Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples

NASA Astrophysics Data System (ADS)

Chen, Zhangqi; Liu, Zi-Kui; Zhao, Ji-Cheng

2018-05-01

Diffusion coefficients of seven binary systems (Ti-Mo, Ti-Nb, Ti-Ta, Ti-Zr, Zr-Mo, Zr-Nb, and Zr-Ta) at 1200 °C, 1000 °C, and 800 °C were experimentally determined using three Ti-Mo-Nb-Ta-Zr diffusion multiples. Electron probe microanalysis (EPMA) was performed to collect concentration profiles at the binary diffusion regions. Forward simulation analysis (FSA) was then applied to extract both impurity and interdiffusion coefficients in Ti-rich and Zr-rich part of the bcc phase. Excellent agreements between our results and most of the literature data validate the high-throughput approach combining FSA with diffusion multiples to obtain a large amount of systematic diffusion data, which will help establish the diffusion (mobility) databases for the design and development of biomedical and structural Ti alloys.

Experimental Determination of Impurity and Interdiffusion Coefficients in Seven Ti and Zr Binary Systems Using Diffusion Multiples

NASA Astrophysics Data System (ADS)

Chen, Zhangqi; Liu, Zi-Kui; Zhao, Ji-Cheng

2018-07-01

Diffusion coefficients of seven binary systems (Ti-Mo, Ti-Nb, Ti-Ta, Ti-Zr, Zr-Mo, Zr-Nb, and Zr-Ta) at 1200 °C, 1000 °C, and 800 °C were experimentally determined using three Ti-Mo-Nb-Ta-Zr diffusion multiples. Electron probe microanalysis (EPMA) was performed to collect concentration profiles at the binary diffusion regions. Forward simulation analysis (FSA) was then applied to extract both impurity and interdiffusion coefficients in Ti-rich and Zr-rich part of the bcc phase. Excellent agreements between our results and most of the literature data validate the high-throughput approach combining FSA with diffusion multiples to obtain a large amount of systematic diffusion data, which will help establish the diffusion (mobility) databases for the design and development of biomedical and structural Ti alloys.

Interdiffusion and reaction between pure magnesium and aluminum alloy 6061

DOE PAGES

Kammerer, C. C.; Fu, Mian; Zhou, Le; ...

2015-06-01

Using solid-to-solid couples investigation, this study characterized the reaction products evolved and quantified the diffusion kinetics when pure Mg bonded to AA6061 is subjected to thermal treatment at 300°C for 720 hours, 350°C for 360 hours, and 400°C for 240 hours. Characterization techniques include optical microscopy, scanning electron microscopy with X-ray energy dispersive spectroscopy, and transmission electron microscopy. Parabolic growth constants were determined for γ-Mg 17Al 12, β-Mg 2Al 3, and the elusive ε-phase. Similarly, the average effective interdiffusion coefficients of major constituents were calculated for Mg (ss), γ-Mg 17Al 12, β-Mg 2Al 3, and AA6061. The activation energies andmore » pre-exponential factors for both parabolic growth constant and average effective interdiffusion coefficients were computed using the Arrhenius relationship. The activation energy for growth of γ-Mg 17Al 12 was significantly higher than that for β-Mg 2Al 3 while the activation energy for interdiffusion of γ-Mg 17Al 12 was only slightly higher than that for β-Mg 2Al 3. As a result, comparisons are made between the results of this study and those of diffusion studies between pure Mg and pure Al to examine the influence of alloying additions in AA6061.« less

X-ray reflectivity measurement of interdiffusion in metallic multilayers during rapid heating

PubMed Central

Liu, J. P.; Kirchhoff, J.; Zhou, L.; Zhao, M.; Grapes, M. D.; Dale, D. S.; Tate, M. D.; Philipp, H. T.; Gruner, S. M.; Weihs, T. P.; Hufnagel, T. C.

