperature is needed for it to adopt a folded conformation. We determined the complete pressure-temperature phase diagram, and determined the thermodynamical parameters of the denaturation. The phase diagram follows well the Hawley theory. The secondary structure of the protein was found to contain predominantly beta sheet. The pressure unfolding was partially reversible, resulting in pressure-sensitive aggregates, besides the correctly refolded and biotin-bound fraction of proteins.

Spectroscopic studies of clusterization of methanol molecules isolated in a nitrogen matrix

NASA Astrophysics Data System (ADS)

Vaskivskyi, Ye.; Doroshenko, I.; Chernolevska, Ye.; Pogorelov, V.; Pitsevich, G.

2017-12-01

IR absorption spectra of methanol isolated in a nitrogen matrix are recorded at temperatures ranging from 9 to 34 K. The changes in the spectra with increasing matrix temperature are analyzed. Based on quantum-chemical calculations of the geometric and spectral parameters of different methanol clusters, the observed absorption bands are identified. The cluster composition of the sample is determined at each temperature. It is shown that as the matrix is heated there is a redistribution among the different cluster structures in the sample, from smaller to larger clusters.

Conformational and Structural Studies of Isopropylamine from Temperature Dependent Raman Spectra of Xenon Solutions and {AB INITIO} Calculations

NASA Astrophysics Data System (ADS)

Klaassen, Joshua J.; Darkhalil, Ikhlas D.; Durig, James R.

2012-06-01

The Raman and infrared spectra (4000 to 50 cm-1) of the gas, liquid or solution, and solid have been recorded of isopropylamine, (CH3)2CHNH2. Variable temperature (-50 to -100oC) studies of the Raman spectra (3500 to 100 cm-1) dissolved in liquid xenon have been carried out. From these data, both the {trans} and {gauche} conformers have been identified and their relative stability obtained. The enthalpy difference has been determined from 20 band pairs at 6 temperatures to be 113 +/- 11 cm-1 (1.35 +/- 0.13 kJ mol-1) with the {trans} conformer the more stable form. The percentage of the {gauche} conformer is estimated to be 54 +/- 1 percent at ambient temperature. The conformational stabilities have been predicted from {ab initio} calculations utilizing several different basis sets up to aug-cc-pVTZ from both MP2(full) and density functional theory calculations by the B3LYP method. By utilizing previously reported microwave rotational constants along with {ab initio} MP2(full)/6-311+G(d,p) predicted structural values, adjusted r0 parameters have been obtained for the {trans} conformer. The determined heavy atom and NH2 distances in angstroms are C-C = 1.530(3), C-N = 1.465(3), N-H = 1.019(3) and angles in degrees NCC = 108.9(5), CCC = 111.0(5), HNC = 110.3(5). The structural parameters for the {gauche} conformer were estimated by using the same adjustment differences to the {gauche} form as those obtained for the corresponding {trans} parameters. Vibrational assignments have been provided for the observed bands for both conformers which are supported by MP2(full)/6-31G(d) {ab initio} calculations to predict harmonic force constants, wavenumbers, infrared intensities, Raman activities and depolarization ratios for both conformers. The results are discussed and compared to the corresponding properties of some related molecules.

Exchange field and Hc dependence on the ferromagnetic material in exchange couples with CoO (abstract)

NASA Astrophysics Data System (ADS)

Takano, Kentaro; Berkowitz, A. E.

1997-04-01

As recording density increases, magnetoresistive (MR) sensors are becoming increasingly important in read heads. NixCo(1-x)O is receiving technological attention for biasing magnetoresistive sensors as a robust alternative to FeMn. The interfacial exchange coupling between a ferromagnetic (FM) layer and an antiferromagnetic (AFM) is observed as an exchange field and an enhanced coercive field of the FM layer. The AFM/FM coupling is sensitive to the interfacial structure and the AFM and FM magnetic parameters. In this work, we deposited various FM layers on similar 300 Å CoO base layers to study the dependence of the FM exchange integral parameter J on the exchange HE and coercive HC fields. CoO was selected as the AFM material because (i) its simple spin and crystal structures facilitate the structural characterization and modeling of its magnetic properties, and (ii) it's modest Néel temperature of 300 K facilitates the use of a superconducting quantum interference device for the magnetic measurements at temperatures ranging from 5 to 400 K. The 300 Å CoO films were reactively sputtered on silicon substrates and capped with various 300 Å FM films, Ni, Co, Fe, and permalloy (Ni81Fe19). The 300 Å CoO base layer films were polycrystalline with columnar grains. The CoO deposition conditions were reproduced to ensure similar structural and magnetic interfacial AF environments. The observed HE temperature dependence cannot be explained by current theoretical models. The temperature dependence of the exchange fields have the common features (i) a blocking temperature Tb=300 K, which corresponds to the bulk Néel temperature of CoO, (ii) a rise in the exchange field with decreasing temperature, (iii) an intermediate temperature region of constant HE (plateau value), and (iv) a second region of linearly increasing HE with decreasing temperatures down to 0 K. The plateau value of the HE decreased inversely with increasing FM magnetization as predicted by theory. The low-temperature increase of HE is more significant in the FM with higher exchange integral J values. The crossover temperature from the plateau to the low-temperature rise in HE appears to be dependent on FM's J value. The increase in the interfacial coupling strength could suggest the magnetic ordering of a secondary phase localized at the interfacial atoms. The temperature dependence of HC enhancement does not share the nonlinear temperature behavior of HE. For T<300 K, HC increases linearly with decreasing temperatures down to 10 K. Although the HC enhancement may have magnetoelastic contributions, the disappearance of the linear enhancement at 300 K, the Néel temperature of CoO, indicates that the dominant mechanism is the interfacial magnetic coupling.

Nonequiatomic NiTi Alloy Produced by Self Propagating High Temperature Synthesis

NASA Astrophysics Data System (ADS)

Bassani, P.; Bassani, E.; Tuissi, A.; Giuliani, P.; Zanotti, C.

2014-07-01

Shape memory alloy NiTi in porous form is of high interest as implantable material, as low apparent elastic modulus, comparable to that of bone, can be achieved. This condition, combined with proper pore size, allows good osteointegration. Porous NiTi can be produced by self propagating high temperature synthesis (SHS), starting from mixed powders of pure Ni and Ti. Process parameters, among which powder compaction degree and preheating temperature, strongly influence the reaction temperature and the resulting product: at low reaction temperatures, high quantity of secondary phases are formed, which are generally considered detrimental for biocompatibility. On the contrary, at higher reaction temperatures, the powders melt and crystallize in ingots. The porous structure is lost and huge pores are formed. Mechanical activation of powders through ball milling and addition of TiH x are investigated as means to reduce reaction temperature and overheating, in order to preserve high porosity and limit secondary phases content. Both processes affect SHS reaction, and require adjustment of parameters such as heating rate. Changes in porous shape and size were observed especially for TiH x additions: the latter could be a promising route to obtain shaped porous products of improved quality.

Nonlinear optical parameters of nanocrystalline AZO thin film measured at different substrate temperatures

NASA Astrophysics Data System (ADS)

Jilani, Asim; Abdel-wahab, M. Sh; Al-ghamdi, Attieh A.; Dahlan, Ammar sadik; Yahia, I. S.

2016-01-01

The 2.2 wt% of aluminum (Al)-doped zinc oxide (AZO) transparent and preferential c-axis oriented thin films were prepared by using radio frequency (DC/RF) magnetron sputtering at different substrate temperature ranging from room temperature to 200 °C. For structural analysis, X-ray Diffraction (XRD) and Atomic Force Electron Microscope (AFM) was used for morphological studies. The optical parameters such as, optical energy gap, refractive index, extinction coefficient, dielectric loss, tangent loss, first and third order nonlinear optical properties of transparent films were investigated. High transmittance above 90% and highly homogeneous surface were observed in all samples. The substrate temperature plays an important role to get the best transparent conductive oxide thin films. The substrate temperature at 150 °C showed the growth of highly transparent AZO thin film. Energy gap increased with the increased in substrate temperature of Al doped thin films. Dielectric constant and loss were found to be photon energy dependent with substrate temperature. The change in substrate temperature of Al doped thin films also affect the non-liner optical properties of thin films. The value of χ(3) was found to be changed with the grain size of the thin films that directly affected by the substrate temperature of the pure and Al doped ZnO thin films.

Structural and low temperature dielectric studies on Pb0.8Bi0.2Fe0.6Nb0.4O3 multiferroic solid solution

NASA Astrophysics Data System (ADS)

Dadami, Sunanda T.; Matteppanvar, Shidaling; Shivaraja, I.; Rayaprol, Sudhindra; Deshapande, S. K.; Angadi, Basavaraj

2018-05-01

In this paper the structural and low temperature dielectric properties of Pb0.8Bi0.2Fe0.6Nb0.4O3 (PBFNO) multiferroic solid solution were reported. PBFNO multiferroic was synthesized by single step solid state reaction method. Calcination was carried out at 700 °/2hr with different sintering temperature (800 °C, 850 °C, 900 °C, 950 °C, 1000 °C and 1050 °C for 1 hr) and time duration (800 °C for 1 to 5 hr). Single phase was confirmed through room temperature (RT) X-ray Diffraction (XRD). It was found that sintering carried out at 800°C/3 hr gives single phase. Rietveld refined lattice parameters using monoclinic structure are: a = 5.6663(1) Å, b = 5.6694(1) Å, c = 4.0112(1) Å and β = 90.038(1)° with the average grain size as 2.987 µm. The dielectric properties studied over a wide range of frequency (100 Hz - 5 MHz) and temperature (133 K - 293 K). Dielectric constant and loss tangent exhibits frequency dispersion nature at low frequency region. AC conductivity increases with increase in temperature corresponds to negative temperature coefficient of resistance (NTCR) behaviour.

Effect of temperature, viscosity and surface tension on gelatine structures produced by modified 3D printer

NASA Astrophysics Data System (ADS)

Kalkandelen, C.; Ozbek, B.; Ergul, N. M.; Akyol, S.; Moukbil, Y.; Oktar, F. N.; Ekren, N.; Kılıc, O.; Kılıc, B.; Gunduz, O.

2017-12-01

In the present study, gelatine scaffolds were manufactured by using modified 3D (3 Dimensional) printing machine and the effect of different parameters on scaffold structure were investigated. Such as; temperature, viscosity and surface tension of the gelatine solutions. The varying of gelatine solutions (1, 3, 5, 10, 15 and 20 wt.%) were prepared and characterized. It has been detected that, viscosity of those solutions were highly influenced by temperature and gelatine concentration. Specific CAD (Computer Assistant Design) model which has 67% porosity and original design were created via computer software. However, at high temperatures gelatine solutions caused like liquid but at the lower temperatures were observed the opposite behaviour. In addition to that, viscosity of 1,3,5 wt.% solutions were not enough to build a structure and 20 wt.% gelatine solution too hard to handle, because of the sudden viscosity changes with temperature. Even though, scaffold of the 20 wt.% gelatine solution printed hardly but it was observed the best printed solutions, which were 10 and 15 wt.% gelatine solutions. As a result, 3D printing of gelatine were found the values of the best temperature, viscosity, surface tension and gelatine concentration such as 25-35 °C, 36-163 cP, 46-59 mN/m and 15 wt.% gelatine concentration respectively.

Metalorganic Vapor-Phase Epitaxy Growth Parameters for Two-Dimensional MoS2

NASA Astrophysics Data System (ADS)

Marx, M.; Grundmann, A.; Lin, Y.-R.; Andrzejewski, D.; Kümmell, T.; Bacher, G.; Heuken, M.; Kalisch, H.; Vescan, A.

2018-02-01

The influence of the main growth parameters on the growth mechanism and film formation processes during metalorganic vapor-phase epitaxy (MOVPE) of two-dimensional MoS2 on sapphire (0001) have been investigated. Deposition was performed using molybdenum hexacarbonyl and di- tert-butyl sulfide as metalorganic precursors in a horizontal hot-wall MOVPE reactor from AIXTRON. The structural properties of the MoS2 films were analyzed by atomic force microscopy, scanning electron microscopy, and Raman spectroscopy. It was found that a substrate prebake step prior to growth reduced the nucleation density of the polycrystalline film. Simultaneously, the size of the MoS2 domains increased and the formation of parasitic carbonaceous film was suppressed. Additionally, the influence of growth parameters such as reactor pressure and surface temperature is discussed. An upper limit for these parameters was found, beyond which strong parasitic deposition or incorporation of carbon into MoS2 took place. This carbon contamination became significant at reactor pressure above 100 hPa and temperature above 900°C.

Highly antibacterial activity of N-doped TiO2 thin films coated on stainless steel brackets under visible light irradiation

NASA Astrophysics Data System (ADS)

Cao, Shuai; Liu, Bo; Fan, Lingying; Yue, Ziqi; Liu, Bin; Cao, Baocheng

2014-08-01

In this study, the radio frequency (RF) magnetron sputtering method was used to prepare a TiO2 thin film on the surface of stainless steel brackets. Eighteen groups of samples were made according to the experimental parameters. The crystal structure and surface morphology were characterized by X-ray diffraction, and scanning electron microscopy, respectively. The photocatalytic properties under visible light irradiation were evaluated by measuring the degradation ratio of methylene blue. The sputtering temperature was set at 300 °C, and the time was set as 180 min, the ratio of Ar to N was 30:1, and annealing temperature was set at 450 °C. The thin films made under these parameters had the highest visible light photocatalytic activity of all the combinations of parameters tested. Antibacterial activities of the selected thin films were also tested against Lactobacillus acidophilus and Candida albicans. The results demonstrated the thin film prepared under the parameters above showed the highest antibacterial activity.

Effects of bay substituents on the racemization barriers of perylene bisimides: resolution of atropo-enantiomers.

PubMed

Osswald, Peter; Würthner, Frank

2007-11-21

The activation parameters for the interconversion of atropisomers (P- and M-enantiomer) of core-twisted perylene bisimides have been determined by dynamic NMR spectroscopy (DNMR) and time- and temperature-dependent CD spectroscopy. By comparing the activation parameters of a series of perylene bisimides containing halogen or aryloxy substituents in the bay area (1,6,7,12-positions), a clear structure-property relationship has been found that demonstrates that the kinetic and thermodynamic parameters for the inversion of enantiomers are dependent on the apparent overlap parameter Sigmar* of the bay substituents. This study reveals a high stability (DeltaG(368 K) = 118 kJ/mol) for the atropo-enantiomers of tetrabromo-substituted perylene bisimide in solution. Accordingly, the enantiomers of this derivative could be resolved by HPLC on a chiral column. These enantiomers do not racemize in solution at room temperature and, thus, represent the first examples of enantiomerically pure core-twisted perylene bisimides.

Process parameter-growth environment-film property relationships for reactive sputter deposited metal (V, Nb, Zr, Y, Au) oxide, nitride, and oxynitride films. Final report, 1 January 1989-30 June 1993

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

Aita, C.R.

1993-09-30

The research developed process parameter-growth environment-film property relations (phase maps) for model sputter-deposited transition metal oxides, nitrides, and oxynitrides grown by reactive sputter deposition at low temperature. Optical emission spectrometry was used for plasma diagnostics. The results summarized here include the role of sputtered metal-oxygen molecular flux in oxide film growth; structural differences in highest valence oxides including conditions for amorphous growth; and using fundamental optical absorption edge features to probe short range structural disorder. Eight appendices containing sixteen journal articles are included.

Effect of WO3 on EPR, structure and electrical conductivity of vanadyl doped WO3·M2O·B2O3 (M=Li, Na) glasses

NASA Astrophysics Data System (ADS)

Sheoran, A.; Agarwal, A.; Sanghi, S.; Seth, V. P.; Gupta, S. K.; Arora, M.

2011-12-01

Glasses with composition xWO3·(30-x)M2O·70B2O3 (M=Li, Na; 0≤x≤15) doped with 2 mol% V2O5 have been prepared using the melt-quench technique. The electron paramagnetic resonance spectra have been recorded in X-band (ν≈9.14 GHz) at room temperature (RT). The spin Hamiltonian parameters, dipolar hyperfine coupling parameter and Fermi contact interaction parameter have been calculated. It is observed that the resultant resonance spectra contain hyperfine structures (hfs) only due to V4+ ions, which exist as VO2+ ions in octahedral coordination with a tetragonal compression in the present glass system. The tetragonality increases with WO3:M2O ratio and also there is an expansion of 3dxy orbit of unpaired electron in the vanadium ion. The study of IR transmission spectra over a range 400-4000 cm-1 depicts the presence of WO6 group. The DC conductivity (σ) has been measured in the temperature range 423-623 K and is found to be predominantly ionic.

CO2 capture by means of an enzyme-based reactor

NASA Technical Reports Server (NTRS)

Cowan, R. M.; Ge, J-J; Qin, Y-J; McGregor, M. L.; Trachtenberg, M. C.

2003-01-01

We report a means for efficient and selective extraction of carbon dioxide (CO(2)) at low to medium concentration from mixed gas streams. CO(2) capture was accomplished by use of a novel enzyme-based, facilitated transport contained liquid membrane (EBCLM) reactor. The parametric studies we report explore both structural and operational parameters of this design. The structural parameters include carbonic anhydrase (CA) concentration, buffer concentration and pH, and liquid membrane thickness. The operational parameters are temperature, humidity of the inlet gas stream, and CO(2) concentration in the feed stream. The data show that this system effectively captures CO(2) over the range 400 ppm to at least 100,000 ppm, at or around ambient temperature and pressure. In a single pass across this homogeneous catalyst design, given a feed of 0.1% CO(2), the selectivity of CO(2) versus N(2) is 1,090 : 1 and CO(2) versus O(2) is 790 :1. CO(2) permeance is 4.71 x 10(-8) molm(-2) Pa(-1) sec(-1). The CLM design results in a system that is very stable even in the presence of dry feed and sweep gases.

Pronounced pre-martensitic anomaly in the magnetization on Ni2MnGa thin films

NASA Astrophysics Data System (ADS)

Neckel, I. T.; Müller, C.; Nobrega, K. Z.; Dartora, C. A.; Schreiner, W. H.; Mosca, D. H.

2018-05-01

We have prepared [110]-textured Ni2MnGa thin films exhibiting an unusual pre-martensitic transition accompanied by an extremely large magnetization change. The thin films were grown by molecular beam epitaxy directly on epi-ready GaAs(111)B. Crystalline structure was investigated in situ by reflection high-energy electron diffraction (RHEED) and ex situ by x-ray diffraction (XRD) and transmission electron microscopy (TEM). The results show that the film exhibits cubic crystalline structure (L2 1) at room temperature with lattice parameter a = 5.88 Å which undergoes martensitic transition. Magnetic characterization shows ferromagnetic behavior at room temperature with Curie temperature higher than room temperature. Martensitic transformation occurs at TM ∼ 185 K. A phenomenological model based on Landau theory of phase transformation was developed to explain the anomalous pre-martensitic transition at ∼285 K.

Spectroscopic Study of Deep Level Emissions from Acceptor Defects in ZnO Thin Films with Oxygen Rich Stoichiometry

NASA Astrophysics Data System (ADS)

Ilyas, Usman; Rawat, R. S.; Tan, T. L.

2013-10-01

This paper reports the tailoring of acceptor defects in oxygen rich ZnO thin films at different post-deposition annealing temperatures (500-800°C) and Mn doping concentrations. The XRD spectra exhibited the nanocrystalline nature of ZnO thin films along with inconsistent variation in lattice parameters suggesting the temperature-dependent activation of structural defects. Photoluminescence emission spectra revealed the temperature dependent variation in deep level emissions (DLE) with the presence of acceptors as dominating defects. The concentration of native defects was estimated to be increased with temperature while a reverse trend was observed for those with increasing doping concentration. A consistent decrease in DLE spectra, with increasing Mn content, revealed the quenching of structural defects in the optical band gap of ZnO favorable for good quality thin films with enhanced optical transparency.

Mapping Isobaric Aging onto the Equilibrium Phase Diagram.

PubMed

Niss, Kristine

2017-09-15

The linear volume relaxation and the nonlinear volume aging of a glass-forming liquid are measured, directly compared, and used to extract the out-of-equilibrium relaxation time. This opens a window to investigate how the relaxation time depends on temperature, structure, and volume in parts of phase space that are not accessed by the equilibrium liquid. It is found that the temperature dependence of relaxation time is non-Arrhenius even in the isostructural case-challenging the Adam-Gibbs entropy model. Based on the presented data and the idea that aging happens through quasiequilibrium states, we suggest a mapping of the out-of-equilibrium states during isobaric aging to the equilibrium phase diagram. This mapping implies the existence of isostructural lines in the equilibrium phase diagram. The relaxation time is found to depend on the bath temperature, density, and a just single structural parameter, referred to as an effective temperature.

Effect of Elevated Temperature on Mechanical Assets of Metakaolin Base Steel Fiber Reinforced Concrete

NASA Astrophysics Data System (ADS)

Vijay Anand, M.; Ibrahim, Azmi; Patil, Anand A.; Muthu, K. U.

2017-06-01

The fact of vast usage of concrete leads to important problems regarding its design and preparation of eco-friendly to obtain an economic cost of the product on varieties of time periods. Conventional ordinary Portland concrete may not able to meet its functional requisites as it found inconsistency in high temperature. The exposing of concrete structure to elevated temperature may be in case of rocket launching space ships, nuclear power plants. In this experiment, to enhance the high temperature resistance, pozzolanic materials and steel fibres are added to preserve the strength characteristics of concrete structure. In this analysis, the pozzolanic admixture MK is used as partial replacement of cementatious materials. The volume fraction of steel fibre is varied 0.25%, 0.5%, 0.75% and 1% by preserving MK as stationary for 10% replacement of cement. The strength parameters of concrete such as compressive strength, split tensile strength and flexural strength are studied.

Temperature dependence of local structural changes around transition metal centers Cr3+ and Mn2+ in RAl3(BO3)4 crystals studied by EMR

NASA Astrophysics Data System (ADS)

Açıkgöz, Muhammed; Rudowicz, Czesław; Gnutek, Paweł

2017-11-01

Theoretical investigations are carried out to determine the temperature dependence of the local structural parameters of Cr3+ and Mn2+ ions doped into RAl3(BO3)4 (RAB, R = Y, Eu, Tm) crystals. The zero-field splitting (ZFS) parameters (ZFSPs) obtained from the spin Hamiltonian (SH) analysis of EMR (EPR) spectra serve for fine-tuning the theoretically predicted ZFSPs obtained using the semi-empirical superposition model (SPM). The SPM analysis enables to determine the local structure changes around Cr3+ and Mn2+ centers in RAB crystals and explain the observed temperature dependence of the ZFSPs. The local monoclinic C2 site symmetry of all Al sites in YAB necessitates consideration of one non-zero monoclinic ZFSP (in the Stevens notation, b21) for Cr3+ ions. However, the experimental second-rank ZFSPs (D =b20 , E = 1 / 3b22) were expressed in a nominal principal axis system. To provide additional insight into low symmetry aspects, the distortions (ligand's distances ΔRi and angular distortions Δθi) have been varied while preserving monoclinic site symmetry, in such way as to obtain the calculated values (D, E) close to the experimental ones, while keeping b21 close to zero. This procedure yields good matching of the calculated ZFSPs and the experimental ones, and enables determination of the corresponding local distortions. The present results may be useful in future studies aimed at technological applications of the Huntite-type borates with the formula RM3(BO3)4. The model parameters determined here may be utilized for ZFSP calculations for Cr3+ and Mn2+ ions at octahedral sites in single-molecule magnets and single-chain magnets.

Rheological and structural properties of sea cucumber Stichopus japonicus during heat treatment

NASA Astrophysics Data System (ADS)

Gao, Xin; Xue, Dongmei; Zhang, Zhaohui; Xu, Jiachao; Xue, Changhu

2005-07-01

Changes in tissue structure, rheological properties and water content of raw and heated sea cucumber meat were studied. Sea cucumber Stichopus japonicus was heated at 25°C , 70°C and 100°C water for 5 min. The structural changes were observed using a light microscope and the rheological parameters (rupture strength, adhesive strength and deformation) determined using a texture meter. Microscopic photograph revealed that the structural change of heated meat was greater than that of raw meat. The rupture strength, adhesive strength and deformation of raw meat were smaller than those of the heated meat. Meanwhile, rheological parameters showed positive correlation with heating temperature. These changes are mainly caused by thermal denaturation and gelatinization of collagen during heating. These changes were also evidenced in observations using a light microscope and differential scanning calorimetry.

Rayleigh analysis of domain dynamics across temperature induced polymorphic phase transitions in lead-free piezoceramics (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3

NASA Astrophysics Data System (ADS)

Abebe, Mulualem; Brajesh, Kumar; Singh Malhotra, Jaskaran; Ranjan, Rajeev

2018-05-01

We carried out a Rayleigh analysis of the dielectric permittivity of a lead-free piezoceramic system (1‑x)(BaTi0.88Sn0.12)–x(Ba0.7Ca0.3)TiO3 across the composition and temperature induced polymorphic phase transformations to determine the trend in the reversible and irreversible domain wall motion across the composition and temperature induced structural changes. Experiments were carried out on three representative compositions x  =  0.10, 0.2, and 0.25 exhibiting rhombohedral, orthorhombic, and tetragonal phases at room temperature. While confirming that the irreversible Rayleigh parameter is large in the orthorhombic phase, we discuss a correspondence between the reduction in the coercive field and the corresponding increase in the irreversible Rayleigh parameter. We also show how the proximity of the Curie point to the polymorphic phase boundary greatly undermines this correspondence.

57Fe Mössbauer study of stoichiometric iron-based superconductor CaKFe 4As 4: a comparison to KFe 2As 2 and CaFe 2As 2

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

Bud’ko, Sergey L.; Kong, Tai; Meier, William R.

57Fe Mössbauer spectra at different temperatures between ~5 and ~300 K were measured on an oriented mosaic of single crystals of CaKFe 4 As 4. The data indicate that is a well formed compound with narrow spectral lines, no traces of other, Fe – containing, secondary phases in the spectra and no static magnetic order. There is no discernible feature at the superconducting transition temperature in any of the hyperfine parameters. The temperature dependence of the quadrupole splitting approximately follows the empirical ‘ T 3/2 law’. Furthermore, the hyperfine parameters of CaKFe 4 As 4 are compared with those formore » measured in this work, and the literature data for CaFe 2 As 2, and were found to be in between those for these two, ordered, 122 compounds, in agreement with the gross view of CaKFe 4 As 4 as a structural analog of KFe 2 As 2 and CaFe 2 As 2 that has alternating Ca- and K-layers in the structure.« less

Dynamic behavior of acrylic acid clusters as quasi-mobile nodes in a model of hydrogel network

NASA Astrophysics Data System (ADS)

Zidek, Jan; Milchev, Andrey; Vilgis, Thomas A.

2012-12-01

Using a molecular dynamics simulation, we study the thermo-mechanical behavior of a model hydrogel subject to deformation and change in temperature. The model is found to describe qualitatively poly-lactide-glycolide hydrogels in which acrylic acid (AA)-groups are believed to play the role of quasi-mobile nodes in the formation of a network. From our extensive analysis of the structure, formation, and disintegration of the AA-groups, we are able to elucidate the relationship between structure and viscous-elastic behavior of the model hydrogel. Thus, in qualitative agreement with observations, we find a softening of the mechanical response at large deformations, which is enhanced by growing temperature. Several observables as the non-affinity parameter A and the network rearrangement parameter V indicate the existence of a (temperature-dependent) threshold degree of deformation beyond which the quasi-elastic response of the model system turns over into plastic (ductile) one. The critical stretching when the affinity of the deformation is lost can be clearly located in terms of A and V as well as by analysis of the energy density of the system. The observed stress-strain relationship matches that of known experimental systems.

Studies of the micromorphology of sputtered TiN thin films by autocorrelation techniques

NASA Astrophysics Data System (ADS)

Smagoń, Kamil; Stach, Sebastian; Ţălu, Ştefan; Arman, Ali; Achour, Amine; Luna, Carlos; Ghobadi, Nader; Mardani, Mohsen; Hafezi, Fatemeh; Ahmadpourian, Azin; Ganji, Mohsen; Grayeli Korpi, Alireza

2017-12-01

Autocorrelation techniques are crucial tools for the study of the micromorphology of surfaces: They provide the description of anisotropic properties and the identification of repeated patterns on the surface, facilitating the comparison of samples. In the present investigation, some fundamental concepts of these techniques including the autocorrelation function and autocorrelation length have been reviewed and applied in the study of titanium nitride thin films by atomic force microscopy (AFM). The studied samples were grown on glass substrates by reactive magnetron sputtering at different substrate temperatures (from 25 {}°C to 400 {}°C , and their micromorphology was studied by AFM. The obtained AFM data were analyzed using MountainsMap Premium software obtaining the correlation function, the structure of isotropy and the spatial parameters according to ISO 25178 and EUR 15178N. These studies indicated that the substrate temperature during the deposition process is an important parameter to modify the micromorphology of sputtered TiN thin films and to find optimized surface properties. For instance, the autocorrelation length exhibited a maximum value for the sample prepared at a substrate temperature of 300 {}°C , and the sample obtained at 400 {}°C presented a maximum angle of the direction of the surface structure.

Microstructural analysis of hot press formed 22MnB5 steel

NASA Astrophysics Data System (ADS)

Aziz, Nuraini; Aqida, Syarifah Nur; Ismail, Izwan

2017-10-01

This paper presents a microstructural study on hot press formed 22MnB5 steel for enhanced mechanical properties. Hot press forming process consists of simultaneous forming and quenching of heated blank. The 22MnB5 steel was processed at three different parameter settings: quenching time, water temperature and water flow rate. 22MnB5 was processed using 33 full factorial design of experiment (DOE). The full factorial DOE was designed using three factors of quenching time, water temperature and water flow rate at three levels. The factors level were quenching time range of 5 - 11 s, water temperature; 5 - 27°C and water flow rate; 20 - 40 L/min. The as-received and hot press forming processed steel was characterised for metallographic study and martensitic structure area percentage using JEOL Field Emission Scanning Electron Microscopic (FESEM). From the experimental finding, the hot press formed 22MnB5 steel consisted of 50 to 84% martensitic structure area. The minimum quenching time of 8 seconds was required to obtain formed sample with high percentage of martensite. These findings contribute to initial design of processing parameters in hot press forming of 22MnB5 steel blanks for automotive component.

57Fe Mössbauer study of stoichiometric iron-based superconductor CaKFe 4As 4: a comparison to KFe 2As 2 and CaFe 2As 2

DOE PAGES

Bud’ko, Sergey L.; Kong, Tai; Meier, William R.; ...

2017-07-06

57Fe Mössbauer spectra at different temperatures between ~5 and ~300 K were measured on an oriented mosaic of single crystals of CaKFe 4 As 4. The data indicate that is a well formed compound with narrow spectral lines, no traces of other, Fe – containing, secondary phases in the spectra and no static magnetic order. There is no discernible feature at the superconducting transition temperature in any of the hyperfine parameters. The temperature dependence of the quadrupole splitting approximately follows the empirical ‘ T 3/2 law’. Furthermore, the hyperfine parameters of CaKFe 4 As 4 are compared with those formore » measured in this work, and the literature data for CaFe 2 As 2, and were found to be in between those for these two, ordered, 122 compounds, in agreement with the gross view of CaKFe 4 As 4 as a structural analog of KFe 2 As 2 and CaFe 2 As 2 that has alternating Ca- and K-layers in the structure.« less

Growth of InAs/InP core-shell nanowires with various pure crystal structures.

PubMed

Gorji Ghalamestani, Sepideh; Heurlin, Magnus; Wernersson, Lars-Erik; Lehmann, Sebastian; Dick, Kimberly A

2012-07-20

We have studied the epitaxial growth of an InP shell on various pure InAs core nanowire crystal structures by metal-organic vapor phase epitaxy. The InP shell is grown on wurtzite (WZ), zinc-blende (ZB), and {111}- and {110}-type faceted ZB twin-plane superlattice (TSL) structures by tuning the InP shell growth parameters and controlling the shell thickness. The growth results, particularly on the WZ nanowires, show that homogeneous InP shell growth is promoted at relatively high temperatures (∼500 °C), but that the InAs nanowires decompose under the applied conditions. In order to protect the InAs core nanowires from decomposition, a short protective InP segment is first grown axially at lower temperatures (420-460 °C), before commencing the radial growth at a higher temperature. Further studies revealed that the InP radial growth rate is significantly higher on the ZB and TSL nanowires compared to WZ counterparts, and shows a strong anisotropy in polar directions. As a result, thin shells were obtained during low temperature InP growth on ZB structures, while a higher temperature was used to obtain uniform thick shells. In addition, a schematic growth model is suggested to explain the basic processes occurring during the shell growth on the TSL crystal structures.

Structural change and charge ordering correlated ultrasonic anomalies in La1-xCaxMnO3 (x=0.5,0.83) perovskite

NASA Astrophysics Data System (ADS)

Zheng, R. K.; Zhu, C. F.; Xie, J. Q.; Li, X. G.

2001-01-01

Ultrasonic sound velocity and attenuation have been measured in polycrystalline manganese oxide La1-xCaxMnO3 (x=0.5,0.83,1.0) at a frequency of 10 MHz. For x=0.5, on cooling down from high temperature, a slight softening of the sound velocity above the charge ordering transition temperature TCO and dramatic stiffening below TCO coincided with big attenuation peaks for both longitudinal and transverse waves were observed. It was found that these ultrasonic anomalies near TCO are correlated with the fine structure (i.e., the lattice parameters) change caused by the Jahn-Teller effect. For x=0.83, the sound velocity starts to soften dramatically with decreasing temperature from higher temperature to TS (180 K), and stiffens dramatically below TS. The large softening and stiffening of the sound velocity accompanied by a big attenuation peak are strongly correlated with a cubic-to-tetragonal structural phase transition at TS, which is confirmed by the low-temperature powder x-ray diffraction measurements. It is suggested that this structural phase transition be due to the Jahn-Teller distortion of the Mn3+O6 octahedra and related to the charge ordering transition. For CaMnO3, the anomaly in sound velocity is small.

Spin and lattice structures of single-crystalline SrFe2As2

NASA Astrophysics Data System (ADS)

Zhao, Jun; Ratcliff, W., II; Lynn, J. W.; Chen, G. F.; Luo, J. L.; Wang, N. L.; Hu, Jiangping; Dai, Pengcheng

2008-10-01

We use neutron scattering to study the spin and lattice structure of single-crystal SrFe2As2 , the parent compound of the FeAs-based superconductor (Sr,K)Fe2As2 . We find that SrFe2As2 exhibits an abrupt structural phase transition at 220 K, where the structure changes from tetragonal with lattice parameters c>a=b to orthorhombic with c>a>b . At almost the same temperature, Fe spins develop a collinear antiferromagnetic structure along the orthorhombic a axis with spin direction parallel to this a axis. These results are consistent with earlier work on the RFeAsO ( R=rare earth) families of materials and on BaFe2As2 , and therefore suggest that static antiferromagnetic order is ubiquitous for the parent compounds of these FeAs-based high-transition temperature superconductors.

Rapid thermal process by RF heating of nano-graphene layer/silicon substrate structure: Heat explosion theory approach

NASA Astrophysics Data System (ADS)

Sinder, M.; Pelleg, J.; Meerovich, V.; Sokolovsky, V.

2018-03-01

RF heating kinetics of a nano-graphene layer/silicon substrate structure is analyzed theoretically as a function of the thickness and sheet resistance of the graphene layer, the dimensions and thermal parameters of the structure, as well as of cooling conditions and of the amplitude and frequency of the applied RF magnetic field. It is shown that two regimes of the heating can be realized. The first one is characterized by heating of the structure up to a finite temperature determined by equilibrium between the dissipated loss power caused by induced eddy-currents and the heat transfer to environment. The second regime corresponds to a fast unlimited temperature increase (heat explosion). The criterions of realization of these regimes are presented in the analytical form. Using the criterions and literature data, it is shown the possibility of the heat explosion regime for a graphene layer/silicon substrate structure at RF heating.

Synthesis, crystal structure and electrical properties of (C5H13NCl)2 SnCl6

NASA Astrophysics Data System (ADS)

Rgaieg, R.; Karoui, K.; Zouari, R.

2017-10-01

In this work, a novel compound Bis(2-chloropropyl-N,N-dimethyl-1-ammonium) hexachloridostannate(IV) was synthesized and characterized by; single X-ray diffraction, Hirshfeld surface analysis, differential scanning calorimetric and dielectric measurement. The crystal structure refinement at room temperature reveled that this later belongs to the monoclinic compound with P21/n space group with the following unit cell parameters a = 7.2894(7) Å, b = 12.9351(12) Å, c = 12.2302(13) Å and β = 93.423 (6) °. The structure consists of isolated (SnCl6)2- octahedral anions connected together into layers via hydrogen bonds N-H….Cl between the chlorine atoms of the anions and the hydrogen atoms of the NH groups of the [C5H13NCl]+ cations. Hirschfeld surface analysis has been performed to gain insight into the behavior of these interactions. The differential scanning calorimetry spectrum discloses phase transitions at 367 and 376.7 K. The electrical properties of this compound have been measured in the temperature range 300-420 K and the frequency range 209 Hz-5 MHz. The Cole-Cole (Z‧ versus Z″) plots are well fitted to an equivalent circuit model. The transition phase observed in the calorimetric study is confirmed by the change as function of temperature of electrical parameter such as the conductivity of grain (σg) and the σdc.

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.

First-principles calculations for elastic properties of OsB 2 under pressure

NASA Astrophysics Data System (ADS)

Yang, Jun-Wei; Chen, Xiang-Rong; Luo, Fen; Ji, Guang-Fu

2009-11-01

The structure, elastic properties and elastic anisotropy of orthorhombic OsB 2 are investigated by density functional theory method with the ultrasoft pseudopotential scheme in the frame of the generalized gradient approximation (GGA) as well as local density approximation (LDA). The obtained structural parameters, elastic constants, elastic anisotropy and Debye temperature for OsB 2 under pressure are consistent with the available experimental data and other theoretical results. It is found that the elastic constants, bulk modulus and Debye temperature of OsB 2 tend to increase with increasing pressure. It is predicted that OsB 2 is not a superhard material from our calculations.

Effect of sintering on structure and magnetic properties of Mn-doped Zn ferrite

NASA Astrophysics Data System (ADS)

Farheen, Atiya; Singh, Rajender

2018-05-01

The Mn-doped zinc ferrites, MnxZn1-xFe2O4 (x= 0 and 0.1) were prepared using co-precipitation method. The as-prepared samples were sintered at different temperatures. The x-ray diffraction pattern for all the samples confirms single phase spinel structure with Fd-3m space group. The lattice parameters have been estimated using Rietveld fitting. The magnetic moment is found to increase with Mn-doping. The magnetization increases as the sintering temperature increases up to 1200°C. The as-prepared samples are super paramagnetic, while the sintered samples are ferrimagnetic in nature.

Scaling methane oxidation: From laboratory incubation experiments to landfill cover field conditions

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

Abichou, Tarek, E-mail: abichou@eng.fsu.edu; Mahieu, Koenraad; Chanton, Jeff

2011-05-15

Evaluating field-scale methane oxidation in landfill cover soils using numerical models is gaining interest in the solid waste industry as research has made it clear that methane oxidation in the field is a complex function of climatic conditions, soil type, cover design, and incoming flux of landfill gas from the waste mass. Numerical models can account for these parameters as they change with time and space under field conditions. In this study, we developed temperature, and water content correction factors for methane oxidation parameters. We also introduced a possible correction to account for the different soil structure under field conditions.more » These parameters were defined in laboratory incubation experiments performed on homogenized soil specimens and were used to predict the actual methane oxidation rates to be expected under field conditions. Water content and temperature corrections factors were obtained for the methane oxidation rate parameter to be used when modeling methane oxidation in the field. To predict in situ measured rates of methane with the model it was necessary to set the half saturation constant of methane and oxygen, K{sub m}, to 5%, approximately five times larger than laboratory measured values. We hypothesize that this discrepancy reflects differences in soil structure between homogenized soil conditions in the lab and actual aggregated soil structure in the field. When all of these correction factors were re-introduced into the oxidation module of our model, it was able to reproduce surface emissions (as measured by static flux chambers) and percent oxidation (as measured by stable isotope techniques) within the range measured in the field.« less

Investigation of the effects of melt electrospinning parameters on the direct-writing fiber size using orthogonal design

NASA Astrophysics Data System (ADS)

He, Feng-Li; He, Jin; Deng, Xudong; Li, Da-Wei; Ahmad, Fiaz; Liu, Yang-Yang; Liu, Ya-Li; Ye, Ya-Jing; Zhang, Chen-Yan; Yin, Da-Chuan

2017-10-01

Melt electrospinning is a complex process, and many of the processing parameters can impact the result of fiber formation. In this paper, we conducted a systematic investigation on the impacts of the melt electrospinning parameters (including temperature, needle gauge, flow rate and collector speed) on the fiber diameter via an orthogonal design experiment. The straight single fibers were fabricated using melt electrospinning in a direct-writing way with a diameter varied from 9.68  ±  0.93 µm to 48.55  ±  3.72 µm. The results showed that the fiber diameter changed differently against different parameters: when the temperature or needle gauge increased, the fiber diameter increased first and then decreased; when the flow rate increased, the fiber diameter decreased first and then increased; when the collector speed increased, the fiber diameter decreased monotonously. We also found that the collector speed was the most influential factor while the needle gauge was least important in determining the diameter of the fiber. Moreover, the feasibility of melt electrospinning in a direct-writing way as a novel 3D printing technology had been demonstrated by fabricating both uniform and controllable structures with high accuracy, based on the optimal parameters from the orthogonal experiments. The promising results indicated that melt electrospinning can be developed as a powerful technique for fabricating miniatured parts with high resolution and controllable structures for versatile potential applications.