2017-01-01

A technique for measuring interdiffusion in multilayer materials during rapid heating using X-ray reflectivity is described. In this technique the sample is bent to achieve a range of incident angles simultaneously, and the scattered intensity is recorded on a fast high-dynamic-range mixed-mode pixel array detector. Heating of the multilayer is achieved by electrical resistive heating of the silicon substrate, monitored by an infrared pyrometer. As an example, reflectivity data from Al/Ni heated at rates up to 200 K s−1 are presented. At short times the interdiffusion coefficient can be determined from the rate of decay of the reflectivity peaks, and it is shown that the activation energy for interdiffusion is consistent with a grain boundary diffusion mechanism. At longer times the simple analysis no longer applies because the evolution of the reflectivity pattern is complicated by other processes, such as nucleation and growth of intermetallic phases. PMID:28664887

X-ray reflectivity measurement of interdiffusion in metallic multilayers during rapid heating

DOE PAGES

Liu, J. P.; Kirchhoff, J.; Zhou, L.; ...

2017-06-15

A technique for measuring interdiffusion in multilayer materials during rapid heating using X-ray reflectivity is described. In this technique the sample is bent to achieve a range of incident angles simultaneously, and the scattered intensity is recorded on a fast high-dynamic-range mixed-mode pixel array detector. Heating of the multilayer is achieved by electrical resistive heating of the silicon substrate, monitored by an infrared pyrometer. As an example, reflectivity data from Al/Ni heated at rates up to 200 K s -1 are presented. At short times the interdiffusion coefficient can be determined from the rate of decay of the reflectivity peaks,more » and it is shown that the activation energy for interdiffusion is consistent with a grain boundary diffusion mechanism. At longer times the simple analysis no longer applies because the evolution of the reflectivity pattern is complicated by other processes, such as nucleation and growth of intermetallic phases.« less

Soret forced Rayleigh scattering instrument for simultaneous detection of two-wavelength signals to measure Soret coefficient and thermodiffusion coefficient in ternary mixtures

NASA Astrophysics Data System (ADS)

Matsuura, H.; Nagasaka, Y.

2018-02-01

We describe an instrument for the measurement of the Soret and thermodiffusion coefficients in ternary systems based on the transient holographic grating technique, which is called Soret forced Rayleigh scattering (SFRS) or thermal diffusion forced Rayleigh scattering (TDFRS). We integrated the SFRS technique and the two-wavelength detection technique, which enabled us to obtain two different signals to determine the two independent Soret coefficients and thermodiffusion coefficients in ternary systems. The instrument has been designed to read the mass transport simultaneously by two-wavelength lasers with wavelengths of λ = 403 nm and λ = 639 nm. The irradiation time of the probing lasers is controlled to reduce the effect of laser absorption to the sample with dye (quinizarin), which is added to convert the interference pattern of the heating laser of λ = 532 nm to the temperature grating. The result of the measurement of binary benchmark mixtures composed of 1,2,3,4-tetrahydronaphthalene (THN), isobutylbenzene (IBB), and n-dodecane (nC12) shows that the simultaneous two-wavelength observation of the Soret effect and the mass diffusion are adequately performed. To evaluate performance in the measurement of ternary systems, we carried out experiments on the ternary benchmark mixtures of THN/IBB/nC12 with the mass fractions of 0.800/0.100/0.100 at a temperature of 298.2 K. The Soret coefficient and thermodiffusion coefficient agreed with the ternary benchmark values within the range of the standard uncertainties (23% for the Soret coefficient of THN and 30% for the thermodiffusion coefficient of THN).

Measurement of Soret coefficients in a ternary mixture of toluene-methanol-cyclohexane in convection-free environment

NASA Astrophysics Data System (ADS)

Mialdun, A.; Ryzhkov, I.; Khlybov, O.; Lyubimova, T.; Shevtsova, V.

2018-01-01

We report on the measurement of Soret (ST) coefficients in the ternary system toluene (T)-methanol (M)-cyclohexane (Ch) onboard the International Space Station in the experiment selectable optical diagnostic instrument/DCMIX2 (Diffusion Coefficients Measurement in ternary mIXtures). Nine experiments were conducted in the range of mean temperatures between 298.15 K and 306.15 K in the mixture with composition 0.62 (T)-0.31 (M)-0.07 (Ch) in mass fractions. A linear dependence of the Soret coefficients on temperature was established for the ternary mixture. It has also been found that, over considered range of mean temperatures, the Soret coefficients of toluene are small and positive, while the Soret coefficients for methanol are negative and, at least, two times larger. The present work also presents a comprehensive study of possible methodologies to process raw data from the Soret experiment in ternary mixtures. All the experiments were processed by seven different schemes and two of them were identified as the most reliable. We also investigate the error propagation and explain the reasons for the discrepancy of the results obtained by different schemes.

Thermochemical and kinetic aspects of the sulfurization of Cu-Sb and Cu-Bi thin films

NASA Astrophysics Data System (ADS)

Colombara, Diego; Peter, Laurence M.; Rogers, Keith D.; Hutchings, Kyle

2012-02-01

CuSbS2 and Cu3BiS3 are being investigated as part of a search for new absorber materials for photovoltaic devices. Thin films of these chalcogenides were produced by conversion of stacked and co-electroplated metal precursor layers in the presence of elemental sulfur vapour. Ex-situ XRD and SEM/EDS analyses of the processed samples were employed to study the reaction sequence with the aim of achieving compact layer morphologies. A new “Time-Temperature-Reaction” (TTR) diagram and modified Pilling-Bedworth coefficients have been introduced for the description and interpretation of the reaction kinetics. For equal processing times, the minimum temperature required for CuSbS2 to appear is substantially lower than for Cu3BiS3, suggesting that interdiffusion across the interfaces between the binary sulfides is a key step in the formation of the ternary compounds. The effects of the heating rate and sulfur partial pressure on the phase evolution as well as the potential losses of Sb and Bi during the processes have been investigated experimentally and the results related to the equilibrium pressure diagrams obtained via thermochemical computation.

Fabrication of Ternary AgPdAu Alloy Nanoparticles on c-Plane Sapphire by the Systematical Control of Film Thickness and Deposition Sequence

NASA Astrophysics Data System (ADS)

Kunwar, Sundar; Pandey, Puran; Sui, Mao; Bastola, Sushil; Lee, Jihoon

2018-06-01

In this work, a systematic study on the fabrication of ternary AgPdAu alloy nanoparticles (NPs) on c-plane sapphire (0001) is presented and the corresponding structural and optical characteristics are demonstrated. The metallic trilayers of various thicknesses and deposition orders are annealed in a controlled manner (400 °C to 900 °C) to induce the solid-state dewetting that yields the various structural configurations of AgPdAu alloy NPs. The dewetting of relatively thicker trilayers (15 nm) is gradually progressed with void nucleation, growth, and coalescence, isolated NP formation, and shape transformation, along with the temperature control. For 6 nm thickness, owing to the sufficient dewetting of trilayers along with enhanced diffusion, dense and small spherical alloy NPs are fabricated. Depending on the specific growth condition, the surface diffusion and interdiffusion of metal atoms, surface and interface energy minimization, Rayleigh instability, and equilibrium configuration are correlated to describe the fabrication of ternary alloy NPs. Ternary alloy NPs exhibit morphology-dependent ultraviolet-visible-near infrared (UV-VIS-NIR) reflectance properties such as the inverse relationship of average reflectance with the surface coverage, absorption enhancement in specific regions, and reflectance maxima in UV and NIR regions. In addition, Raman spectra depict the six active phonon modes of sapphires and their intensity and position modulation by the alloy NPs.

Interdiffusion between the L1(2) trialuminides Al66Ti25Mn9 and Al67Ti25Cr8

NASA Technical Reports Server (NTRS)

Kumar, K. S.; Whittenberger, J. D.

1992-01-01

Concentration-distance profiles obtained from Al66Ti25Mn9/Al67Ti25Cr8 diffusion couples are used to determine the interdiffusion coeffients in the temperature range 1373-1073 K. The couples are treated as pseudobinaries, and the diffusion coefficients are determined using the Matano approach. The results are then used to compute the activation energies for diffusion, and a comparison is made with some existing data for the activation energy for creep of Al22Ti8Fe3.

Overlay coating degradation by simultaneous oxidation and coating/substrate interdiffusion. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Nesbitt, J. A.