Uniform Atmospheric Retrievals of Ultracool Late-T and Early-Y dwarfs

NASA Astrophysics Data System (ADS)

Garland, Ryan; Irwin, Patrick

2018-01-01

A significant number of ultracool (<600K) extrasolar objects have been unearthed in the past decade thanks to wide-field surveys such as WISE. These objects present a perfect testbed for examining the evolution of atmospheric structure as we transition from typically hot extrasolar temperatures to the temperatures found within our Solar System.By examining these types of objects with a uniform retrieval method, we hope to elucidate any trends and (dis)similarities found in atmospheric parameters, such as chemical abundances, temperature-pressure profile, and cloud structure, for a sample of 7 ultracool brown dwarfs as we transition from hotter (~700K) to colder objects (~450K).We perform atmospheric retrievals on two late-T and five early-Y dwarfs. We use the NEMESIS atmospheric retrieval code coupled to a Nested Sampling algorithm, along with a standard uniform model for all of our retrievals. The uniform model assumes the atmosphere is described by a gray radiative-convective temperature profile, (optionally) a self-consistent Mie scattering cloud, and a number of relevant gases. We first verify our methods by comparing it to a benchmark retrieval for Gliese 570D, which is found to be consistent. Furthermore, we present the retrieved gaseous composition, temperature structure, spectroscopic mass and radius, cloud structure and the trends associated with decreasing temperature found in this small sample of objects.

Unexpected Nonlinear Effects in Superconducting Transition-Edge Sensors

NASA Technical Reports Server (NTRS)

Sadleir, John

2016-01-01

When a normal metal transitions into the superconducting state the DC resistance drops from a finite value to zero over some finite transition width in temperature, current, and magnetic field. Superconducting transition-edge sensors (TESs) operate within this transition region and uses resistive changes to measure deposited thermal energy. This resistive transition is not perfectly smooth and a wide range of TES designs and materials show sub-structure in the resistive transition (as seen in smooth nonmonotonic behavior, jump discontinuities, and hysteresis in the devices current-voltage relation and derivatives of the resistance with respect to temperature, bias current, and magnetic field). TES technology has advanced to the point where for many applications this structure is the limiting factor in performance and optimization consists of finding operating points away from these structures. For example, operating at or near this structure can lead to nonlinearity in the detectors response and gain scale, limit the spectral range of the detector by limiting the usable resistive range, and degrade energy resolution. The origin of much of this substructure is unknown. This presentation investigates a number of possible sources in turn. First we model the TES as a superconducting weak-link and solve for the characteristic differential equations current and voltage time dependence. We find:(1) measured DC biased current-voltage relationship is the time-average of a much higher frequency limit cycle solution.(2) We calculate the fundamental frequency and estimate the power radiated from the TES treating the bias leads as an antennae.(3) The solution for a set of circuit parameters becomes multivalued leading to current transitions between levels.(4)The circuit parameters can change the measure resistance and mask the true critical current. As a consequence the TES resistance surface is not just a function of temperature, current, and magnetic field but is also a function of the circuit elements (such as shunt resistor, SQUID inductance, and capacitor values). In other words, same device measured in different electrical circuits will have a different resistive surface in temperature, current, and magnetic field. Next we consider that at the transition temperature of a superconductor both the magnetic penetration depth and coherence length are divergent. As a consequence these important characteristic length scales are changing with operating point. We present measurements on devices showing commensurate behavior between these characteristic lengths and the length scale of added normal metal structures. Reordering of proximity vortices leads to discontinuities and irreversibility of the current-voltage curves. Last we consider a weak-link TES including both thermal activated resistance effects and the effect of the magnetic penetration depth being a function of temperature and magnetic field. We derive its impact on the resistive transition surface and the important device parameters a and b.

Temperature-Dependent Modeling and Crosstalk Analysis in Mixed Carbon Nanotube Bundle Interconnects

NASA Astrophysics Data System (ADS)

Rai, Mayank Kumar; Garg, Harsh; Kaushik, B. K.

2017-08-01

The temperature-dependent circuit modeling and performance analysis in terms of crosstalk in capacitively coupled mixed carbon nanotube bundle (MCB) interconnects, at the far end of the victim line, have been analyzed with four different structures of MCBs (MCB-1, MCB-2, MCB-3 and MCB-4) constituted under case 1 and case 2 at the 22-nm technology node. The impact of tunneling and intershell coupling between adjacent shells on temperature-dependent equivalent circuit parameters of a multi-walled carbon nanotube bundle are also critically analyzed and employed for different MCB structures under case 1. A similar analysis is performed for copper interconnects and comparisons are made between results obtained through these analyses over temperatures ranging from 300 K to 500 K. The simulation program with integrated circuit emphasis simulation results reveals that, compared with all MCB structures under case 1 and case 2, with rise in temperature from 300 K to 500 K, crosstalk-induced noise voltage levels at the far end of the victim line are found to be significantly large in copper. It is also observed that due to the dominance of larger temperature-dependent resistance and ground capacitance in case 1, the MCB-2 is of lower crosstalk-induced noise voltage levels than other structures of MCBs. On the other hand, the MCB-1 has smaller time duration of victim output. Results further reveal that, compared with case 2 of MCB, with rise in temperatures, the victim line gets less prone to crosstalk-induced noise in MCB interconnects constituted under case 1, due to tunneling effects and intershell coupling between adjacent shells. Based on these comparative results, a promising MCB structure (MCB-2) has been proposed among other structures under the consideration of tunneling effects and intershell coupling (case 1).

Numerical Calculation and Exergy Equations of Spray Heat Exchanger Attached to a Main Fan Diffuser

NASA Astrophysics Data System (ADS)

Cui, H.; Wang, H.; Chen, S.

2015-04-01

In the present study, the energy depreciation rule of spray heat exchanger, which is attached to a main fan diffuser, is analyzed based on the second law of thermodynamics. Firstly, the exergy equations of the exchanger are deduced. The equations are numerically calculated by the fourth-order Runge-Kutta method, and the exergy destruction is quantitatively effected by the exchanger structure parameters, working fluid (polluted air, i.e., PA; sprayed water, i.e., SW) initial state parameters and the ambient reference parameters. The results are showed: (1) heat transfer is given priority to latent transfer at the bottom of the exchanger, and heat transfer of convection and is equivalent to that of condensation in the upper. (2) With the decrease of initial temperature of SW droplet, the decrease of PA velocity or the ambient reference temperature, and with the increase of a SW droplet size or initial PA temperature, exergy destruction both increase. (3) The exergy efficiency of the exchanger is 72.1 %. An approach to analyze the energy potential of the exchanger may be provided for engineering designs.

Exotic phases of frustrated antiferromagnet LiCu2O2

NASA Astrophysics Data System (ADS)

Bush, A. A.; Büttgen, N.; Gippius, A. A.; Horvatić, M.; Jeong, M.; Kraetschmer, W.; Marchenko, V. I.; Sakhratov, Yu. A.; Svistov, L. E.

2018-02-01

7Li NMR spectra were measured in a magnetic field up to 17 T at temperatures 5-30 K on single crystalline LiCu2O2 . Earlier reported anomalies on magnetization curves correspond to magnetic field values where we observe changes of the NMR spectral shape. For the interpretation of the field and temperature evolutions of our NMR spectra, the magnetic structures were analyzed in the frame of the phenomenological theoretical approach of the Dzyaloshinskii-Landau theory. A set of possible planar and collinear structures was obtained. Most of these structures have an unusual configuration; they are characterized by a two-component order parameter and their magnetic moments vary harmonically not only in direction, but also in size. From the modeling of the observed spectra, a possible scenario of magnetic structure transformations is obtained.

Synthesis of Hollow Sphere and 1D Structural Materials by Sol-Gel Process.

PubMed

Li, Fa-Liang; Zhang, Hai-Jun

2017-08-25

The sol-gel method is a simple and facile wet chemical process for fabricating advanced materials with high homogeneity, high purity, and excellent chemical reactivity at a relatively low temperature. By adjusting the processing parameters, the sol-gel technique can be used to prepare hollow sphere and 1D structural materials that exhibit a wide application in the fields of catalyst, drug or gene carriers, photoactive, sensors and Li-ion batteries. This feature article reviewed the development of the preparation of hollow sphere and 1D structural materials using the sol-gel method. The effects of calcination temperature, soaking time, pH value, surfactant, etc., on the preparation of hollow sphere and 1D structural materials were summarized, and their formation mechanisms were generalized. Finally, possible future research directions of the sol-gel technique were outlined.

Synthesis of Hollow Sphere and 1D Structural Materials by Sol-Gel Process

PubMed Central

Li, Fa-Liang; Zhang, Hai-Jun

2017-01-01

The sol-gel method is a simple and facile wet chemical process for fabricating advanced materials with high homogeneity, high purity, and excellent chemical reactivity at a relatively low temperature. By adjusting the processing parameters, the sol-gel technique can be used to prepare hollow sphere and 1D structural materials that exhibit a wide application in the fields of catalyst, drug or gene carriers, photoactive, sensors and Li-ion batteries. This feature article reviewed the development of the preparation of hollow sphere and 1D structural materials using the sol-gel method. The effects of calcination temperature, soaking time, pH value, surfactant, etc., on the preparation of hollow sphere and 1D structural materials were summarized, and their formation mechanisms were generalized. Finally, possible future research directions of the sol-gel technique were outlined. PMID:28841188

Protein Denaturation on p-T Axes--Thermodynamics and Analysis.

PubMed

Smeller, László

2015-01-01

Proteins are essential players in the vast majority of molecular level life processes. Since their structure is in most cases substantial for their correct function, study of their structural changes attracted great interest in the past decades. The three dimensional structure of proteins is influenced by several factors including temperature, pH, presence of chaotropic and cosmotropic agents, or presence of denaturants. Although pressure is an equally important thermodynamic parameter as temperature, pressure studies are considerably less frequent in the literature, probably due to the technical difficulties associated to the pressure studies. Although the first steps in the high-pressure protein study have been done 100 years ago with Bridgman's ground breaking work, the field was silent until the modern spectroscopic techniques allowed the characterization of the protein structural changes, while the protein was under pressure. Recently a number of proteins were studied under pressure, and complete pressure-temperature phase diagrams were determined for several of them. This review summarizes the thermodynamic background of the typical elliptic p-T phase diagram, its limitations and the possible reasons for deviations of the experimental diagrams from the theoretical one. Finally we show some examples of experimentally determined pressure-temperature phase diagrams.

Dimer formation and surface alloying: a STM study of lead on Cu(211)

NASA Astrophysics Data System (ADS)

Bartels, L.; Zöphel, S.; Meyer, G.; Henze, E.; Rieder, K.-H.

1997-02-01

We present a STM investigation of Pb adsorption on the Cu(211) surface in the temperature range between 30 K and room temperature. We observe three different kinds of ordered 1D Pb and PbCu chains (nanowires) located at the intrinsic step edges of the Cu(211) surface. On room temperature prepared samples, Pb is found to be incorporated into the step edges of the (211) surface. The first ordered structure consists of CuPb chains at the step edges (p(2 × disorder)) and is followed with increasing coverage by a close packed row of Pb-atoms (p(4 × disorder)). Preparation at low temperature yields Pb-dimers, and the first ordered structure is a row of Pb-dimers at the step edge (p(3 × disorder)) followed with increased coverage by a structure as described above. By systematic manipulation with the tunneling tip, we could get additional insight into the structural elements of the PbCu layer on the atomic scale. Furthermore, by measuring the threshold resistance to detach atoms from different ad-sites, we can approximately determine the binding energy and gain some insight into the thermodynamical parameters involved.

Higher order mode laser beam intensity fluctuations in strong oceanic turbulence

NASA Astrophysics Data System (ADS)

Baykal, Yahya

2017-05-01

Intensity fluctuations of the higher order mode laser beams are evaluated when these beams propagate in a medium exhibiting strong oceanic turbulence. Our formulation involves the modified Rytov solution that extends the Rytov solution to cover strong turbulence as well, and our recently reported expression that relates the atmospheric turbulence structure constant to the oceanic turbulence parameters and oceanic wireless optical communication link parameters. The variations of the intensity fluctuations are reported against the changes of the ratio of temperature to salinity contributions to the refractive index spectrum, rate of dissipation of kinetic energy per unit mass of fluid, rate of dissipation of mean-squared temperature, viscosity and the source size of the higher order mode laser beam. Our results indicate that under any oceanic turbulence parameters, it is advantageous to employ higher order laser modes in reducing the scintillation noise in wireless optical communication links operating in a strongly turbulent ocean.

Controlling the interparticle spacing of Au-salt loaded micelles and Au nanoparticles on flat surfaces.

PubMed

Bansmann, J; Kielbassa, S; Hoster, H; Weigl, F; Boyen, H G; Wiedwald, U; Ziemann, P; Behm, R J

2007-09-25

The self-organization of diblock copolymers into micellar structures in an appropriate solvent allows the deposition of well ordered arrays of pure metal and alloy nanoparticles on flat surfaces with narrow distributions in particle size and interparticle spacing. Here we investigated the influence of the materials (substrate and polymer) and deposition parameters (temperature and emersion velocity) on the deposition of metal salt loaded micelles by dip-coating from solution and on the order and inter-particle spacing of the micellar deposits and thus of the metal nanoparticle arrays resulting after plasma removal of the polymer shell. For identical substrate and polymer, variation of the process parameters temperature and emersion velocity enables the controlled modification of the interparticle distance within a certain length regime. Moreover, also the degree of hexagonal order of the final array depends sensitively on these parameters.

Modeling Far-UV Fluorescent Emission Features of Warm Molecular Hydrogen in the Inner Regions of Protoplanetary Disks

NASA Astrophysics Data System (ADS)

Hoadley, Keri; France, Kevin

2015-01-01

Probing the surviving molecular gas within the inner regions of protoplanetary disks (PPDs) around T Tauri stars (1 - 10 Myr) provides insight into the conditions in which planet formation and migration occurs while the gas disk is still present. We model observed far ultraviolet (FUV) molecular hydrogen (H₂) fluorescent emission lines that originate within the inner regions (< 10 AU) of 9 well-studied Classic T Tauri stars, using the Hubble Space Telescope Cosmic Origins Spectrograph (COS), to explore the physical structure of the molecular disk at different PPD dust evolutionary stages. We created a 2D radiative transfer model that estimates the density and temperature distributions of warm, inner radial H₂ (T > 1500 K) with a set of 6 free parameters and produces a data cube of expected emission line profiles that describe the physical structure of the inner molecular disk atmosphere. By comparing the modeled emission lines with COS H₂ fluorescence emission features, we estimate the physical structure of the molecular disk atmosphere for each target with the set of free parameters that best replicate the observed lines. First results suggest that, for all dust evolutionary stages of disks considered, ground-state H₂ populations are described by a roughly constant temperature T(H₂) = 2500 +/- 1000 K. Possible evolution of the density structure of the H₂ atmosphere between intact and depleting dust disks may be distinguishable, but large errors in the inferred best-fit parameter sets prevent us from making this conclusion. Further improvements to the modeling framework and statistical comparison in determining the best-fit model-to-data parameter sets are ongoing, beginning with improvements to the radiative transfer model and use of up-to-date HI Lyman α absorption optical depths (see McJunkin in posters) to better estimate disk structural parameters. Once improvements are implemented, we will investigate the possible presence of a molecular wind component in the observed H₂ fluorescence features by determining blue-shifted flux residuals in the data after best-fit model-to-data comparisons are complete.

Dynamical properties in supercooling liquid of trehalose aqueous solution studied by Brillouin scattering

NASA Astrophysics Data System (ADS)

Shibata, Tomohiko; Tominaga, Ayane; Takayama, Haruki; Kojima, Seiji

2013-02-01

Brillouin scattering spectroscopy has been applied to study the dynamical properties of glass transition of trehalose aqueous solutions in a high-frequency gigahertz range and in the temperature range (-190°C ≤ T ≤ 100°C). The temperature variations of sound velocity and attenuation were accurately determined using the refractive index measured by a prism-coupling method. The temperature dependence of relaxation time of the structural relaxation process was determined by the Debye model. Its temperature dependence shows Arrhenius behavior in a liquid state. The parameters of Arrhenius law were also determined as a function of trehalose concentration.

Fermionic spectral functions in backreacting p-wave superconductors at finite temperature

NASA Astrophysics Data System (ADS)

Giordano, G. L.; Grandi, N. E.; Lugo, A. R.

2017-04-01

We investigate the spectral function of fermions in a p-wave superconducting state, at finite both temperature and gravitational coupling, using the AdS/CF T correspondence and extending previous research. We found that, for any coupling below a critical value, the system behaves as its zero temperature limit. By increasing the coupling, the "peak-dip-hump" structure that characterizes the spectral function at fixed momenta disappears. In the region where the normal/superconductor phase transition is first order, the presence of a non-zero order parameter is reflected in the absence of rotational symmetry in the fermionic spectral function at the critical temperature.

Structure and Thermal Expansion of YSZ and La 2Zr 2O 7 Above 1500°C from Neutron Diffraction on Levitated Samples

DOE PAGES

Ushakov, Sergey V.; Navrotsky, Alexandra; Weber, Richard J. K.; ...

2015-07-28

High-temperature time-of-flight neutron diffraction experiments were performed in this paper on cubic yttria-stabilized zirconia (YSZ, 10 mol% YO 1.5) and lanthanum zirconate (LZ) prepared by laser melting. Three spheroids of each composition were aerodynamically levitated and rotated in argon flow and heated with a CO 2 laser. Unit cell, positional and atomic displacement parameters were obtained by Rietveld analysis. Below ~1650°C the mean thermal expansion coefficient (TEC) for YSZ is higher than for LZ (13 ± 1 vs. 10.3 ± 0.6) × 10 -6/K. From ~1650°C to the onset of melting of LZ at ~2250°C, TEC for YSZ and LZmore » are similar and within (7 ± 2) × 10 -6/K. LZ retains the pyrochlore structure up to the melting temperature with Zr coordination becoming closer to perfectly octahedral. Congruently melting LZ is La deficient. The occurrence of thermal disordering of oxygen sublattice (Bredig transition) in defect fluorite structure was deduced from the rise in YSZ TEC to ~25 × 10 -6/K at 2350°C–2550°C with oxygen displacement parameters (U iso) reaching 0.1 Å 2, similar to behavior observed in UO 2. Acquisition of powder-like high-temperature neutron diffraction data from solid-levitated samples is feasible and possible improvements are outlined. Finally, this methodology should be applicable to a wide range of materials for high-temperature applications.« less

Size dependent structural and magnetic properties of Al substituted Co–Mg ferrites synthesized by the sol–gel auto-combustion method

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

Ahmad, Imran, E-mail: imraan77@yahoo.com; Abbas, Tahir; Ziya, A.B.

2014-04-01

Highlights: • Well-crystalline Co{sub 0.7}Mg{sub 0.3}AlFeO{sub 4} nanoparticles with small grain size were obtained. • The approach is sol–gel auto-combustion technique for obtained nanoparticles. • The prepared Co{sub 0.7}Mg{sub 0.3}AlFeO{sub 4} ferrites are decent soft materials with low coercivity. • The minor decrease in lattice parameter with increase of temperature was observed. - Abstract: Single phased nanocrystalline Co{sub 0.7}Mg{sub 0.3}FeAlO{sub 4} ferrites having low coercivity were synthesized by the sol–gel auto-combustion route. The subsequent powder materials were sintered in a temperature range of 800–1200 °C for 2 h. The effects of sintering temperatures on the structure, morphology and magnetic propertiesmore » of the prepared soft magnetic material were studied. X-ray diffractometer (XRD), scanning electron microscope (SEM), transmission electron microscope (TEM), and magnetic property measurement system (MPMS) were used to characterize the samples. X-ray diffraction analysis confirmed a single-phase cubic spinel structure and ruled out the presence of impurities like hematite. The higher sintering temperatures have caused in enhanced mark of crystallinity and bigger average grain size of the nanocrystals. A slight decrease in lattice parameters was noticed with a rise of grain size. Magnetic measurements revealed that grain size increase led to a decrease in the coercivity and, in difference, an increase in the saturation magnetization.« less

The electrical and dielectric properties of the Au/Ti/HfO2/n-GaAs structures

NASA Astrophysics Data System (ADS)

Karabulut, Abdulkerim; Türüt, Abdulmecit; Karataş, Şükrü

2018-04-01

In this work, temperature dependent electrical and dielectric properties of the Au/Ti/HfO2/n-GaAs structures were investigated using capacitance-voltage (C-V) and conductance-voltage (G-V) measurements in the temperature range of 60-320 K by steps of 20 K at 1 MHz. The dielectric constant (ε‧), dielectric loss (ε″), dielectric loss tangent (tanδ) and ac electrical conductivities (σac) have been calculated as a function of temperature. These values of the ε‧, ε″, tanδ and σac have been found to be 2.272, 5.981, 2.631 and 3.32 × 10-6 (Ω-1cm-1) at 80 K, respectively, 1.779, 2.315, 1.301 and 1.28 × 10-6 (Ω-1cm-1), respectively at 320 K. These decrease of the dielectric parameters (ε‧, ε″, tanδ and σac) have been observed at high temperatures. The experimental results show that electrical and dielectric properties are strongly temperature and bias voltage dependent.