1983-01-01

Degradation of NiCrAlZr overlay coatings on various NiCrAl substrates was examined after cyclic oxidation. Concentration/distance profiles were measured in the coating and substrate after various oxidation exposures at 1150 C. For each stubstrate, the Al content in the coating decreased rapidly. The concentration/distance profiles, and particularly that for Al, reflected the oxide spalling resistance of each coated substrate. A numerical model was developed to simulate diffusion associated with overlay-coating degradation by oxidation and coating/substrate interdiffusion. Input to the numerical model consisted of the Cr and Al content of the coating and substrate, ternary diffusivities, and various oxide spalling parameters. The model predicts the Cr and Al concentrations in the coating and substrate after any number of oxidation/thermal cycles. The numerical model also predicts coating failure based on the ability of the coating to supply sufficient Al to the oxide scale. The validity of the model was confirmed by comparison of the predicted and measured concentration/distance profiles. The model was subsequently used to identify the most critical system parameters affecting coating life.

Interdiffusion in a ? superlattice: an exploratory nuclear magnetic resonance study

NASA Astrophysics Data System (ADS)

Li, Y.; Ross, J. W.; McCausland, M. A. H.; Bunbury, D. St. P.; Ward, R. C. C.; Wells, M. R.

1997-07-01

We have carried out an exploratory NMR study of interdiffusion at interfaces between epitaxially grown laminae of rare-earth metals. The system investigated was a terbium - yttrium superlattice grown by molecular-beam epitaxy at 0953-8984/9/29/015/img10. The NMR spectrum of 0953-8984/9/29/015/img11 shows satellites associated with Tb ions with different numbers of Y neighbours and therefore provides information about the yttrium concentration profile resulting from interdiffusion. Our data are interpreted in terms of a model based on thermally activated diffusion and which allows for the progressive decrease in 0953-8984/9/29/015/img12, the RMS diffusion length, from the lowest to the highest interface. The diffusion coefficient, provisionally assumed to be independent of composition, is found to be 0953-8984/9/29/015/img13 at the growth temperature.

Interdiffusion and stress development in single-crystalline Pd/Ag bilayers

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

Noah, Martin A., E-mail: m.noah@is.mpg.de; Flötotto, David; Wang, Zumin

Interdiffusion and stress evolution in single-crystalline Pd/single-crystalline Ag thin films were investigated by Auger electron spectroscopy sputter-depth profiling and in-situ X-ray diffraction, respectively. The concentration-dependent chemical diffusion coefficient, as well as the impurity diffusion coefficient of Ag in Pd could be determined in the low temperature range of 356 °C–455 °C. As a consequence of the similarity of the strong concentration-dependences of the intrinsic diffusion coefficients, the chemical diffusion coefficient varies only over three orders of magnitude over the whole composition range, despite the large difference of six orders of magnitude of the self-diffusion coefficients of Ag in Ag and Pd inmore » Pd. It is shown that the Darken-Manning treatment should be adopted for interpretation of the experimental data; the Nernst-Planck treatment yielded physically unreasonable results. Apart from the development of compressive thermal stress, the development of stress in both sublayers separately could be ascribed to compositional stress (tensile in the Ag sublayer and compressive in the Pd sublayer) and dominant relaxation processes, especially in the Ag sublayer. The effect of these internal stresses on the values determined for the diffusion coefficients is shown to be negligible.« less

The effect of polymer architecture on the interdiffusion in thin polymer films

NASA Astrophysics Data System (ADS)

Caglayan, Ayse; Yuan, Guangcui; Satija, Sushil K.; Uhrig, David; Hong, Kunlun; Akgun, Bulent

Branched polymer chains have been traditionally used in industrial applications as additives. Recently they have found applications in electrochromic displays, lithography, biomedical coatings and targeting multidrug resistant bacteria. In some of these applications where they are confined in thin layers, it is important to understand the relation between the mobility and polymer chain architecture to optimize the processing conditions. Earlier interdiffusion measurements on linear and cyclic polymer chains demonstrated the key role of chain architecture on mobility. We have determined the vertical diffusion coefficients of the star polystyrene chains in thin films as a function of number of polymer arms, molecular weight per arm, and film thickness using neutron reflectivity (NR) and compare our results with linear chains of identical total molecular weight. Bilayer samples of 4-arm and 8-arm protonated polystyrenes (hPS) and deuterated polystyrenes (dPS) were used to elucidate the effect of polymer chain architecture on polymer diffusion. NR measurements indicate that the mobility of polymer chains in thin films get faster as the number of polymer arms increases and the arm molecular weight decreases. Both star polymers showed faster interdiffusion compared to their linear analog. Diffusion coefficient of branched PS chains has a weak dependence on the film thickness.