A low-temperature polymorph of m-quinquephenyl.

PubMed

Gomes, Ligia R; Howie, R Alan; Low, John Nicolson; Rodrigues, Ana S M C; Santos, Luís M N B F

2012-12-01

A low-temperature polymorph of 1,1':3',1'':3'',1''':3''',1''''-quinquephenyl (m-quinquephenyl), C(30)H(22), crystallizes in the space group P2(1)/c with two molecules in the asymmetric unit. The crystal is a three-component nonmerohedral twin. A previously reported room-temperature polymorph [Rabideau, Sygula, Dhar & Fronczek (1993). Chem. Commun. pp. 1795-1797] also crystallizes with two molecules in the asymmetric unit in the space group P-1. The unit-cell volume for the low-temperature polymorph is 4120.5 (4) Å(3), almost twice that of the room-temperature polymorph which is 2102.3 (6) Å(3). The molecules in both structures adopt a U-shaped conformation with similar geometric parameters. The structural packing is similar in both compounds, with the molecules lying in layers which stack perpendicular to the longest unit-cell axis. The molecules pack alternately in the layers and in the stacked columns. In both polymorphs, the only interactions between the molecules which can stabilize the packing are very weak C-H...π interactions.

Bayes-Turchin analysis of x-ray absorption data above the Fe L{sub 2,3}-edges

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

Rossner, H. H.; Schmitz, D.; Imperia, P.

2006-10-01

Extended x-ray absorption fine structure (EXAFS) data and magnetic EXAFS (MEXAFS) data were measured at two temperatures (180 and 296 K) in the energy region of the overlapping L-edges of bcc Fe grown on a V(110) crystal surface. In combination with a Bayes-Turchin data analysis procedure these measurements enable the exploration of local crystallographic and magnetic structures. The analysis determined the atomic-like background together with the EXAFS parameters which consisted of ten shell radii, the Debye-Waller parameters, separated into structural and vibrational components, and the third cumulant of the first scattering path. The vibrational components for 97 different scattering pathsmore » were determined by a two parameter force-field model using a priori values adjusted to Born-von Karman parameters of inelastic neutron scattering data. The investigations of the system Fe/V(110) demonstrate that the simultaneous fitting of atomic background parameters and EXAFS parameters can be performed reliably. Using the L{sub 2}- and L{sub 3}-components extracted from the EXAFS analysis and the rigid-band model, the MEXAFS oscillations can only be described when the sign of the exchange energy is changed compared to the predictions of the Hedin Lundquist exchange and correlation functional.« less

Noise, gain, and capture probability of p-type InAs-GaAs quantum-dot and quantum dot-in-well infrared photodetectors

NASA Astrophysics Data System (ADS)

Wolde, Seyoum; Lao, Yan-Feng; Unil Perera, A. G.; Zhang, Y. H.; Wang, T. M.; Kim, J. O.; Schuler-Sandy, Ted; Tian, Zhao-Bing; Krishna, S.

2017-06-01

We report experimental results showing how the noise in a Quantum-Dot Infrared photodetector (QDIP) and Quantum Dot-in-a-well (DWELL) varies with the electric field and temperature. At lower temperatures (below ˜100 K), the noise current of both types of detectors is dominated by generation-recombination (G-R) noise which is consistent with a mechanism of fluctuations driven by the electric field and thermal noise. The noise gain, capture probability, and carrier life time for bound-to-continuum or quasi-bound transitions in DWELL and QDIP structures are discussed. The capture probability of DWELL is found to be more than two times higher than the corresponding QDIP. Based on the analysis, structural parameters such as the numbers of active layers, the surface density of QDs, and the carrier capture or relaxation rate, type of material, and electric field are some of the optimization parameters identified to improve the gain of devices.

Impact of Parameter Variation in Fabrication of Nanostructure by Atomic Force Microscopy Nanolithography

PubMed Central

Dehzangi, Arash; Larki, Farhad; Hutagalung, Sabar D.; Goodarz Naseri, Mahmood; Majlis, Burhanuddin Y.; Navasery, Manizheh; Hamid, Norihan Abdul; Noor, Mimiwaty Mohd

2013-01-01

In this letter, we investigate the fabrication of Silicon nanostructure patterned on lightly doped (1015 cm−3) p-type silicon-on-insulator by atomic force microscope nanolithography technique. The local anodic oxidation followed by two wet etching steps, potassium hydroxide etching for silicon removal and hydrofluoric etching for oxide removal, are implemented to reach the structures. The impact of contributing parameters in oxidation such as tip materials, applying voltage on the tip, relative humidity and exposure time are studied. The effect of the etchant concentration (10% to 30% wt) of potassium hydroxide and its mixture with isopropyl alcohol (10%vol. IPA ) at different temperatures on silicon surface are expressed. For different KOH concentrations, the effect of etching with the IPA admixture and the effect of the immersing time in the etching process on the structure are investigated. The etching processes are accurately optimized by 30%wt. KOH +10%vol. IPA in appropriate time, temperature, and humidity. PMID:23776479

Removable polytetrafluoroethylene template based epitaxy of ferroelectric copolymer thin films

NASA Astrophysics Data System (ADS)

Xia, Wei; Chen, Qiusong; Zhang, Jian; Wang, Hui; Cheng, Qian; Jiang, Yulong; Zhu, Guodong

2018-04-01

In recent years ferroelectric polymers have shown their great potentials in organic and flexible electronics. To meet the requirements of high-performance and low energy consumption of novel electronic devices and systems, structural and electrical properties of ferroelectric polymer thin films are expected to be further optimized. One possible way is to realize epitaxial growth of ferroelectric thin films via removable high-ordered polytetrafluoroethylene (PTFE) templates. Here two key parameters in epitaxy process, annealing temperature and applied pressure, are systematically studied and thus optimized through structural and electrical measurements of ferroelectric copolymer thin films. Experimental results indicate that controlled epitaxial growth is realized via suitable combination of both parameters. Annealing temperature above the melting point of ferroelectric copolymer films is required, and simultaneously moderate pressure (around 2.0 MPa here) should be applied. Over-low pressure (around 1.0 MPa here) usually results in the failure of epitaxy process, while over-high pressure (around 3.0 MPa here) often results in residual of PTFE templates on ferroelectric thin films.

Microclimatic effects of planted hydroponic structures in urban environment: measurements and simulations

NASA Astrophysics Data System (ADS)

Katsoulas, N.; Antoniadis, D.; Tsirogiannis, I. L.; Labraki, E.; Bartzanas, T.; Kittas, C.

2017-05-01

The objectives of this effort was to study the effect of vertical (green wall) and horizontal (pergola) green structures on the microclimate conditions of the building surroundings and estimate the thermal perception and heat stress conditions near the two structures. The experimental data were used to validate the results simulated by the recent version (V4.0 preview III) of ENVI-met software which was used to simulate the effect of different design parameters of a pergola and a green façade on microclimate and heat stress conditions. Further aim is to use these results for better design of green structures. The microclimate measurements were carried out in real scale structures (hydroponic pergola and hydroponic green wall) at the Kostakii Campus of the Technological Education Institute of Epirus (Arta, Greece). The validation results showed a very good agreement between measured and simulated values of air temperature, with Tair,sim = 0.98 Tair,meas in the Empty atrium and Tair,sim = 0.99 Tair,meas in the Atrium with pergola, with a determination coefficient R 2 of 0.98 and 0.93, respectively. The model was used to predict the effects of green structures on air temperature (Tair), relative humidity (RH), and mean radiant temperature (Tmrt). The output values of these parameters were used as input data in the RayMan pro (V 2.1) model for estimating the physiologically equivalent temperature (PET) of different case scenarios. The average daytime value of simulated air temperature in the atrium for the case without and with pergola during three different days was 29.2 and 28.9 °C while the corresponding measured values were 29.7 and 29.2 °C. The results showed that compared to the case with no pergola in the atrium, covering 100% the atrium area with a planted pergola reduced at the hottest part of the day Tmrt and PET values by 29.4 and 17.9 °C, respectively. Although the values of air temperature (measured and simulated) were not greatly affected by the presence of a green wall, the most important effect of green wall to the building wall is the reduction of solar radiation behind the green wall. This reduction leads to a significant reduction (about 8 °C) of building surface temperature behind the green wall and accordingly to a reduction of the energy load of the building.

Effect of q-nonextensive parameter and saturation time on electron density steepening in electron-positron-ion plasmas

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

Hashemzadeh, M., E-mail: hashemzade@gmail.com

2015-11-15

The effect of q-nonextensive parameter and saturation time on the electron density steepening in electron-positron-ion plasmas is studied by particle in cell method. Phase space diagrams show that the size of the holes, and consequently, the number of trapped particles strongly depends on the q-parameter and saturation time. Furthermore, the mechanism of the instability and exchange of energy between electron-positron and electric field is explained by the profiles of the energy density. Moreover, it is found that the q-parameter, saturation time, and electron and positron velocities affect the nonlinear evolution of the electron density which leads to the steepening ofmore » its structure. The q-nonextensive parameter or degree of nonextensivity is the relation between temperature gradient and potential energy of the system. Therefore, the deviation of q-parameter from unity indicates the degree of inhomogeneity of temperature or deviation from equilibrium. Finally, using the kinetic theory, a generalized q-dispersion relation is presented for electron-positron-ion plasma systems. It is found that the simulation results in the linear regime are in good agreement with the growth rate results obtained by the kinetic theory.« less

Tack Measurements of Prepreg Tape at Variable Temperature and Humidity

NASA Technical Reports Server (NTRS)

Wohl, Christopher; Palmieri, Frank L.; Forghani, Alireza; Hickmott, Curtis; Bedayat, Houman; Coxon, Brian; Poursartip, Anoush; Grimsley, Brian

2017-01-01

NASA’s Advanced Composites Project has established the goal of achieving a 30 percent reduction in the timeline for certification of primary composite structures for application on commercial aircraft. Prepreg tack is one of several critical parameters affecting composite manufacturing by automated fiber placement (AFP). Tack plays a central role in the prevention of wrinkles and puckers that can occur during AFP, thus knowledge of tack variation arising from a myriad of manufacturing and environmental conditions is imperative for the prediction of defects during AFP. A full design of experiments was performed to experimentally characterize tack on 0.25-inch slit-tape tow IM7/8552-1 prepreg using probe tack testing. Several process parameters (contact force, contact time, retraction speed, and probe diameter) as well as environmental parameters (temperature and humidity) were varied such that the entire parameter space could be efficiently evaluated. Mid-point experimental conditions (i.e., parameters not at either extrema) were included to enable prediction of curvature in relationships and repeat measurements were performed to characterize experimental error. Collectively, these experiments enable determination of primary dependencies as well as multi-parameter relationships. Slit-tape tow samples were mounted to the bottom plate of a rheometer parallel plate fixture using a jig to prevent modification of the active area to be interrogated with the top plate, a polished stainless steel probe, during tack testing. The probe surface was slowly brought into contact with the pre-preg surface until a pre-determined normal force was achieved (2-30 newtons). After a specified dwell time (0.02-10 seconds), during which the probe substrate interaction was maintained under displacement control, the probe was retracted from the surface (0.1-50 millimeters per second). Initial results indicated a clear dependence of tack strength on several parameters, with a particularly strong dependence on temperature and humidity. Although an increase in either of these parameters reduces tack strength, a maximum in tack was predicted to occur under conditions of low temperature and moderate humidity.

A Knowledge Database on Thermal Control in Manufacturing Processes

NASA Astrophysics Data System (ADS)

Hirasawa, Shigeki; Satoh, Isao

A prototype version of a knowledge database on thermal control in manufacturing processes, specifically, molding, semiconductor manufacturing, and micro-scale manufacturing has been developed. The knowledge database has search functions for technical data, evaluated benchmark data, academic papers, and patents. The database also displays trends and future roadmaps for research topics. It has quick-calculation functions for basic design. This paper summarizes present research topics and future research on thermal control in manufacturing engineering to collate the information to the knowledge database. In the molding process, the initial mold and melt temperatures are very important parameters. In addition, thermal control is related to many semiconductor processes, and the main parameter is temperature variation in wafers. Accurate in-situ temperature measurment of wafers is important. And many technologies are being developed to manufacture micro-structures. Accordingly, the knowledge database will help further advance these technologies.

Glass Formation of n-Butanol: Coarse-grained Molecular Dynamics Simulations Using Gay-Berne Potential Model

NASA Astrophysics Data System (ADS)

Xie, Gui-long; Zhang, Yong-hong; Huang, Shi-ping

2012-04-01

Using coarse-grained molecular dynamics simulations based on Gay-Berne potential model, we have simulated the cooling process of liquid n-butanol. A new set of GB parameters are obtained by fitting the results of density functional theory calculations. The simulations are carried out in the range of 290-50 K with temperature decrements of 10 K. The cooling characteristics are determined on the basis of the variations of the density, the potential energy and orientational order parameter with temperature, whose slopes all show discontinuity. Both the radial distribution function curves and the second-rank orientational correlation function curves exhibit splitting in the second peak. Using the discontinuous change of these thermodynamic and structure properties, we obtain the glass transition at an estimate of temperature Tg=120±10 K, which is in good agreement with experimental results 110±1 K.

Simultaneous estimation of plasma parameters from spectroscopic data of neutral helium using least square fitting of CR-model

NASA Astrophysics Data System (ADS)

Jain, Jalaj; Prakash, Ram; Vyas, Gheesa Lal; Pal, Udit Narayan; Chowdhuri, Malay Bikas; Manchanda, Ranjana; Halder, Nilanjan; Choyal, Yaduvendra

2015-12-01

In the present work an effort has been made to estimate the plasma parameters simultaneously like—electron density, electron temperature, ground state atom density, ground state ion density and metastable state density from the observed visible spectra of penning plasma discharge (PPD) source using least square fitting. The analysis is performed for the prominently observed neutral helium lines. The atomic data and analysis structure (ADAS) database is used to provide the required collisional-radiative (CR) photon emissivity coefficients (PECs) values under the optical thin plasma condition in the analysis. With this condition the estimated plasma temperature from the PPD is found rather high. It is seen that the inclusion of opacity in the observed spectral lines through PECs and addition of diffusion of neutrals and metastable state species in the CR-model code analysis improves the electron temperature estimation in the simultaneous measurement.

Evolution of structural and transport properties in Y-doped double perovskite Sr2FeIrO6

NASA Astrophysics Data System (ADS)

Kharkwal, K. C.; Pramanik, A. K.

2018-05-01

The structural and transport properties of Yttrium doped double perovskite Sr2FeIrO6 have been investigated. Structural properties have been investigated by means of x-ray diffraction measurement and Rietveld analysis. Structural transition has not been observed although lattice parameters evolve with the Yttrium doping. All samples have been found to be insulating over the whole temperature range where the resistivity increases with doping. This increase in resistivity with doping may be due to the change in charge state of transition metal.

Room-temperature electron spin relaxation of nitroxides immobilized in trehalose: Effect of substituents adjacent to NO-group

NASA Astrophysics Data System (ADS)

Kuzhelev, Andrey A.; Strizhakov, Rodion K.; Krumkacheva, Olesya A.; Polienko, Yuliya F.; Morozov, Denis A.; Shevelev, Georgiy Yu.; Pyshnyi, Dmitrii V.; Kirilyuk, Igor A.; Fedin, Matvey V.; Bagryanskaya, Elena G.

2016-05-01

Trehalose has been recently promoted as efficient immobilizer of biomolecules for room-temperature EPR studies, including distance measurements between attached nitroxide spin labels. Generally, the structure of nitroxide influences the electron spin relaxation times, being crucial parameters for room-temperature pulse EPR measurements. Therefore, in this work we investigated a series of nitroxides with different substituents adjacent to NO-moiety including spirocyclohexane, spirocyclopentane, tetraethyl and tetramethyl groups. Electron spin relaxation times (T1, Tm) of these radicals immobilized in trehalose were measured at room temperature at X- and Q-bands (9/34 GHz). In addition, a comparison was made with the corresponding relaxation times in nitroxide-labeled DNA immobilized in trehalose. In all cases phase memory times Tm were close to 700 ns and did not essentially depend on structure of substituents. Comparison of temperature dependences of Tm at T = 80-300 K shows that the benefit of spirocyclohexane substituents well-known at medium temperatures (∼100-180 K) becomes negligible at 300 K. Therefore, unless there are specific interactions between spin labels and biomolecules, the room-temperature value of Tm in trehalose is weakly dependent on the structure of substituents adjacent to NO-moiety of nitroxide. The issues of specific interactions and stability of nitroxide labels in biological media might be more important for room temperature pulsed dipolar EPR than differences in intrinsic spin relaxation of radicals.

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

Bugaris, Daniel E.; Malliakas, Christos D.; Han, Fei

A new polymorph of the RE 2Ru 3Ge 5 (RE = Pr, Sm, Dy) compounds has been grown as single crystals via an indium flux. These compounds crystallize in tetragonal space group P4/mnc with the Sc 2Fe 3Si 5-type structure, having lattice parameters a = 11.020(2) Å and c = 5.853(1) Å for RE = Pr, a = 10.982(2) Å and c = 5.777(1) Å for RE = Sm, and a = 10.927(2) Å and c = 5.697(1) Å for RE = Dy. These materials exhibit a structural transition at low temperature, which is attributed to an apparent charge densitymore » wave (CDW). Both the high-temperature average crystal structure and the low-temperature incommensurately modulated crystal structure (for Sm 2Ru 3Ge 5 as a representative) have been solved. The charge density wave order is manifested by periodic distortions of the onedimensional zigzag Ge chains. From X-ray diffraction, charge transport (electrical resistivity, Hall effect, magnetoresistance), magnetic measurements, and heat capacity, the ordering temperatures (T CDW) observed in the Pr and Sm analogues are ~200 and ~175 K, respectively. The charge transport measurement results indicate an electronic state transition happening simultaneously with the CDW transition. X-ray absorption near-edge spectroscopy (XANES) and electronic band structure results are also reported.« less

Dust acoustic shock waves in magnetized dusty plasma

NASA Astrophysics Data System (ADS)

Yashika, GHAI; Nimardeep, KAUR; Kuldeep, SINGH; N, S. SAINI

2018-07-01

We have presented a theoretical study of the dust acoustic (DA) shock structures in a magnetized, electron depleted dusty plasma in the presence of two temperature superthermal ions. By deriving a Korteweg–de Vries–Burgers equation and studying its shock solution, we aim to highlight the effects of magnetic field and obliqueness on various properties of the DA shock structures in the presence of kappa-distributed two temperature ion population. The present model is motivated by the observations of Geotail spacecraft in the Earth's magnetotail and it is seen that the different physical parameters such as superthermality of the cold and hot ions, the cold to hot ion temperature ratio, the magnetic field strength, obliqueness and the dust kinematic viscosity greatly influence the dynamics of the shock structures so formed. The results suggest that the variation of superthermalities of the cold and hot ions have contrasting effects on both positive and negative polarity shock structures. Moreover, it is noted that the presence of the ambient magnetic field affects the dispersive properties of the medium and tends to make the shock structures less wide and more abrupt. The findings of present investigation may be useful in understanding the dynamics of shock waves in dusty plasma environments containing two temperature ions where the electrons are significantly depleted.

Peculiarities of Thermal Treatment of Monolithic Reinforced Concrete Structures

NASA Astrophysics Data System (ADS)

Kuchin, V. N.; Shilonosova, N. V.