Inter-Diffusion in the Presence of Free Convection

NASA Technical Reports Server (NTRS)

Gupta, Prabhat K.

1999-01-01

Because of their technological importance, establishment of the precise values of interdiffusion coefficients is important in multicomponent fluid systems. Such values are not available because diffusion is influenced by free convection due to compositionally induced density variations. In this project, earth based diffusion experiments are being performed in a viscous fluid system PbO-SiO2 at temperatures between 500-1000 C. This system is chosen because it shows a large variation in density with small changes in composition and is expected to show a large free convection effect. Infinite diffusion couples at different temperatures and times are being studied with different orientations with respect to gravity. Composition fields will be measured using an Electron Microprobe Analyzer and will be compared with the results of a complementary modeling study to extract the values of the true diffusion coefficient from the measured diffusion profiles.

Experimental Determination of Fe-Mg Interdiffusion Coefficients in Orthopyroxene Using Pulsed Laser Ablation and Nanoscale Thin Films

NASA Astrophysics Data System (ADS)

Ter Heege, J. H.; Dohmen, R.; Becker, H.; Chakraborty, S.

2006-12-01

Fe-Mg interdiffusion in silicate minerals is of interest in petrological studies for determining the closure temperature of geothermometers and for determining cooling rates from compositional profiles. It is also relevant for studies of the physical properties of silicates, such as rheology or electrical conductivity, because knowledge of its dependence on oxygen fugacity can aid in the understanding of point defect chemistry. Compositionally zoned orthopyroxenes are common in meteorites, mantle rocks, lower crustal rocks and a variety of plutonic and volcanic igneous rocks. However, experimental difficulties have precluded direct determination of Fe-Mg diffusion rates in orthopyroxenes so far and the available information comes from (1) Mg tracer diffusion coefficients obtained from isotope tracer studies using enriched ^{25}MgO films [1], (2) calculations of interdiffusion rates based on the (diffusion-controlled) order-disorder kinetics measured in orthopyroxene [2], and (3) indirect estimates from the comparison of diffusion widths in coexisting garnets and olivines, in which Fe-Mg diffusion rates are relatively well known [e.g., 3]. We have directly measured Fe-Mg interdiffusion coefficients parallel to the [001] direction in two natural orthopyroxene single crystals (approximately En95Fs5 and En90Fs10) using diffusion couples consisting of an olivine thin film (Fo30Fa70, typically 20 - 50 nm thick) deposited under vacuum on pre-heated, polished and oriented pyroxene single crystals using a pulsed laser ablation deposition technique. Samples were annealed for 4 - 337 hours at 800 - 1100 °C under atmospheric pressure in a continuous flow of CO + CO2 to control the oxygen fugacity between 10-16 and 10^{-12} bar within the stability field of pyroxene. Film thickness and compositional profiles were measured using Rutherford backscattering Spectroscopy (RBS) on reference and annealed samples, and Fe concentration depth profiles were extracted from the RBS spectra and fitted numerically. At an oxygen fugacity of 10-16 bar, Fe-Mg interdiffusion coefficients in the Fs richer orthopyroxene vary between 4.10^{-22} m2/s and 2.10^{-20} m2/s for temperatures between 800 and 1000°C. Diffusion coefficients decrease by a factor of ~ 4 with decreasing oxygen fugacity between 10^{-12} and 10-16 bar at 1000 °C. Comparison of our data with other Fe-Mg diffusion data shows that these diffusion coefficients are (1) similar to Mg tracer diffusion coefficients measured in orthopyroxene at somewhat more reducing (e.g. fO2 = 10-16 to 10^{-19} bar) conditions at the same temperatures [1], (2) similar to Mg tracer diffusion in garnets measured at higher pressures of 10 kbar at an oxygen fugacity corresponding to the C-O equilibrium in graphite present systems [4], and (3) slower than Fe-Mg diffusion rates in olivine by a factor of ~10 at the same oxygen fugacities [5]. Further experiments to quantify the dependence on composition, temperature and oxygen fugacity are in progress. References: [1] Schwandt et al. (1998), Contr. Mineral. Petrol. 130: 390-396; [2] Ganguly and Tazzoli (1994), Am. Mineral. 79: 930-937; [3] Smith and Barron (1991), Am. Mineral. 76: 1950-1963; [4] Ganguly et al. (1998), Contr. Mineral. Petrol. 131: 171-180; [5] Chakraborty (1997), J. Geoph. Res. 102: 12317-12331.