2017-11-01

A mathematical program has been developed that allows one to determine the parameters of heat treatment of monolithic structures. One of the quality indicators of monolithic reinforced concrete structures is the level of temperature stresses arising in the process of heat treatment and further operation of structures. In winter at heat treatment the distribution of temperatures along the cross-section of the structure is uneven. A favorable thermo-stressed state in a concrete massif occurs when using the preheating method, providing the concrete temperature in the center of the structure is greater than at the periphery. In this case, after the strength is set and the temperature is later equalized along the cross-section, the central part of the structure tends to decrease its dimensions more but the extreme zones prevent it. Therefore, the center is in a state of tension, and the extreme zones on the periphery are compressed. In compressed concrete there is a lesser chance of cracks or defects. The temperature gradient over the section of the structure, the stress in the concrete and its strength are determined. When calculating the temperature and strength fields, the stress level was determined - a value equal to the ratio of the tensile stresses in the section under consideration to the tensile strength of the concrete in this section at the same time. The nature of the change in stress level is determined by the massive structure and power of the formwork heaters. It is shown that under unfavorable conditions the stress level is close to the critical value. The greatest temperature gradient occurs in the outer layers adjacent to the heating formwork. A technology for concrete conditioning is proposed which makes it possible to reduce the temperature stresses along the cross-section of the structure. The time for concrete conditioning in the formwork is reduced. In its turn, it further reduces labor costs and the cost of concrete work along with the cost of heat treatment. The authors conduct the technical and economic comparison of heat treatment options for the structures. The duration of monolithic structures erection with the use of combined heat treatment decreases in comparison with the method of peripheral heating. The economic effect consists of the reduction of the cost to organize and perform temperature control, insulation, electricity.

Investigation of pouring temperature and holding time for semisolid metal feedstock production

NASA Astrophysics Data System (ADS)

Razak, N. A.; Ahmad, A. H.; Rashidi, M. M.

2017-10-01

Semisolid metal (SSM) processing, as a kind of new technology that exploits forming of alloys between solidus and liquidus temperatures, has attracted great attention from investigators for its thixotropic behaviour as well as having advantages in reducing porosity, macrosegregation, and forming forces during shaping process. Various techniques are employed to produce feedstock with fine globular microstructures, and direct thermal method is one of them. In this paper, the effect from different pouring temperatures and holding times using a direct thermal method on microstructure and hardness of aluminium alloy 6061 is presented. Molten aluminium alloy 6061 was poured into a cylindrical copper mould and cooled down to the semisolid temperature before being quenched in water at room temperature. The effect of different pouring temperatures of 660 °C, 680 °C, 700 °C, and holding time of 20 s, and 60 s on the microstructure of aluminium alloy 6061 were investigated. From the micrographs, it was found that the most globular structures were achieved at processing parameters of 660 °C pouring temperature and 60 s holding time. The highest density and hardness of the samples were found at the same processing parameters. It can be concluded that the most spheroidal microstructure, the highest density, and the hardness were recorded at lower pouring temperature and longer holding time.

Modeling and Compensating Temperature-Dependent Non-Uniformity Noise in IR Microbolometer Cameras

PubMed Central

Wolf, Alejandro; Pezoa, Jorge E.; Figueroa, Miguel

2016-01-01

Images rendered by uncooled microbolometer-based infrared (IR) cameras are severely degraded by the spatial non-uniformity (NU) noise. The NU noise imposes a fixed-pattern over the true images, and the intensity of the pattern changes with time due to the temperature instability of such cameras. In this paper, we present a novel model and a compensation algorithm for the spatial NU noise and its temperature-dependent variations. The model separates the NU noise into two components: a constant term, which corresponds to a set of NU parameters determining the spatial structure of the noise, and a dynamic term, which scales linearly with the fluctuations of the temperature surrounding the array of microbolometers. We use a black-body radiator and samples of the temperature surrounding the IR array to offline characterize both the constant and the temperature-dependent NU noise parameters. Next, the temperature-dependent variations are estimated online using both a spatially uniform Hammerstein-Wiener estimator and a pixelwise least mean squares (LMS) estimator. We compensate for the NU noise in IR images from two long-wave IR cameras. Results show an excellent NU correction performance and a root mean square error of less than 0.25 ∘C, when the array’s temperature varies by approximately 15 ∘C. PMID:27447637

Optical parameters of ITO/TPD/Alq3/Al luminescent structures, containing arrays of CdSe/ZnS colloidal quantum dots

NASA Astrophysics Data System (ADS)

Mikhailov, I. I.; Tarasov, S. A.; Lamkin, I. A.; Tadtaev, P. O.; Kozlovich, L. I.; Solomonov, A. V.; Stepanov, E. M.

2016-08-01

The luminescent organic ITO/TPD/Alq3/Al structures and CdSe/ZnS quantum dots (QD) arrays were created. Electrical and optical properties of the samples were examined. The luminescence of the layers and QD arrays was shown in the range of wavelengths from 400 to 680 nm. Luminescent structures with phosphors corresponding to the emission standards with CRI>98 and with color temperature of 5500 K and 6504 K were created.

Mapping Curie temperature depth in the western United States with a fractal model for crustal magnetization

USGS Publications Warehouse

Bouligand, C.; Glen, J.M.G.; Blakely, R.J.

2009-01-01

We have revisited the problem of mapping depth to the Curie temperature isotherm from magnetic anomalies in an attempt to provide a measure of crustal temperatures in the western United States. Such methods are based on the estimation of the depth to the bottom of magnetic sources, which is assumed to correspond to the temperature at which rocks lose their spontaneous magnetization. In this study, we test and apply a method based on the spectral analysis of magnetic anomalies. Early spectral analysis methods assumed that crustal magnetization is a completely uncorrelated function of position. Our method incorporates a more realistic representation where magnetization has a fractal distribution defined by three independent parameters: the depths to the top and bottom of magnetic sources and a fractal parameter related to the geology. The predictions of this model are compatible with radial power spectra obtained from aeromagnetic data in the western United States. Model parameters are mapped by estimating their value within a sliding window swept over the study area. The method works well on synthetic data sets when one of the three parameters is specified in advance. The application of this method to western United States magnetic compilations, assuming a constant fractal parameter, allowed us to detect robust long-wavelength variations in the depth to the bottom of magnetic sources. Depending on the geologic and geophysical context, these features may result from variations in depth to the Curie temperature isotherm, depth to the mantle, depth to the base of volcanic rocks, or geologic settings that affect the value of the fractal parameter. Depth to the bottom of magnetic sources shows several features correlated with prominent heat flow anomalies. It also shows some features absent in the map of heat flow. Independent geophysical and geologic data sets are examined to determine their origin, thereby providing new insights on the thermal and geologic crustal structure of the western United States.

Verification of the test stand for microbolometer camera in accredited laboratory

NASA Astrophysics Data System (ADS)

Krupiński, Michal; Bareła, Jaroslaw; Chmielewski, Krzysztof; Kastek, Mariusz

2017-10-01

Microbolometer belongs to the group of thermal detectors and consist of temperature sensitive resistor which is exposed to measured radiation flux. Bolometer array employs a pixel structure prepared in silicon technology. The detecting area is defined by a size of thin membrane, usually made of amorphous silicon (a-Si) or vanadium oxide (VOx). FPAs are made of a multitude of detector elements (for example 384 × 288 ), where each individual detector has different sensitivity and offset due to detector-to-detector spread in the FPA fabrication process, and additionally can change with sensor operating temperature, biasing voltage variation or temperature of the observed scene. The difference in sensitivity and offset among detectors (which is called non-uniformity) additionally with its high sensitivity, produces fixed pattern noise (FPN) on produced image. Fixed pattern noise degrades parameters of infrared cameras like sensitivity or NETD. Additionally it degrades image quality, radiometric accuracy and temperature resolution. In order to objectively compare the two infrared cameras ones must measure and compare their parameters on a laboratory test stand. One of the basic parameters for the evaluation of a designed camera is NETD. In order to examine the NETD, parameters such as sensitivity and pixels noise must be measured. To do so, ones should register the output signal from the camera in response to the radiation of black bodies at two different temperatures. The article presets an application and measuring stand for determining the parameters of microbolometers camera. Prepared measurements were compared with the result of the measurements in the Institute of Optoelectronics, MUT on a METS test stand by CI SYSTEM. This test stand consists of IR collimator, IR standard source, rotating wheel with test patterns, a computer with a video grabber card and specialized software. The parameters of thermals cameras were measure according to norms and method described in literature.

Direct observation of the magnetic domain evolution stimulated by temperature and magnetic field in PrMnGeSi alloy

NASA Astrophysics Data System (ADS)

Zuo, S. L.; Zhang, B.; Qiao, K. M.; Peng, L. C.; Li, R.; Xiong, J. F.; Zhang, Y.; Zhao, X.; Liu, D.; Zhao, T. Y.; Sun, J. R.; Hu, F. X.; Zhang, Y.; Shen, B. G.

2018-05-01

The magnetic domain evolution behavior under external field stimuli of temperature and magnetic field in PrMn2Ge0.4Si1.6 compound is investigated using Lorentz transmission electron microscopy. A spontaneous 180° magnetic domain is observed at room temperature and it changes with temperature. Dynamic magnetization process is related to the rotation of magnetic moments, resulting in the transforming of magnetic domains from 180° type to a uniform ferromagnetic state with almost no pinning effects under the in-plane magnetic field at room temperature. X-ray powder diffraction is performed on PrMn2Ge0.4Si1.6 at different temperatures to study the temperature dependence of crystal structure and lattice parameter.

Life Prediction/Reliability Data of Glass-Ceramic Material Determined for Radome Applications

NASA Technical Reports Server (NTRS)

Choi, Sung R.; Gyekenyesi, John P.

2002-01-01

Brittle materials, ceramics, are candidate materials for a variety of structural applications for a wide range of temperatures. However, the process of slow crack growth, occurring in any loading configuration, limits the service life of structural components. Therefore, it is important to accurately determine the slow crack growth parameters required for component life prediction using an appropriate test methodology. This test methodology also should be useful in determining the influence of component processing and composition variables on the slow crack growth behavior of newly developed or existing materials, thereby allowing the component processing and composition to be tailored and optimized to specific needs. Through the American Society for Testing and Materials (ASTM), the authors recently developed two test methods to determine the life prediction parameters of ceramics. The two test standards, ASTM 1368 for room temperature and ASTM C 1465 for elevated temperatures, were published in the 2001 Annual Book of ASTM Standards, Vol. 15.01. Briefly, the test method employs constant stress-rate (or dynamic fatigue) testing to determine flexural strengths as a function of the applied stress rate. The merit of this test method lies in its simplicity: strengths are measured in a routine manner in flexure at four or more applied stress rates with an appropriate number of test specimens at each applied stress rate. The slow crack growth parameters necessary for life prediction are then determined from a simple relationship between the strength and the applied stress rate. Extensive life prediction testing was conducted at the NASA Glenn Research Center using the developed ASTM C 1368 test method to determine the life prediction parameters of a glass-ceramic material that the Navy will use for radome applications.

Macroscopic aspects of interfacial reactions

NASA Technical Reports Server (NTRS)

Heckel, R. W.

1976-01-01

The extent of interdiffusion and formation of new phases is determined by the constitution diagram of the alloy system, the interdiffusion coefficients of the phases present, and the thermal conditions (temperature and time) associated with the bonding process and/or subsequent use of the bonded structure. In many instance, the kinetics of interdiffusion and phase formation can be predicted from known parameters using numerical methods and computer techniques. Predictions are compared with experimentally determined parameters for a variety of metallurgical alloy systems.

Geodynamic inversion to constrain the non-linear rheology of the lithosphere

NASA Astrophysics Data System (ADS)

Baumann, T. S.; Kaus, Boris J. P.

2015-08-01

One of the main methods to determine the strength of the lithosphere is by estimating it's effective elastic thickness. This method assumes that the lithosphere is a thin elastic plate that floats on the mantle and uses both topography and gravity anomalies to estimate the plate thickness. Whereas this seems to work well for oceanic plates, it has given controversial results in continental collision zones. For most of these locations, additional geophysical data sets such as receiver functions and seismic tomography exist that constrain the geometry of the lithosphere and often show that it is rather complex. Yet, lithospheric geometry by itself is insufficient to understand the dynamics of the lithosphere as this also requires knowledge of the rheology of the lithosphere. Laboratory experiments suggest that rocks deform in a viscous manner if temperatures are high and stresses low, or in a plastic/brittle manner if the yield stress is exceeded. Yet, the experimental results show significant variability between various rock types and there are large uncertainties in extrapolating laboratory values to nature, which leaves room for speculation. An independent method is thus required to better understand the rheology and dynamics of the lithosphere in collision zones. The goal of this paper is to discuss such an approach. Our method relies on performing numerical thermomechanical forward models of the present-day lithosphere with an initial geometry that is constructed from geophysical data sets. We employ experimentally determined creep-laws for the various parts of the lithosphere, but assume that the parameters of these creep-laws as well as the temperature structure of the lithosphere are uncertain. This is used as a priori information to formulate a Bayesian inverse problem that employs topography, gravity, horizontal and vertical surface velocities to invert for the unknown material parameters and temperature structure. In order to test the general methodology, we first perform a geodynamic inversion of a synthetic forward model of intraoceanic subduction with known parameters. This requires solving an inverse problem with 14-16 parameters, depending on whether temperature is assumed to be known or not. With the help of a massively parallel direct-search combined with a Markov Chain Monte Carlo method, solving the inverse problem becomes feasible. Results show that the rheological parameters and particularly the effective viscosity structure of the lithosphere can be reconstructed in a probabilistic sense. This also holds, with somewhat larger uncertainties, for the case where the temperature distribution is parametrized. Finally, we apply the method to a cross-section of the India-Asia collision system. In this case, the number of parameters is larger, which requires solving around 1.9 × 106 forward models. The resulting models fit the data within their respective uncertainty bounds, and show that the Indian mantle lithosphere must have a high viscosity. Results for the Tibetan plateau are less clear, and both models with a weak Asian mantle lithosphere and with a weak Asian lower crust fit the data nearly equally well.

Acoustical Studies of L-leucine and L-asparagine in aqueous electrolyte through thermal expansion coefficient

NASA Astrophysics Data System (ADS)

Jajodia, S.; Chimankar, O. P.; Kalambe, A.; Goswami, S. G.

2012-12-01

Amino acids are the building blocks of the proteins; their study provides important information, about the behaviour of larger biomolecules such as proteins. The properties of proteins such as their structure, solubility, denaturation, etc. are greatly influenced by electrolytes. Ultrasonic velocity and density values have been used for evaluation of thermal expansion coefficient and adiabatic compressibility for ternary systems (amino acid/salt + water) namely L-leucine / L-asparagine each in 1.5 M aqueous solution of NaCl used as solvent for various concentrations and at different temperatures (298.15K - 323.15K). Present paper reports the variation of various thermoacoustical parameters such as Moelwyn-Hughes parameter (C1), Beyer's non-linearity parameter (B/A), internal pressure (Pi), fractional free volume (f), available volume (Va), repulsive exponent (n), molecular constant (r), van der Waals' constant (b), Debye temperatue (θD), etc. have been computed from the thermal expansion coefficient with the change of concentration and temperature. The variations of all these parameters have been interpreted in terms of various intermolecular interactions such as strong, weak, charge transfer, complex formation, hydrogen bonding interaction. The structure making and breaking properties of the interacting components existing in proposed ternary systems. It shows the associating and dissociating tendency of the molecules of solute in solvent.The hetromolecular interactions are present in both the ternary systems.

Relationships between nocturnal winter road slipperiness, cloud cover and surface temperature

NASA Astrophysics Data System (ADS)

Grimbacher, T.; Schmid, W.

2003-04-01

Ice and Snow are important risks for road traffic. In this study we show several events of slipperiness in Switzerland, mainly caused by rain or snow falling on a frozen surface. Other reasons for slippery conditions are frost or freezing dew in clear nights and nocturnal clearing after precipitation, which goes along with radiative cooling. The main parameters of road weather forecasts are precipitation, cloudiness and surface temperature. Precipitation is well predictable with weather radars and radar nowcasting algorithms. Temperatures are often taken from numerical weather prediction models, but because of changes in cloud cover these model values are inaccurate in terms of predicting the onset of freezing. Cloudiness, especially the advection, formation and dissipation of clouds and their interaction with surface temperatures, is one of the major unsolved problems of road weather forecasts. Cloud cover and the temperature difference between air and surface temperature are important parameters of the radiation balance. In this contribution, we show the relationship between them, proved at several stations all over Switzerland. We found a quadratic correlation coefficient of typically 60% and improved it considering other meteorological parameters like wind speed and surface water. The acquired relationship may vary from one station to another, but we conclude that temperature difference is a signature for nocturnal cloudiness. We investigated nocturnal cloudiness for two cases from winters 2002 and 2003 in the canton of Lucerne in central Switzerland. There, an ultra-dense combination of two networks with together 55 stations within 50x50 km^2 is operated, measuring air and surface temperature, wind and other road weather parameters. With the aid of our equations, temperature differences detected from this network were converted into cloud maps. A comparison between precipitation seen by radar, cloud maps and surface temperatures shows that there are similar structures in all data. Depending on the situation, we also identified additional effects influencing the temperature differences, for instance the advection of could air or the influence of melting heat at or after a snow event. All these findings help to further understand the phenomena, and hence will contribute to a better predictability of winter road slipperiness.

PHASEGO: A toolkit for automatic calculation and plot of phase diagram

NASA Astrophysics Data System (ADS)

Liu, Zhong-Li

2015-06-01

The PHASEGO package extracts the Helmholtz free energy from the phonon density of states obtained by the first-principles calculations. With the help of equation of states fitting, it reduces the Gibbs free energy as a function of pressure/temperature at fixed temperature/pressure. Based on the quasi-harmonic approximation (QHA), it calculates the possible phase boundaries among all the structures of interest and finally plots the phase diagram automatically. For the single phase analysis, PHASEGO can numerically derive many properties, such as the thermal expansion coefficients, the bulk moduli, the heat capacities, the thermal pressures, the Hugoniot pressure-volume-temperature relations, the Grüneisen parameters, and the Debye temperatures. In order to check its ability of phase transition analysis, I present here two examples: semiconductor GaN and metallic Fe. In the case of GaN, PHASEGO automatically determined and plotted the phase boundaries among the provided zinc blende (ZB), wurtzite (WZ) and rocksalt (RS) structures. In the case of Fe, the results indicate that at high temperature the electronic thermal excitation free energy corrections considerably alter the phase boundaries among the body-centered cubic (bcc), face-centered cubic (fcc) and hexagonal close-packed (hcp) structures.

Structural and magnetic investigations of single-crystalline neodymium zirconate pyrochlore Nd2Zr2O7

NASA Astrophysics Data System (ADS)

Hatnean, M. Ciomaga; Lees, M. R.; Petrenko, O. A.; Keeble, D. S.; Balakrishnan, G.; Gutmann, M. J.; Klekovkina, V. V.; Malkin, B. Z.

2015-05-01

We report structural and magnetic properties studies of large high-quality single crystals of the frustrated magnet Nd2Zr2O7 . Powder x-ray diffraction analysis confirms that Nd2Zr2O7 adopts the pyrochlore structure. Room-temperature x-ray diffraction and time-of-flight neutron-scattering experiments show that the crystals are stoichiometric in composition with no measurable site disorder. The temperature dependence of the magnetic susceptibility shows no magnetic ordering at temperatures down to 0.5 K. Fits to the magnetic susceptibility data using a Curie-Weiss law reveal a ferromagnetic coupling between the Nd moments. Magnetization versus field measurements show a local Ising anisotropy along the <111 > axes of the Nd3 + ions in the ground state. Specific heat versus temperature measurements in zero applied magnetic field indicate the presence of a thermal anomaly below T ˜7 K, but no evidence of magnetic ordering is observed down to 0.5 K. The experimental temperature dependence of the single-crystal bulk dc susceptibility and isothermal magnetization are analyzed using crystal field theory and the crystal field parameters and exchange coupling constants determined.

Radon and temperature as tracer of geothermal flow system: application to Arxan geothermal system, Northeastern China

NASA Astrophysics Data System (ADS)

Gu, X.; Shao, J.; Cui, Y.

2017-12-01

In this work, hydrogeological and hydrochemical investigations were applied to explain geothermal system factors controlling groundwater mineralization in Arxan geothermal system, Northeastern China. Geothermal water samples were collected from different locations (thermal baths and wells). Radon concentrations of water samples representing different water types and depths were controlled using RAD7. In addition to radon concentration, physical parameters such as temperature (T), pH, electrical conductivity (EC) and TDS were measured in situ, while major ions were analyzed in laboratory. Temperature spatial variability in the study area was described using kriging interpolation method. Hydrochemical analysis and thermal parameters suggest two distinct hydrogeological systems. The first type was dominated by a moderate temperature (25 41°C) with a chemical facies Na-HCO3, which characterizes Jurassic deep water. The second water type was characterized by Ca.Na-HCO3 type with a temperature <25 °C and represents the shallow aquifer. Superficial aquifer displays higher radon concentration (37 to 130 Bq/L), while deep groundwater from Jurassic aquifer shows relatively a low radon concentration (6 to 57.4 Bq/L). Seasonal and geographical variations of radon give insight into the processes controlling radon activities in the Arxan groundwater. Radon concentrations along with spatial distribution of water temperature reveal the existence of vertical communication between shallow aquifer and deep Jurassic aquifer through vertical faults and fractures system, the emanation of radon from thermal water and groundwater is controlled by the geological structure of the area. Furthermore, the knowledge and conclusion demonstrates that combined use of radon and temperature as tracers can give insight into the characteristics of geological structure and geothermal flow system.

Oblique ion-acoustic cnoidal waves in two temperature superthermal electrons magnetized plasma

NASA Astrophysics Data System (ADS)

Panwar, A.; Ryu, C. M.; Bains, A. S.

2014-12-01

A study is presented for the oblique propagation of ion acoustic cnoidal waves in a magnetized plasma consisting of cold ions and two temperature superthermal electrons modelled by kappa-type distributions. Using the reductive perturbation method, the nonlinear Korteweg de-Vries equation is derived, which further gives the solutions with a special type of cnoidal elliptical functions. Both compressive and rarefactive structures are found for these cnoidal waves. Nonlinear periodic cnoidal waves are explained in terms of plasma parameters depicting the Sagdeev potential and the phase curves. It is found that the density ratio of hot electrons to ions μ significantly modifies compressive/refractive wave structures. Furthermore, the combined effects of superthermality of cold and hot electrons κ c , κ h , cold to hot electron temperature ratio σ, angle of propagation and ion cyclotron frequency ωci have been studied in detail to analyze the height and width of compressive/refractive cnoidal waves. The findings in the present study could have important implications in understanding the physics of electrostatic wave structures in the Saturn's magnetosphere where two temperature superthermal electrons are present.

High temperature composite analyzer (HITCAN) user's manual, version 1.0

NASA Technical Reports Server (NTRS)

Lackney, J. J.; Singhal, S. N.; Murthy, P. L. N.; Gotsis, P.

1993-01-01

This manual describes 'how-to-use' the computer code, HITCAN (HIgh Temperature Composite ANalyzer). HITCAN is a general purpose computer program for predicting nonlinear global structural and local stress-strain response of arbitrarily oriented, multilayered high temperature metal matrix composite structures. This code combines composite mechanics and laminate theory with an internal data base for material properties of the constituents (matrix, fiber and interphase). The thermo-mechanical properties of the constituents are considered to be nonlinearly dependent on several parameters including temperature, stress and stress rate. The computation procedure for the analysis of the composite structures uses the finite element method. HITCAN is written in FORTRAN 77 computer language and at present has been configured and executed on the NASA Lewis Research Center CRAY XMP and YMP computers. This manual describes HlTCAN's capabilities and limitations followed by input/execution/output descriptions and example problems. The input is described in detail including (1) geometry modeling, (2) types of finite elements, (3) types of analysis, (4) material data, (5) types of loading, (6) boundary conditions, (7) output control, (8) program options, and (9) data bank.

Ab initio study on rare-earth iron-pnictides RFeAsO (R = Pr, Nd, Sm, Gd) in low-temperature Cmma phase

NASA Astrophysics Data System (ADS)

Eryigit, Resul; Gurel, Tanju; Erturk, Esra; Lukoyanov, A. V.; Akcay, Guven; Anisimov, V. I.

2014-03-01

We present density functional theory calculations on iron-based pnictides RFeAsO (R = Pr, Nd, Sm, Gd). The calculations have been carried out using plane-waves and projector augmented wave (PAW) pseudopotential approach. Structural, magnetic and electronic properties are studied within generalized gradient approximation (GGA) and also within GGA+U in order to investigate the influence of electron correlation effects. Low-temperature Cmma structure is fully optimized by GGA considering both non-magnetic and magnetic cells. We have found that spin-polarized structure improves the agreement with experiments on equilibrium lattice parameters, particularly c lattice parameter and Fe-As bond-lengths. Electronic band structure, total density of states, and spin-dependent orbital-resolved density of states are also analyzed in the frameworks of GGA and GGA+U and discussed. For all materials, by including on-site Coulomb correction, rare earth 4f states move away from the Fermi level and the Fermi level features of the systems are found to be mostly defined by the 3d electron-electron correlations in Fe. This work was supported by the Scientific and Technological Research Council of Turkey (TUBITAK Project No. TBAG-111T796) and the Russian Foundation for Basic Research (Project No. 12-02-91371-CT_a).

Analytical assessment of some characteristic ratios for s-wave superconductors

NASA Astrophysics Data System (ADS)

Gonczarek, Ryszard; Krzyzosiak, Mateusz; Gonczarek, Adam; Jacak, Lucjan

2018-04-01

We evaluate some thermodynamic quantities and characteristic ratios that describe low- and high-temperature s-wave superconducting systems. Based on a set of fundamental equations derived within the conformal transformation method, a simple model is proposed and studied analytically. After including a one-parameter class of fluctuations in the density of states, the mathematical structure of the s-wave superconducting gap, the free energy difference, and the specific heat difference is found and discussed in an analytic manner. Both the zero-temperature limit T = 0 and the subcritical temperature range T ≲ T c are discussed using the method of successive approximations. The equation for the ratio R 1, relating the zero-temperature energy gap and the critical temperature, is formulated and solved numerically for various values of the model parameter. Other thermodynamic quantities are analyzed, including a characteristic ratio R 2, quantifying the dynamics of the specific heat jump at the critical temperature. It is shown that the obtained model results coincide with experimental data for low- T c superconductors. The prospect of application of the presented model in studies of high- T c superconductors and other superconducting systems of the new generation is also discussed.

Modeling of the effect of freezer conditions on the hardness of ice cream using response surface methodology.

PubMed

Inoue, K; Ochi, H; Habara, K; Taketsuka, M; Saito, H; Ichihashi, N; Iwatsuki, K

2009-12-01

The effect of conventional continuous freezer parameters [mix flow (L/h), overrun (%), drawing temperature ( degrees C), cylinder pressure (kPa), and dasher speed (rpm)] on the hardness of ice cream under varying measured temperatures (-5, -10, and -15 degrees C) was investigated systematically using response surface methodology (central composite face-centered design), and the relationships were expressed as statistical models. The range (maximum and minimum values) of each freezer parameter was set according to the actual capability of the conventional freezer and applicability to the manufacturing process. Hardness was measured using a penetrometer. These models showed that overrun and drawing temperature had significant effects on hardness. The models can be used to optimize freezer conditions to make ice cream of the least possible hardness under the highest overrun (120%) and a drawing temperature of approximately -5.5 degrees C (slightly warmer than the lowest drawing temperature of -6.5 degrees C) within the range of this study. With reference to the structural elements of the ice cream, we suggest that the volume of overrun and ice crystal content, ice crystal size, and fat globule destabilization affect the hardness of ice cream. In addition, the combination of a simple instrumental parameter and response surface methodology allows us to show the relation between freezer conditions and one of the most important properties-hardness-visually and quantitatively on the practical level.

A study of the origin of large magnetic field coupled electric polarization in HoAl(BO3)4

NASA Astrophysics Data System (ADS)

Yu, Tian; Zhang, Han; Tyson, Trevor; Chen, Zhiqiang; Abeykoon, Milinda; Nelson, Christie; Bezmaternykh, Leonard

2015-03-01

The multiferroic system RAl(BO3)4 is known to exhibit a strong coupling of magnetic field to the electrical polarization. Recently a giant magnetoelectric effect was found in HoAl3(BO3)4 system. This phenomenon is considered quite interesting because the value discovered is significantly higher than reported values of linear magnetoelectric or even multiferroic compounds. We are conducting detailed structural measurements to understand the coupling. We are exploring the local and long range structure in these systems using x-ray PDF, XAFS and single crystal diffraction measurement between 10 K and 400 K. Structural parameters including lattice parameters and ADPs are being determined over the full temperature range. This work is supported by DOE Grant DE-FG02-07ER46402.

Determination and importance of temperature dependence of retention coefficient (RPHPLC) in QSAR model of nitrazepams' partition coefficient in bile acid micelles.

PubMed

Posa, Mihalj; Pilipović, Ana; Lalić, Mladena; Popović, Jovan

2011-02-15

Linear dependence between temperature (t) and retention coefficient (k, reversed phase HPLC) of bile acids is obtained. Parameters (a, intercept and b, slope) of the linear function k=f(t) highly correlate with bile acids' structures. Investigated bile acids form linear congeneric groups on a principal component (calculated from k=f(t)) score plot that are in accordance with conformations of the hydroxyl and oxo groups in a bile acid steroid skeleton. Partition coefficient (K(p)) of nitrazepam in bile acids' micelles is investigated. Nitrazepam molecules incorporated in micelles show modified bioavailability (depo effect, higher permeability, etc.). Using multiple linear regression method QSAR models of nitrazepams' partition coefficient, K(p) are derived on the temperatures of 25°C and 37°C. For deriving linear regression models on both temperatures experimentally obtained lipophilicity parameters are included (PC1 from data k=f(t)) and in silico descriptors of the shape of a molecule while on the higher temperature molecular polarisation is introduced. This indicates the fact that the incorporation mechanism of nitrazepam in BA micelles changes on the higher temperatures. QSAR models are derived using partial least squares method as well. Experimental parameters k=f(t) are shown to be significant predictive variables. Both QSAR models are validated using cross validation and internal validation method. PLS models have slightly higher predictive capability than MLR models. Copyright © 2010 Elsevier B.V. All rights reserved.

Thermoelectric Properties of Variants of Cu4Mn2Te4 with Spinel-Related Structure.

PubMed

Guo, Quansheng; Vaney, Jean-Baptiste; Virtudazo, Raymond; Minami, Ryunosuke; Michiue, Yuichi; Yamabe-Mitarai, Yoko; Mori, Takao

2018-05-07

Thermoelectric properties of Cu 4 Mn 2 Te 4 , which is antiferromagnetic with a Néel temperature T N = 50 K and crystallizes in a spinel-related structure, have been investigated comprehensively here. The phase transition occurring at temperatures 463 and 723 K is studied by high-temperature X-ray diffraction (XRD) and differential scanning calorimetry (DSC), and its effect on thermoelectric properties is examined. Hypothetically Cu 4 Mn 2 Te 4 is semiconducting according to the formula (Cu + ) 4 (Mn 2+ ) 2 (Te 2- ) 4 , while experimentally it shows p-type metallic conduction behavior, exhibiting electrical conductivity σ = 2500 Ω -1 cm -1 and Seebeck coefficient α = 20 μV K -1 at 325 K. Herein, we show that the carrier concentration and thus the thermoelectric transport properties could be further optimized through adding electron donors such as excess Mn. Discussions are made on the physical parameters contributing to the low thermal conductivity, including Debye temperature, speed of sound, and the Grüneisen parameter. As a result of simultaneously boosted power factor and reduced thermal conductivity, a moderately high zT = 0.65 at 680 K is obtained in an excess Mn\\In co-added sample, amounting to 5 times that of the pristine Cu 4 Mn 2 Te 4 . This value ( zT = 0.65) is the best result ever reported for spinel and spinel-related chalcogenides.

Investigation of temperature, catalyst thickness and substrate effects in In2O3 nanostructures

NASA Astrophysics Data System (ADS)

Tuzluca, Fatma Nur; Yesilbag, Yasar Ozkan; Ertugrul, Mehmet

2017-12-01

This study successfully synthesized In2O3 nanotowers (NTs), nanowires (NWs), nanochains (NChs) and nanocrystals (NCs) on n-type Si(100) and quartz substrates at temperature of 900-1000 °C by using Au catalysts via the Chemical Vapor Deposition (CVD) technique. The analyses of experimental results revealed that In2O3 nanostructures (NSs) grew in different morphologies due to variable parameters, such as temperature, thickness of catalyst and substrate type. This was because these In2O3 NSs were formed by both the Vapor-Liquid-Solid (VLS) and the Vapor-Solid (VS) growth mechanisms. For instance, In2O3 NTs and NChs were formed by the VLS growth mechanism; In2O3 NCs were formed by the VS growth mechanism and In2O3 NWs were formed by both the VLS and VS growth mechanisms. Morphology and crystal structures were identified through X-Ray Diffraction (XRD), High Resolution Transmission Electron Microscopy (HRTEM), Field Emission Scanning Electron Microscopy (FESEM) and Energy Dispersive X-Ray Spectroscopy (EDS). Moreover, photoluminescence (PL) peaks of In2O3 NSs were measured to be 367 nm, 470 nm, and 630 nm at room temperature (RT). These measurement results indicated that structural, morphological, compositional and optical properties of synthesized In2O3 NSs correlated with growth parameters.

Investigation of the structural, electronic, elastic and thermodynamic properties of Curium Monopnictides: An ab initio study

NASA Astrophysics Data System (ADS)

Baaziz, H.; Guendouz, Dj.; Charifi, Z.; Akbudak, S.; Uğur, G.; Uğur, Ş.; Boudiaf, K.

2017-12-01

The structural, electronic, elastic and thermodynamic properties of Curium Monopnictides CmX (X = N, P, As, Sb and Bi) are investigated using first-principles calculations based on the density functional theory (DFT) and full potential linearized augmented plane wave (FP-LAPW) method under ambient condition and high pressure. The exchange-correlation term is treated using two approximations spin-polarized local density approximation (LSDA) and spin-polarized generalized gradient approximation generalized (GGA). The structural parameters such as the equilibrium lattice parameters, bulk modulus and the total energies are calculated in two phases: namely NaCl (B1) and CsCl (B2). The obtained results are compared with the previous theoretical and experimental results. A structural phase transition from B1 phase to B2 phase for Curium pnictides has been obtained. The highest transition pressure is 122 GPa for CmN and the lowest one is 10.0 GPa for CmBi compound. The electronic properties show that these materials exhibit half-metallic behavior in both phases. The magnetic moment is found to be around 7.0 μB. The mechanical properties of CmX (X = N, P, As, Sb and Bi) are predicted from the calculated elastic constants. Our calculated results are in good agreement with the theoretical results in literature. The effect of pressure and temperature on the thermodynamic properties like the cell volume, bulk modulus and the specific heats C𝜗 and CP, the entropy 𝒮 and the Grüneisen parameter γ have been foreseen at expanded pressure and temperature ranges.

Influence of the Geometric Parameter on the Regimes of Natural Convection and Thermal Surface Radiation in a Closed Parallelepiped

NASA Astrophysics Data System (ADS)

Martyushev, S. G.; Miroshnichenko, I. V.; Sheremet, M. A.

2015-11-01

We have performed a numerical analysis of the stationary regimes of thermogravitational convection and thermal surface radiation in a closed differentially heated parallelepiped. The mathematical model formulated in dimensionless natural velocity-pressure-temperature variables was realized numerically in the control volume approach. Analysis of the radiative heat exchange was carried out on the basis of the surface radiation approach with the use of the balance method in the Polyak variant. We have obtained three-dimensional temperature and velocity fields, as well as dependences for the mean Nusselt number reflecting the influence of the geometric parameter, the Rayleigh number, and the reduced emissive factor of the walls on the flow structure and the heat transfer.

Effect of growth parameters on crystallinity and properties of ZnO films grown by plasma assisted MOCVD

NASA Astrophysics Data System (ADS)

Losurdo, M.; Giangregorio, M. M.; Sacchetti, A.; Capezzuto, P.; Bruno, G.; Malandrino, G.; Fragalà, I. L.

2007-07-01

Thin films of ZnO have been grown by plasma assisted metal-organic chemical vapour deposition (PA-MOCVD) using a 13.56 MHz O 2 plasma and the Zn(TTA)•tmed (HTTA=2-thenoyltrifluoroacetone, TMED=N,N,N',N'-tetramethylethylendiamine) precursor. The effects of growth parameters such as the plasma activation, the substrate, the surface temperature, and the ratio of fluxes of precursors on the structure, morphology, and optical and electrical properties of ZnO thin films have been studied. Under a very low plasma power of 20 W, c-axis oriented hexagonal ZnO thin films are grown on hexagonal sapphire (0001), cubic Si(001) and amorphous quartz substrates. The substrate temperature mainly controls grain size.

Comparative study of I- V methods to extract Au/FePc/p-Si Schottky barrier diode parameters

NASA Astrophysics Data System (ADS)

Oruç, Çiğdem; Altındal, Ahmet

2018-01-01

So far, various methods have been proposed to extract the Schottky diode parameters from measured current-voltage characteristics. In this work, Schottky barrier diode with structure of Au/2(3),9(10),16(17),23(24)-tetra(4-(4-methoxyphenyl)-8-methylcoumarin-7 oxy) phthalocyaninatoiron(II) (FePc)/p-Si was fabricated and current-voltage measurements were carried out on it. In addition, current-voltage measurements were also performed on Au/p-Si structure, without FePc, to clarify the influence of the presence of an interface layer on the device performance. The measured current-voltage characteristics indicate that the interface properties of a Schottky barrier diode can be controlled by the presence of an organic interface layer. It is found that the room temperature barrier height of Au/FePc/p-Si structure is larger than that of the Au/p-Si structure. The obtained forward bias current-voltage characteristics of the Au/FePc/p-Si device was analysed by five different analytical methods. It is found that the extracted values of SBD parameters strongly depends on the method used.

Positron annihilation lifetime spectroscopy (PALS) as a characterization technique for nanostructured self-assembled amphiphile systems.

PubMed

Dong, Aurelia W; Pascual-Izarra, Carlos; Pas, Steven J; Hill, Anita J; Boyd, Ben J; Drummond, Calum J

2009-01-08

Positron annihilation lifetime spectroscopy (PALS) has potential as a novel rapid characterization method for self-assembly amphiphile systems; however, a lack of systematic correlation of PALS parameters with structural attributes has limited its more widespread application. In this study, using the well-characterized phytantriol/water and the phytantriol/vitamin E acetate/water self-assembly amphiphile systems, the impact of systematic structural changes controlled by changes in composition and temperature on PALS parameters has been studied. The PALS parameters (orthopositronium (oPs) lifetime and intensity signatures) were shown to be sensitive to the molecular packing and mobility of the self-assembled lipid molecules in various lyotropic liquid crystalline phases, enabling differentiation between liquid crystalline structures. The oPs lifetime, related to the molecular packing and mobility, is correlated with rheological properties of the individual mesophases. The oPs lifetime links the lipid chain packing and mobility in the various mesophases to resultant macroscopic properties, such as permeability, which is critical for the use of these mesophase structures as diffusion-controlled release matrices for active liposoluble compounds.

Temperature dependent x-ray diffraction and dielectric studies of multiferroic GaFeO{sub 3}

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

Kumar, Rajeev; Mall, Ashish Kumar, E-mail: ashishm@iitk.ac.in; Gupta, Rajeev

2016-05-06

Polycrystalline GaFeO{sub 3} (GFO) samples were synthesized by sol-gel method. The structural and dielectric properties of GaFeO{sub 3} ceramic have been investigated by a combination of XRD and permittivity measurement. The X-ray diffraction spectra shows single phase orthorhombically distorted perovskite structure with Pc2{sub 1}n symmetry over a wide range of temperature 300 K to 600 K, with no evidence of any phase transition. Refined lattice parameters (a, b, c and V) increases with increasing temperature. Temperature dependent dielectric properties were investigated in the frequency range from 100Hz–5MHz. Impedance spectroscopy study on the sample showed that the dielectric constant and acmore » conductivity with frequency increases on increasing the temperature. Cole-Cole plots suggest that the response from grain is dominant at low temperature whereas grain boundary response overcomes as temperature increases. The relaxation activation energy (calculated from Cole-Cole plots) value is found to be 0.32 eV for the grain boundary. We believe that the oxygen ion vacancies play an important role in conduction processes at higher temperatures.« less

Nodal gap structure and order parameter symmetry of the unconventional superconductor UPt₃

DOE PAGES

Gannon, W. J.; Halperin, W. P.; Rastovski, C.; ...

2015-02-01

Spanning a broad range of physical systems, complex symmetry breaking is widely recognized as a hallmark of competing interactions. This is exemplified in superfluid ³He which has multiple thermodynamic phases with spin and orbital quantum numbers S = 1 and L = 1, that emerge on cooling from a nearly ferromagnetic Fermi liquid. The heavy fermion compound UPt₃ exhibits similar behavior clearly manifest in its multiple superconducting phases. However, consensus as to its order parameter symmetry has remained elusive. Our small angle neutron scattering measurements indicate a linear temperature dependence of the London penetration depth characteristic of nodal structure ofmore » the order parameter. Our theoretical analysis is consistent with assignment of its symmetry to an L = 3 odd parity state for which one of the three thermodynamic phases in non-zero magnetic field is chiral.« less

Nodal gap structure and order parameter symmetry of the unconventional superconductor UPt₃

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

Gannon, W. J.; Halperin, W. P.; Rastovski, C.