Interdiffusion and reactions between U-Mo and Zr at 650 °C as a function of time

NASA Astrophysics Data System (ADS)

Park, Y.; Keiser, D. D.; Sohn, Y. H.

2015-01-01

Development of monolithic U-Mo alloy fuel (typically U-10 wt.%Mo) for the Reduced Enrichment for Research and Test Reactors (RERTR) program entails a use of Zr diffusion barrier to eliminate the interdiffusion-reactions between the fuel alloy and Al-alloy cladding. The application of Zr barrier to the U-Mo fuel system requires a co-rolling process that utilizes a soaking temperature of 650 °C, which represents the highest temperature the fuel system is exposed to during both fuel manufacturing and reactor application. Therefore, in this study, development of phase constituents, microstructure and diffusion kinetics of U-10 wt.%Mo and Zr was examined using solid-to-solid diffusion couples annealed at 650 °C for 240, 480 and 720 h. Phase constituents and microstructural development were analyzed by scanning electron microscopy (SEM) and transmission electron microscopy (TEM). Concentration profiles were mapped as diffusion paths on the isothermal ternary phase diagram. Within the diffusion zone, single-phase layers of β-Zr and β-U were observed along with a discontinuous layer of Mo2Zr between the β-Zr and β-U layers. In the vicinity of Mo2Zr phase, islands of α-Zr phases were also found. In addition, acicular α-Zr and U6Zr3Mo phases were observed within the γ-U(Mo) terminal alloy. Growth rate of the interdiffusion-reaction zone was determined to be 7.75 (± 5.84) × 10-16 m2/s at 650 °C, however with an assumption of a certain incubation period.

On the accuracy of the interdiffusion coefficient measurements of high-temperature binary mixtures under ISS conditions

NASA Astrophysics Data System (ADS)

Saez, Núria; Ruiz, Xavier; Pallarés, Jordi; Shevtsova, Valentina

2013-04-01

An accelerometric record from the IVIDIL experiment (ESA Columbus module) has exhaustively been studied. The analysis involved the determination of basic statistical properties as, for instance, the auto-correlation and the power spectrum (second-order statistical analyses). Also, and taking into account the shape of the associated histograms, we address another important question, the non-Gaussian nature of the time series using the bispectrum and the bicoherence of the signals. Extrapolating the above-mentioned results, a computational model of a high-temperature shear cell has been performed. A scalar indicator has been used to quantify the accuracy of the diffusion coefficient measurements in the case of binary mixtures involving photovoltaic silicon or liquid Al-Cu binary alloys. Three different initial arrangements have been considered, the so-called interdiffusion, centred thick layer and the lateral thick layer. Results allow us to conclude that, under the conditions of the present work, the diffusion coefficient is insensitive to the environmental conditions, that is to say, accelerometric disturbances and initial shear cell arrangement.

Diffusion coefficients in systems with inclusion compounds. 1. alpha. -Cyclodextrin-L-phenylalanine-water at 25 degree C

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

Paduano, L.; Sartorio, R.; Vitagliano, V.

Diffusion coefficients in the ternary system {alpha}-cyclodextrin (at one concentration)-L-phenylalanine (at four concentrations)-water have been measured by using the Gouy interferometric technique. The effect of the inclusion equilibrium on the cross-term diffusion coefficients was observed. The measured diffusion coefficients in the ternary systems were used to calculate values of the binding constants. These values are in good agreement with the value obtained from calorimetric studies.

Measurement of the diffusion coefficient of acetone in succinonitrile at its melting point

NASA Technical Reports Server (NTRS)

Chopra, M. A.; Glicksman, M. E.; Singh, N. B.

1988-01-01

The diffusion coefficient of acetone in liquid succinonitrile at 331.1 K was determined using the method of McBain and Dawson (1935). Only dilute mixtures of SCN-acetone were studied. The interdiffusion constant was determined to be 0.0000127 sq cm/s and was essentially independent of the acetone concentration over the range investigated (0.5 to 18 mol pct acetone).