Spanning a broad range of physical systems, complex symmetry breaking is widely recognized as a hallmark of competing interactions. This is exemplified in superfluid ³He which has multiple thermodynamic phases with spin and orbital quantum numbers S = 1 and L = 1, that emerge on cooling from a nearly ferromagnetic Fermi liquid. The heavy fermion compound UPt₃ exhibits similar behavior clearly manifest in its multiple superconducting phases. However, consensus as to its order parameter symmetry has remained elusive. Our small angle neutron scattering measurements indicate a linear temperature dependence of the London penetration depth characteristic of nodal structure ofmore » the order parameter. Our theoretical analysis is consistent with assignment of its symmetry to an L = 3 odd parity state for which one of the three thermodynamic phases in non-zero magnetic field is chiral.« less

Structural and elastic properties of AIBIIIC 2 VI semiconductors

NASA Astrophysics Data System (ADS)

Kumar, V.; Singh, Bhanu P.

2018-01-01

The plane wave pseudo-potential method within density functional theory has been used to calculate the structural and elastic properties of AIBIIIC 2 VI semiconductors. The electronic band structure, density of states, lattice constants (a and c), internal parameter (u), tetragonal distortion (η), energy gap (Eg), and bond lengths of the A-C (dAC) and B-C (dBC) bonds in AIBIIIC 2 VI semiconductors have been calculated. The values of elastic constants (Cij), bulk modulus (B), shear modulus (G), Young's modulus (Y), Poisson's ratio (υ), Zener anisotropy factor (A), Debye temperature (ϴD) and G/B ratio have also been calculated. The values of all 15 parameters of CuTlS2 and CuTlSe2 compounds, and 8 parameters of 20 compounds of AIBIIIC 2 VI family, except AgInS2 and AgInSe2, have been calculated for the first time. Reasonably good agreement has been obtained between the calculated, reported and available experimental values.

Optimal structure and parameter learning of Ising models

DOE PAGES

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant; ...

2018-03-16

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Optimal structure and parameter learning of Ising models

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

Lokhov, Andrey; Vuffray, Marc Denis; Misra, Sidhant

Reconstruction of the structure and parameters of an Ising model from binary samples is a problem of practical importance in a variety of disciplines, ranging from statistical physics and computational biology to image processing and machine learning. The focus of the research community shifted toward developing universal reconstruction algorithms that are both computationally efficient and require the minimal amount of expensive data. Here, we introduce a new method, interaction screening, which accurately estimates model parameters using local optimization problems. The algorithm provably achieves perfect graph structure recovery with an information-theoretically optimal number of samples, notably in the low-temperature regime, whichmore » is known to be the hardest for learning. Here, the efficacy of interaction screening is assessed through extensive numerical tests on synthetic Ising models of various topologies with different types of interactions, as well as on real data produced by a D-Wave quantum computer. Finally, this study shows that the interaction screening method is an exact, tractable, and optimal technique that universally solves the inverse Ising problem.« less

Intralayer magnetic ordering in Ge/Mn digital alloys

NASA Astrophysics Data System (ADS)

Otrokov, M. M.; Ernst, A.; Ostanin, S.; Fischer, G.; Buczek, P.; Sandratskii, L. M.; Hergert, W.; Mertig, I.; Kuznetsov, V. M.; Chulkov, E. V.

2011-04-01

We present a first-principles investigation of the electronic properties of Ge/Mn digital alloys obtained by the insertion of Mn monolayers in the Ge host. The main attention is devoted to the study of the magnetic properties of the Mn layers for various types of ordering of the Mn atoms. Depending on the type of Mn position three different structures are considered: substitutional, interstitial, and combined substitutional-interstitial. In all three cases numerical structural relaxation of the atomic positions has been performed. We find that the intralayer exchange parameters depend strongly on the crystal structure. For the substitutional and interstitial types of structure the stable magnetic order was found to be ferromagnetic. For the mixed substitutional-interstitial structure the ferromagnetic configuration appears unstable and a complex ferrimagnetic structure forms. The spin-wave excitations are calculated within the Heisenberg model. The critical temperatures of the magnetic phase transitions are determined using Monte Carlo simulations with interatomic exchange parameters obtained for two different magnetic reference states: a ferromagnetic and a disordered local moment state.

Development of methodologies for the estimation of thermal properties associated with aerospace vehicles

NASA Technical Reports Server (NTRS)

Scott, Elaine P.

1993-01-01

Thermal stress analyses are an important aspect in the development of aerospace vehicles such as the National Aero-Space Plane (NASP) and the High-Speed Civil Transport (HSCT) at NASA-LaRC. These analyses require knowledge of the temperature within the structures which consequently necessitates the need for thermal property data. The initial goal of this research effort was to develop a methodology for the estimation of thermal properties of aerospace structural materials at room temperature and to develop a procedure to optimize the estimation process. The estimation procedure was implemented utilizing a general purpose finite element code. In addition, an optimization procedure was developed and implemented to determine critical experimental parameters to optimize the estimation procedure. Finally, preliminary experiments were conducted at the Aircraft Structures Branch (ASB) laboratory.

Determining the spin dependent mean free path in Co90Fe10 using giant magnetoresistance

NASA Astrophysics Data System (ADS)

Shakespear, K. F.; Perdue, K. L.; Moyerman, S. M.; Checkelsky, J. G.; Harberger, S. S.; Tamboli, A. C.; Carey, M. J.; Sparks, P. D.; Eckert, J. C.

2005-05-01

The spin dependent mean free path in Co90Fe10 is determined as a function of temperature down to 5K using two different spin valve structures. At 5K the spin dependent mean free path for one structure was measured to be 9.4±1.4nm, decreasing by a factor of 3 by 350K. For the other structure, it is 7.5±0.5nm at 5K and decreased by a factor of 1.5 by 350K. In both cases, the spin dependent mean free path approaches the typical thickness of ferromagnetic layers in spin valves at room temperature and, thus, has an impact on the choice of design parameters for the development of new spintronic devices.

Development of methodologies for the estimation of thermal properties associated with aerospace vehicles

NASA Astrophysics Data System (ADS)

Scott, Elaine P.

1993-12-01

Thermal stress analyses are an important aspect in the development of aerospace vehicles such as the National Aero-Space Plane (NASP) and the High-Speed Civil Transport (HSCT) at NASA-LaRC. These analyses require knowledge of the temperature within the structures which consequently necessitates the need for thermal property data. The initial goal of this research effort was to develop a methodology for the estimation of thermal properties of aerospace structural materials at room temperature and to develop a procedure to optimize the estimation process. The estimation procedure was implemented utilizing a general purpose finite element code. In addition, an optimization procedure was developed and implemented to determine critical experimental parameters to optimize the estimation procedure. Finally, preliminary experiments were conducted at the Aircraft Structures Branch (ASB) laboratory.

Experimental study of thermal conductivity of pyrolysised materials by means of a flat layer

NASA Astrophysics Data System (ADS)

Vaniushkin, V. D.; Popov, S. K.; Sidenkov, D. V.

2017-11-01

Recycling of tires is currently a very important task. One of the areas of recycling tires is their low-temperature pyrolysis to produce marketable products - liquid fraction and a solid coke residue. For the development of the pyrolysis installation it is important to know the thermal conductivity of the coke residue at different temperatures of pyrolysis of initial material. As a property of matter, thermal conductivity depends in general on temperature and pressure. For materials with some structure, such as porous materials, the thermal conductivity depends on the characteristics of the structure. The thermal conductivity of the porous coke residue at pyrolysis temperatures of 300 0C, 400 0C, 500 0C and atmospheric pressure was studied experimentally at the laboratory unit of the department of “Theoretical basis of heat engineering” using the method of the flat layer in the temperature range 5…100 0C. Experimentally proved temperature dependencies of the coefficient of thermal conductivity of the coke residue are built to improve the accuracy of calculations of constructive and regime parameters of the pyrolysis installation.

Analysis, compensation, and correction of temperature effects on FBG strain sensors

NASA Astrophysics Data System (ADS)

Haber, T. C.; Ferguson, S.; Guthrie, D.; Graver, T. W.; Soller, B. J.; Mendez, Alexis

2013-05-01

One of the most common fiber optic sensor (FOS) types used are fiber Bragg gratings (FBG), and the most frequently measured parameter is strain. Hence, FBG strain sensors are one of the most prevalent FOS devices in use today in structural sensing and monitoring in civil engineering, aerospace, marine, oil and gas, composites and smart structure applications. However, since FBGs are simultaneously sensitive to both temperature and strain, it becomes essential to utilize sensors that are either fully temperature insensitive or, alternatively, properly temperature compensated to avoid erroneous measurements. In this paper, we introduce the concept of measured "total strain", which is inherent and unique to optical strain sensors. We review and analyze the temperature and strain sensitivities of FBG strain sensors and decompose the total measured strain into thermal and non-thermal components. We explore the differences between substrate CTE and System Thermal Response Coefficients, which govern the type and quality of thermal strain decomposition analysis. Finally, we present specific guidelines to achieve proper temperature-insensitive strain measurements by combining adequate installation, sensor packaging and data correction techniques.

Dewetting dynamics of a gold film on graphene: implications for nanoparticle formation.

PubMed

Namsani, Sadanandam; Singh, Jayant K

2016-01-01

The dynamics of dewetting of gold films on graphene surfaces is investigated using molecular dynamics simulation. The effect of temperature (973-1533 K), film diameter (30-40 nm) and film thickness (0.5-3 nm) on the dewetting mechanism, leading to the formation of nanoparticles, is reported. The dewetting behavior for films ≤5 Å is in contrast to the behavior seen for thicker films. The retraction velocity, in the order of ∼300 m s(-1) for a 1 nm film, decreases with an increase in film thickness, whereas it increases with temperature. However at no point do nanoparticles detach from the surface within the temperature range considered in this work. We further investigated the self-assembly behavior of nanoparticles on graphene at different temperatures (673-1073 K). The process of self-assembly of gold nanoparticles is favorable at lower temperatures than at higher temperatures, based on the free-energy landscape analysis. Furthermore, the shape of an assembled structure is found to change from spherical to hexagonal, with a marked propensity towards an icosahedral structure based on the bond-orientational order parameters.

Retrieving Temperature Anomaly in the Global Subsurface and Deeper Ocean From Satellite Observations

NASA Astrophysics Data System (ADS)

Su, Hua; Li, Wene; Yan, Xiao-Hai

2018-01-01

Retrieving the subsurface and deeper ocean (SDO) dynamic parameters from satellite observations is crucial for effectively understanding ocean interior anomalies and dynamic processes, but it is challenging to accurately estimate the subsurface thermal structure over the global scale from sea surface parameters. This study proposes a new approach based on Random Forest (RF) machine learning to retrieve subsurface temperature anomaly (STA) in the global ocean from multisource satellite observations including sea surface height anomaly (SSHA), sea surface temperature anomaly (SSTA), sea surface salinity anomaly (SSSA), and sea surface wind anomaly (SSWA) via in situ Argo data for RF training and testing. RF machine-learning approach can accurately retrieve the STA in the global ocean from satellite observations of sea surface parameters (SSHA, SSTA, SSSA, SSWA). The Argo STA data were used to validate the accuracy and reliability of the results from the RF model. The results indicated that SSHA, SSTA, SSSA, and SSWA together are useful parameters for detecting SDO thermal information and obtaining accurate STA estimations. The proposed method also outperformed support vector regression (SVR) in global STA estimation. It will be a useful technique for studying SDO thermal variability and its role in global climate system from global-scale satellite observations.

An approach to parameter estimation for breast tumor by finite element method

NASA Astrophysics Data System (ADS)

Xu, A.-qing; Yang, Hong-qin; Ye, Zhen; Su, Yi-ming; Xie, Shu-sen

2009-02-01

The temperature of human body on the surface of the skin depends on the metabolic activity, the blood flow, and the temperature of the surroundings. Any abnormality in the tissue, such as the presence of a tumor, alters the normal temperature on the skin surface due to increased metabolic activity of the tumor. Therefore, abnormal skin temperature profiles are an indication of diseases such as tumor or cancer. This study is to present an approach to detect the female breast tumor and its related parameter estimations by combination the finite element method with infrared thermography for the surface temperature profile. A 2D simplified breast embedded a tumor model based on the female breast anatomical structure and physiological characteristics was first established, and then finite element method was used to analyze the heat diffuse equation for the surface temperature profiles of the breast. The genetic optimization algorithm was used to estimate the tumor parameters such as depth, size and blood perfusion by minimizing a fitness function involving the temperature profiles simulated data by finite element method to the experimental data obtained by infrared thermography. This preliminary study shows it is possible to determine the depth and the heat generation rate of the breast tumor by using infrared thermography and the optimization analysis, which may play an important role in the female breast healthcare and diseases evaluation or early detection. In order to develop the proposed methodology to be used in clinical, more accurate anatomy 3D breast geometry should be considered in further investigations.

Direct synthesis of graphitic mesoporous carbon from green phenolic resins exposed to subsequent UV and IR laser irradiations

PubMed Central

Sopronyi, Mihai; Sima, Felix; Vaulot, Cyril; Delmotte, Luc; Bahouka, Armel; Matei Ghimbeu, Camelia

2016-01-01

The design of mesoporous carbon materials with controlled textural and structural features by rapid, cost-effective and eco-friendly means is highly demanded for many fields of applications. We report herein on the fast and tailored synthesis of mesoporous carbon by UV and IR laser assisted irradiations of a solution consisting of green phenolic resins and surfactant agent. By tailoring the UV laser parameters such as energy, pulse repetition rate or exposure time carbon materials with different pore size, architecture and wall thickness were obtained. By increasing irradiation dose, the mesopore size diminishes in the favor of wall thickness while the morphology shifts from worm-like to an ordered hexagonal one. This was related to the intensification of phenolic resin cross-linking which induces the reduction of H-bonding with the template as highlighted by 13C and 1H NMR. In addition, mesoporous carbon with graphitic structure was obtained by IR laser irradiation at room temperature and in very short time periods compared to the classical long thermal treatment at very high temperatures. Therefore, the carbon texture and structure can be tuned only by playing with laser parameters, without extra chemicals, as usually required. PMID:28000781

Bayesian calibration for electrochemical thermal model of lithium-ion cells

NASA Astrophysics Data System (ADS)

Tagade, Piyush; Hariharan, Krishnan S.; Basu, Suman; Verma, Mohan Kumar Singh; Kolake, Subramanya Mayya; Song, Taewon; Oh, Dukjin; Yeo, Taejung; Doo, Seokgwang

2016-07-01

Pseudo-two dimensional electrochemical thermal (P2D-ECT) model contains many parameters that are difficult to evaluate experimentally. Estimation of these model parameters is challenging due to computational cost and the transient model. Due to lack of complete physical understanding, this issue gets aggravated at extreme conditions like low temperature (LT) operations. This paper presents a Bayesian calibration framework for estimation of the P2D-ECT model parameters. The framework uses a matrix variate Gaussian process representation to obtain a computationally tractable formulation for calibration of the transient model. Performance of the framework is investigated for calibration of the P2D-ECT model across a range of temperatures (333 Ksbnd 263 K) and operating protocols. In the absence of complete physical understanding, the framework also quantifies structural uncertainty in the calibrated model. This information is used by the framework to test validity of the new physical phenomena before incorporation in the model. This capability is demonstrated by introducing temperature dependence on Bruggeman's coefficient and lithium plating formation at LT. With the incorporation of new physics, the calibrated P2D-ECT model accurately predicts the cell voltage with high confidence. The accurate predictions are used to obtain new insights into the low temperature lithium ion cell behavior.

Predicting temperature drop rate of mass concrete during an initial cooling period using genetic programming

NASA Astrophysics Data System (ADS)

Bhattarai, Santosh; Zhou, Yihong; Zhao, Chunju; Zhou, Huawei

2018-02-01

Thermal cracking on concrete dams depends upon the rate at which the concrete is cooled (temperature drop rate per day) within an initial cooling period during the construction phase. Thus, in order to control the thermal cracking of such structure, temperature development due to heat of hydration of cement should be dropped at suitable rate. In this study, an attempt have been made to formulate the relation between cooling rate of mass concrete with passage of time (age of concrete) and water cooling parameters: flow rate and inlet temperature of cooling water. Data measured at summer season (April-August from 2009 to 2012) from recently constructed high concrete dam were used to derive a prediction model with the help of Genetic Programming (GP) software “Eureqa”. Coefficient of Determination (R) and Mean Square Error (MSE) were used to evaluate the performance of the model. The value of R and MSE is 0.8855 and 0.002961 respectively. Sensitivity analysis was performed to evaluate the relative impact on the target parameter due to input parameters. Further, testing the proposed model with an independent dataset those not included during analysis, results obtained from the proposed GP model are close enough to the real field data.

Method of preparing high-temperature-stable thin-film resistors

DOEpatents

Raymond, L.S.

1980-11-12

A chemical vapor deposition method for manufacturing tungsten-silicide thin-film resistors of predetermined bulk resistivity and temperature coefficient of resistance (TCR) is disclosed. Gaseous compounds of tungsten and silicon are decomposed on a hot substrate to deposit a thin-film of tungsten-silicide. The TCR of the film is determined by the crystallinity of the grain structure, which is controlled by the temperature of deposition and the tungsten to silicon ratio. The bulk resistivity is determined by the tungsten to silicon ratio. Manipulation of the fabrication parameters allows for sensitive control of the properties of the resistor.

Method of preparing high-temperature-stable thin-film resistors

DOEpatents

Raymond, Leonard S.

1983-01-01

A chemical vapor deposition method for manufacturing tungsten-silicide thin-film resistors of predetermined bulk resistivity and temperature coefficient of resistance (TCR). Gaseous compounds of tungsten and silicon are decomposed on a hot substrate to deposit a thin-film of tungsten-silicide. The TCR of the film is determined by the crystallinity of the grain structure, which is controlled by the temperature of deposition and the tungsten to silicon ratio. The bulk resistivity is determined by the tungsten to silicon ratio. Manipulation of the fabrication parameters allows for sensitive control of the properties of the resistor.

Paramagnetic centers in two phases of manganese-doped lanthanum gallate

NASA Astrophysics Data System (ADS)

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

2009-05-01

An EPR study of two phases of manganese-doped lanthanum gallate (with a first-order structural transition occurring at 430 K) has revealed Gd3+, Fe3+, and Mn4+ centers at room temperature and 438 K. The parameters of spin Hamiltonians are determined for the Gd3+, Fe3+, and Mn4+ rhombohedral centers in the high-temperature phase (with no other centers found here) and for the monoclinic center Gd3+ in the low-temperature phase. Both in the orthorhombic and in the rhombohedral phase, crystallographic twins (or ferroelastic domains) are observed.

Thermomicrocapillaries as temperature biosensors in single cells

NASA Astrophysics Data System (ADS)

Herth, Simone; Giesguth, Miriam; Wedel, Waldemar; Reiss, Günther; Dietz, Karl-Josef

2013-03-01

Temperature is an important physical parameter in biology and its deviation from optimum can cause damage in biosystems. Thermocouples based on the Seebeck effect can be structured on glass microcapillaries to obtain thermomicrocapillaries (TMCs) usable in a micromanipulation setup. The suitability of the setup was proven by monitoring the temperature increase upon illumination of leaves and single cells following insertion of the TMC. The increase was 1.5 K in green tissue and 0.75 K in white leaf sections due to lower absorption. In single cells of trichomes, the increase was 0.5 K due to heat dissipation to the surrounding air.

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

Tyson, T. A.; Gao, W.; Chen, Y. -S.

Solar cells based on hybrid perovskites have shown high efficiency while possessing simple processing methods. To gain a fundamental understanding of their properties on an atomic level, we investigate single crystals of CH 3NH 3PbI 3 with a narrow transition (~5 K) near 327 K. Temperature dependent structural measurements reveal a persistent tetragonal structure with smooth changes in the atomic displacement parameters (ADPs) on crossing T*. We show that the ADPs for I ions yield extended flat regions in the potential wells consistent with the measured large thermal expansion parameter. Molecular dynamics simulations reveal that this material exhibits significant asymmetriesmore » in the Pb-I pair distribution functions. We also show that the intrinsically enhanced freedom of motion of the iodine atoms enables large deformations. This flexibility (softness) of the atomic structure results in highly localized atomic relaxation about defects and hence accounts for both the high carrier mobility as well as the structural instability.« less

DFT investigations on mechanical stability, electronic structure and magnetism in Co2TaZ (Z = Al, Ga, In) heusler alloys

NASA Astrophysics Data System (ADS)

Khandy, Shakeel Ahmad; Gupta, Dinesh C.

2017-12-01

Ferromagnetic Heusler compounds have vast and imminent applications for novel devices, smart materials thanks to density functional theory (DFT) based simulations, which have scored out a new approach to study these materials. We forecast the structural stability of Co2TaZ alloys on the basis of total energy calculations and mechanical stability criteria. The elastic constants, robust spin-polarized ferromagnetism and electron densities in these half-metallic alloys are also discussed. The observed structural aspects calculated to predict the stability and equilibrium lattice parameters agree well with the experimental results. The elastic parameters like elastic constants, bulk, Young’s and shear moduli, poison’s and Pugh ratios, melting temperatures, etc have been put together to establish their mechanical properties. The elaborated electronic band structures along with indirect band gaps and spin polarization favour the application of these materials in spintronics and memory device technology.

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly.

PubMed

Fonseca, Pedro; Romano, Flavio; Schreck, John S; Ouldridge, Thomas E; Doye, Jonathan P K; Louis, Ard A

2018-04-07

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to parametrize a coarser kinetic model that can reach the time and length scales needed to study the assembly mechanisms of these structures. We test the model by performing a detailed study of the assembly pathways for a two-dimensional target structure made up of 334 unique strands each of which are 42 nucleotides long. Without adjustable parameters, the model reproduces a critical temperature for the formation of the assembly that is close to the temperature at which assembly first occurs in experiments. Furthermore, the model allows us to investigate in detail the nucleation barriers and the distribution of critical nucleus shapes for the assembly of a single target structure. The assembly intermediates are compact and highly connected (although not maximally so), and classical nucleation theory provides a good fit to the height and shape of the nucleation barrier at temperatures close to where assembly first occurs.

Improving Self-Assembly by Varying the Temperature Periodically with Time

NASA Astrophysics Data System (ADS)

Raz, Oren; Jarzynski, Christopher

Self-assembly (SA) is the process by which basic components organize into a larger structure without external guidance. These processes are common in Nature, and also have technological applications, e.g. growing a crystal with a specific structure. So far, artificial SA processes have been designed mostly using diffusive building blocks with high specificity and directionality. The formation of the self-assembled structures is then driven by free-energy minimization into a thermodynamically stable state. In an alternative approach to SA, macroscopic parameters such as temperature, pressure, pH, magnetic field etc., are varied periodically with time. In this case, the SA structures are the stable periodic states of the driven system. Currently there are no design principles for periodically driven SA, other than in the limits of fast or weak driving. We present guiding ideas for self-assembly under periodic driving. As an example, we show a particular case in which self-assembly errors can be dramatically reduced by varying a system's temperature periodically with time. James S. McDonnell Foundation, and the US National Science Foundation: DMR-1506969.

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

Multi-scale coarse-graining for the study of assembly pathways in DNA-brick self-assembly

NASA Astrophysics Data System (ADS)

Fonseca, Pedro; Romano, Flavio; Schreck, John S.; Ouldridge, Thomas E.; Doye, Jonathan P. K.; Louis, Ard A.

2018-04-01

Inspired by recent successes using single-stranded DNA tiles to produce complex structures, we develop a two-step coarse-graining approach that uses detailed thermodynamic calculations with oxDNA, a nucleotide-based model of DNA, to parametrize a coarser kinetic model that can reach the time and length scales needed to study the assembly mechanisms of these structures. We test the model by performing a detailed study of the assembly pathways for a two-dimensional target structure made up of 334 unique strands each of which are 42 nucleotides long. Without adjustable parameters, the model reproduces a critical temperature for the formation of the assembly that is close to the temperature at which assembly first occurs in experiments. Furthermore, the model allows us to investigate in detail the nucleation barriers and the distribution of critical nucleus shapes for the assembly of a single target structure. The assembly intermediates are compact and highly connected (although not maximally so), and classical nucleation theory provides a good fit to the height and shape of the nucleation barrier at temperatures close to where assembly first occurs.

Vibration and bending analyses of magneto-electro-thermo-elastic sandwich microplates resting on viscoelastic foundation

NASA Astrophysics Data System (ADS)

Arefi, Mohammad; Zenkour, Ashraf M.

2017-08-01

Magneto-electro-thermo-mechanical bending and free vibration analysis of a sandwich microplate using strain gradient theory is expressed in this paper. The sandwich plate is made of a core and two integrated piezo-magnetic face sheets. The structure is subjected to electric and magnetic potentials, thermal loadings, and resting on Pasternak's foundation. Electro-magnetic equations are developed by considering the variation form of Hamilton's principle. The effects of important parameters of this problem such as applied electric and magnetic potentials, direct and shear parameter of foundation, three microlength-scale parameters, and two parameters of temperature rising are investigated on the vibration and bending results of problem.

The GUP and quantum Raychaudhuri equation

NASA Astrophysics Data System (ADS)

Vagenas, Elias C.; Alasfar, Lina; Alsaleh, Salwa M.; Ali, Ahmed Farag

2018-06-01

In this paper, we compare the quantum corrections to the Schwarzschild black hole temperature due to quadratic and linear-quadratic generalised uncertainty principle, with the corrections from the quantum Raychaudhuri equation. The reason for this comparison is to connect the deformation parameters β0 and α0 with η which is the parameter that characterises the quantum Raychaudhuri equation. The derived relation between the parameters appears to depend on the relative scale of the system (black hole), which could be read as a beta function equation for the quadratic deformation parameter β0. This study shows a correspondence between the two phenomenological approaches and indicates that quantum Raychaudhuri equation implies the existence of a crystal-like structure of spacetime.

Effect of breed and sperm concentration on the changes in structural, functional and motility parameters of ram-lamb spermatozoa during storage at 4 degrees C.

PubMed

Kasimanickam, Ramanathan; Kasimanickam, Vanmathy; Pelzer, Kevin D; Dascanio, John J

2007-09-01

The objectives of this study were (1) to determine the changes in structural, functional and motility parameters of ram-lamb semen stored at two different concentrations at 4 degrees C for 8 days in egg-yolk based extender and (2) to determine the effect of breed of ram-lambs on the changes in structural, functional and motility parameters of ram-lamb semen from different breeds stored at two different concentrations at 4 degrees C for 8 days in egg-yolk based extender. Two different concentrations suitable for laparoscopic and cervical insemination were employed in this experiment. A total of 14 ram-lambs (Polled Dorset-5, Suffolk-5, Katahdin-4) with satisfactory breeding potential were selected. Semen samples were collected by electro-ejaculation. Semen samples were extended to 50 and 200 million sperm per ml with a commercial egg yolk based extender (Triladyl, Minitube of America, Verona, WI, USA) at room temperature and were stored at 4 degrees C. The sperm DNA fragmentation index (DFI), percentages of high mitochondrial membrane potential (hMMP) and plasma membrane integrity (PMI) were assessed using flow cytometry as part of structural and functional parameters on Days 0, 1, 4, 6, and 8. A computer assisted sperm analyser (HTM-IVOS, Version 10.8, Hamilton Thorne Research, Beverly, MA, USA) was used to assess the sperm motility parameters on Days 0, 1, 4, 6, and 8. PROC MIXED procedure was used to determine the effect of days of storage, concentration and breed. The concentration and days of storage significantly affected the sperm structural, functional and motility parameters (P<0.0001). Significant concentration x days of storage interaction was found for all structural and functional parameters. There was a significant concentration x days of storage interaction for average path velocity, curvilinear velocity, straightness and linearity. Overall changes in the sperm structural, functional and sperm motility parameters over the storage period were less dramatic in the 200 x 10(6) ml(-1) concentration when compared to 50 x 10(6) ml(-1) concentration. The hMMP and total progressive motility were influenced by breed. In conclusion, the quality of structural, functional and motility parameters declined as days of storage were increased and the magnitude of changes in the parameters was less dramatic at the higher concentration.

Electronic structure, mechanical and thermodynamic properties of BaPaO3 under pressure.

PubMed

Khandy, Shakeel Ahmad; Islam, Ishtihadah; Gupta, Dinesh C; Laref, Amel

2018-05-07

Density functional theory (DFT)-based investigations have been put forward on the elastic, mechanical, and thermo-dynamical properties of BaPaO 3 . The pressure dependence of electronic band structure and other physical properties has been carefully analyzed. The increase in Bulk modulus and decrease in lattice constant is seen on going from 0 to 30 GPa. The predicted lattice constants describe this material as anisotropic and ductile in nature at ambient conditions. Post-DFT calculations using quasi-harmonic Debye model are employed to envisage the pressure-dependent thermodynamic properties like Debye temperature, specific heat capacity, Grüneisen parameter, thermal expansion, etc. Also, the computed Debye temperature and melting temperature of BaPaO 3 at 0 K are 523 K and 1764.75 K, respectively.

Possible higher order phase transition in large-N gauge theory at finite temperature

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

Nishimura, Hiromichi

2017-08-07

We analyze the phase structure of SU(¥) gauge theory at finite temperature using matrix models. Our basic assumption is that the effective potential is dominated by double-trace terms for the Polyakov loops. As a function of the temperature, a background field for the Polyakov loop, and a quartic coupling, it exhibits a universal structure: in the large portion of the parameter space, there is a continuous phase transition analogous to the third-order phase transition of Gross,Witten and Wadia, but the order of phase transition can be higher than third. We show that different confining potentials give rise to drastically differentmore » behavior of the eigenvalue density and the free energy. Therefore lattice simulations at large N could probe the order of phase transition and test our results. Critical« less

Earliest phases of star formation (EPoS). Dust temperature distributions in isolated starless cores

NASA Astrophysics Data System (ADS)

Lippok, N.; Launhardt, R.; Henning, Th.; Balog, Z.; Beuther, H.; Kainulainen, J.; Krause, O.; Linz, H.; Nielbock, M.; Ragan, S. E.; Robitaille, T. P.; Sadavoy, S. I.; Schmiedeke, A.

2016-07-01

Context. Stars form by the gravitational collapse of cold and dense molecular cloud cores. Constraining the temperature and density structure of such cores is fundamental for understanding the initial conditions of star formation. We use Herschel observations of the thermal far-infrared (FIR) dust emission from nearby and isolated molecular cloud cores and combine them with ground-based submillimeter continuum data to derive observational constraints on their temperature and density structure. Aims: The aim of this study is to verify the validity of a ray-tracing inversion technique developed to derive the dust temperature and density structure of nearby and isolated starless cores directly from the dust emission maps and to test if the resulting temperature and density profiles are consistent with physical models. Methods: We have developed a ray-tracing inversion technique that can be used to derive the temperature and density structure of starless cores directly from the observed dust emission maps without the need to make assumptions about the physical conditions. Using this ray-tracing inversion technique, we derive the dust temperature and density structure of six isolated starless molecular cloud cores from dust emission maps in the wavelengths range 100 μm-1.2 mm. We then employ self-consistent radiative transfer modeling to the density profiles derived with the ray-tracing inversion method. In this model, the interstellar radiation field (ISRF) is the only heating source. The local strength of the ISRF as well as the total extinction provided by the outer envelope are treated as semi-free parameters which we scale within defined limits. The best-fit values of both parameters are derived by comparing the self-consistently calculated temperature profiles with those derived by the ray-tracing method. Results: We confirm earlier results and show that all starless cores are significantly colder inside than outside, with central core temperatures in the range 7.5-11.9 K and envelope temperatures that are 2.4 - 9.6 K higher. The core temperatures show a strong negative correlation with peak column density which suggests that the thermal structure of the cores is dominated by external heating from the ISRF and shielding by dusty envelopes. We find that temperature profiles derived with the ray-tracing inversion method can be well-reproduced with self-consistent radiative transfer models if the cores have geometry that is not too complex and good data coverage with spatially resolved maps at five or more wavelengths in range between 100 μm and 1.2 mm. We also confirm results from earlier studies that found that the usually adopted canonical value of the total strength of the ISRF in the solar neighbourhood is incompatible with the most widely used dust opacity models for dense cores. However, with the data available for this study, we cannot uniquely resolve the degeneracy between dust opacity law and strength of the ISRF. Final T maps (FITS format) are only available at the CDS via anonymous ftp to http://cdsarc.u-strasbg.fr (http://130.79.128.5) or via http://cdsarc.u-strasbg.fr/cgi-bin/qcat?J/A+A/592/A61

Structure, magnetism and electronic properties in 3d-5d based double perovskite ({Sr_{1-x}} Y x )2FeIrO6

NASA Astrophysics Data System (ADS)

Kharkwal, K. C.; Pramanik, A. K.

2017-12-01

The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material (Sr1-x Y x )2FeIrO6 with x ≤slant 0.2 . With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr2FeIrO6 show antiferromagnetic type magnetic transition around 45 K however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr2FeIrO6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott’s variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in (Sr1-x Y x )2FeIrO6 is observed to reverse with x > 0.1 , which is believed to arise due to a change in the transition metal ionic state.

Structure, magnetism and electronic properties in 3d-5d based double perovskite ([Formula: see text]Y x )2FeIrO6.

PubMed

Kharkwal, K C; Pramanik, A K

2017-11-13

The 3d-5d based double perovskites are of current interest as they provide model systems to study the interplay between electronic correlation (U) and spin-orbit coupling (SOC). Here, we report detailed structural, magnetic and transport properties of doped double perovskite material ([Formula: see text]Y x ) 2 FeIrO 6 with [Formula: see text]. With substitution of Y, the system retains its original crystal structure but structural parameters change with x in nonmonotonic fashion. The magnetization data for Sr 2 FeIrO 6 show antiferromagnetic type magnetic transition around 45 K; however, a close inspection of the data indicates a weak magnetic phase transition around 120 K. No change of structural symmetry has been observed down to low temperature, although the lattice parameters show sudden changes around the magnetic transitions. Sr 2 FeIrO 6 shows an insulating behavior over the whole temperature range, which nevertheless does not change with Y substitution. The nature of charge conduction is found to follow thermally activated Mott's variable range hopping and power law behavior for parent and doped samples, respectively. Interestingly, evolution of structural, magnetic and transport behavior in ([Formula: see text]Y x ) 2 FeIrO 6 is observed to reverse with [Formula: see text], which is believed to arise due to a change in the transition metal ionic state.

H2 gas sensing properties of a ZnO/CuO and ZnO/CuO/Cu2O Heterostructures

NASA Astrophysics Data System (ADS)

Ababii, N.; Postica, V.; Hoppe, M.; Adelung, R.; Lupan, O.; Railean, S.; Pauporté, T.; Viana, B.

2017-03-01

The most important parameters of gas sensors are sensitivity and especially high selectivity to specific chemical species. To improve these parameters we developed sensor structures based on layered semiconducting oxides, namely CuO/Cu2O, CuO:Zn/Cu2O:Zn, NiO/ZnO. In this work, the ZnO/CuxO (where x = 1, 2) bi-layer heterostructure were grown via a simple synthesis from chemical solution (SCS) at relatively low temperatures (< 95 °C), representing a combination of layered n-type and p-type semiconducting oxides which are widely used as sensing material for gas sensors. The main advantages of the developed device structures are given by simplicity of the synthesis and technological cost-efficiency. Structural investigations showed high crystallinity of synthesized layers confirming the presence of zinc oxide nanostructures on the surface of the copper oxide film deposited on glass substrate. Structural changes in morphology of grown nanostructures induced by post-grown thermal annealing were observed by scanning electron microscopy (SEM) investigations, and were studied in detail. The influence of thermal annealing type on the optical properties was also investigated. As an example of practical applications, the ZnO/CuxO bi-layer heterojunctions and ZnO/CuO/Cu2O three-layered structures were integrated into sensor structures and were tested to different types of reducing gases at different operating temperatures (OPT), showing promising results for fabrication of selective gas sensors.

Laminated Thin Shell Structures Subjected to Free Vibration in a Hygrothermal Environment

NASA Technical Reports Server (NTRS)

Gotsis, Pascal K.; Guptill, James D.

1994-01-01

Parametric studies were performed to assess the effects of various parameters on the free-vibration behavior (natural frequencies) of (+/- theta)(sub 2) angle-ply, fiber composite, thin shell structures in a hygrothermal environment. Knowledge of the natural frequencies of structures is important in considering their response to various kinds of excitation, especially when structures and force systems are complex and when excitations are not periodic. The three dimensional, finite element structural analysis computer code CSTEM was used in the Cray YMP computer environment. The fiber composite shell was assumed to be cylindrical and made from T300 graphite fibers embedded in an intermediate-modulus, high-strength matrix. The following parameters were investigated: the length and the laminate thickness of the shell, the fiber orientation, the fiber volume fraction, the temperature profile through the thickness of the laminate, and laminates with different ply thicknesses. The results indicate that the fiber orientation and the length of the laminated shell had significant effects on the natural frequencies. The fiber volume fraction, the laminate thickness, and the temperature profile through the shell thickness had weak effects on the natural frequencies. Finally, the laminates with different ply thicknesses had an insignificant influence on the behavior of the vibrated laminated shell. Also, a single through-the-thickness, eight-node, three dimensional composite finite element analysis appears to be sufficient for investigating the free-vibration behavior of thin, composite, angle-ply shell structures.

Rietveld refined structural and room temperature vibrational properties of BaTiO3 doped La0.67Ba0.33MnO3 composites

NASA Astrophysics Data System (ADS)

Dar, M. A.; Sheikh, M. W.; Malla, M. S.; Varshney, Dinesh

2016-05-01

The composites of (1-x) La0.67Ba0.33MnO3 (LBMO) + xBaTiO3 (BTO) (x = 0, 0.25 and 1.0) were synthesized by conventional solid-state reaction method. Rietveld refinement was employed to characterize the structural information of the prepared ceramics. The result of the Rietveld refinement of X-ray powder diffraction of La0.67Ba0.33MnO3 and BaTiO3 shows that these compounds crystallize in rhombohedral (R3c) and tetragonal (P4mm), respectively. The structural parameters and the reliability factors for the LBMO-BTO composite ceramics were successfully determined by the Rietveld refinement. At room temperature, Raman active phonon modes predicted by the group theory were observed only in BaTiO3 and composite sample. Pure LBMO does not show any Raman active Phonon mode at room temperature.

17O NMR Investigation of Water Structure and Dynamics

PubMed Central

Keeler, Eric G.; Michaelis, Vladimir K.; Griffin, Robert G.

2017-01-01

The structure and dynamics of the bound water in barium chlorate monohydrate were studied with 17O nuclear magnetic resonance (NMR) spectroscopy in samples that are stationary and spinning at the magic-angle in magnetic fields ranging from 14.1 to 21.1 T. 17O NMR parameters of the water were determined, and the effects of torsional oscillations of the water molecule on the 17O quadrupolar coupling constant (CQ) were delineated with variable temperature MAS NMR. With decreasing temperature and reduction of the librational motion, we observe an increase in the experimentally measured CQ explaining the discrepancy between experiments and predictions from density functional theory. In addition, at low temperatures and in the absence of 1H decoupling, we observe a well-resolved 1H–17O dipole splitting in the spectra, which provides information on the structure of the H2O molecule. The splitting arises because of the homogeneous nature of the coupling between the two 1H–17O dipoles and the 1H–1H dipole. PMID:27454747

Microstructural changes in NiFe2O4 ceramics prepared with powders derived from different fuels in sol-gel auto-combustion technique

NASA Astrophysics Data System (ADS)

Chauhan, Lalita; Bokolia, Renuka; Sreenivas, K.

2016-05-01

Structural properties of Nickel ferrite (NiFe2O4) ceramics prepared from powders derived from sol gel auto-combustion method using different fuels (citric acid, glycine and Dl-alanine) are compared. Changes in the structural properties at different sintering temperatures are investigated. X-ray diffraction (XRD) confirms the formation of single phase material with cubic structure. Ceramics prepared using the different powders obtained from different fuels show that that there are no significant changes in lattice parameters. However increasing sintering temperatures show significant improvement in density and grain size. The DL-alanine fuel is found to be the most effective fuel for producing NIFe2O4 powders by the sol-gel auto combustion method and yields highly crystalline powders in the as-burnt stage itself at a low temperature (80 °C). Subsequent use of the powders in ceramic manufacturing produces dense NiFe2O4 ceramics with a uniform microstructure and a large grain size.

Ab initio Computations of the Electronic, Mechanical, and Thermal Properties of Ultra High Temperature Ceramics (UHTC) ZrB2 and HfB2

NASA Technical Reports Server (NTRS)

Lawson, John W.; Bauschlicher, Charles W.; Daw, Murray

2011-01-01

Refractory materials such as metallic borides, often considered as ultra high temperature ceramics (UHTC), are characterized by high melting point, high hardness, and good chemical inertness. These materials have many applications which require high temperature materials that can operate with no or limited oxidation. Ab initio, first principles methods are the most accurate modeling approaches available and represent a parameter free description of the material based on the quantum mechanical equations. Using these methods, many of the intrinsic properties of these material can be obtained. We performed ab initio calculations based on density functional theory for the UHTC materials ZrB2 and HfB2. Computational results are presented for structural information (lattice constants, bond lengths, etc), electronic structure (bonding motifs, densities of states, band structure, etc), thermal quantities (phonon spectra, phonon densities of states, specific heat), as well as information about point defects such as vacancy and antisite formation energies.