A Study of Interdiffusion in the Fe-C/Ti System Under Equilibrium and Nonequilibrium Conditions

NASA Astrophysics Data System (ADS)

Prasanthi, T. N.; Sudha, C.; Saroja, S.

2017-04-01

In the present study, diffusion behavior under equilibrium and nonequilibrium conditions in a Fe-C/Ti system is studied in the temperature range of 773 K to 1073 K (500 °C to 800 °C). A defect-free weld joint between mild steel (MS) (Fe-0.14 pct C) and Ti Grade 2 obtained by friction welding is diffusion annealed for various durations to study the interdiffusion behavior under equilibrium conditions, while an explosive clad joint is used to study interdiffusion under nonequilibrium conditions. From the elemental concentration profiles obtained across the MS-Ti interface using electron-probe microanalysis and imaging of the interface, the formation of distinct diffusion zones as a function of temperature and time is established. Concentration and temperature dependence of the interdiffusion coefficients ( D( c)) and activation energies are determined. Under equilibrium conditions, the change in molar volume with concentration shows a close match with the ideal Vegard's law, whereas a negative deviation is observed for nonequilibrium conditions. This deviation can be attributed to the formation of secondary phases, which, in turn, alters the D( c) values of diffusing species. Calculations showed that the D 0 and activation energy for interdiffusion under equilibrium is on the order of 10-11 m2/s and 147 kJ/mol, whereas it is far lower in the nonequilibrium case (10-10 m2/s and 117 kJ/mol) in the compositional range of 40 to 50 wt pct Fe, which also manifests as accelerated growth kinetics of the different diffusion zones.

Stress, deformation and diffusion interactions in solids - A simulation study

NASA Astrophysics Data System (ADS)

Fischer, F. D.; Svoboda, J.

2015-05-01

Equations of diffusion treated in the frame of Manning's concept, are completed by equations for generation/annihilation of vacancies at non-ideal sources and sinks, by conservation laws, by equations for generation of an eigenstrain state and by a strain-stress analysis. The stress-deformation-diffusion interactions are demonstrated on the evolution of a diffusion couple consisting of two thin layers of different chemical composition forming a free-standing plate without external loading. The equations are solved for different material parameters represented by the values of diffusion coefficients of individual components and by the intensity of sources and sinks for vacancies. The results of simulations indicate that for low intensity of sources and sinks for vacancies a significant eigenstress state can develop and the interdiffusion process is slowed down. For high intensity of sources and sinks for vacancies a significant eigenstrain state can develop and the eigenstress state quickly relaxes. If the difference in the diffusion coefficients of individual components is high, then the intensity of sources and sinks for vacancies influences the interdiffusion process considerably. For such systems their description only by diffusion coefficients is insufficient and must be completed by a microstructure characterization.

Effective ionization coefficients, limiting electric fields, and electron energy distributions in CF{sub 3}I + CF{sub 4} + Ar ternary gas mixtures

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

Tezcan, S. S.; Dincer, M. S.; Bektas, S.

2016-07-15

This paper reports on the effective ionization coefficients, limiting electric fields, electron energy distribution functions, and mean energies in ternary mixtures of (Trifluoroiodomethane) CF{sub 3}I + CF{sub 4} + Ar in the E/N range of 100–700 Td employing a two-term solution of the Boltzmann equation. In the ternary mixture, CF{sub 3}I component is increased while the CF{sub 4} component is reduced accordingly and the 40% Ar component is kept constant. It is seen that the electronegativity of the mixture increases with increased CF{sub 3}I content and effective ionization coefficients decrease while the limiting electric field values increase. Synergism in themore » mixture is also evaluated in percentage using the limiting electric field values obtained. Furthermore, it is possible to control the mean electron energy in the ternary mixture by changing the content of CF{sub 3}I component.« less

Thermodiffusion, molecular diffusion and Soret coefficient of binary and ternary mixtures of n-hexane, n-dodecane and toluene.

PubMed

Alonso de Mezquia, David; Wang, Zilin; Lapeira, Estela; Klein, Michael; Wiegand, Simone; Mounir Bou-Ali, M

2014-11-01

In this study, the thermodiffusion, molecular diffusion, and Soret coefficients of 12 binary mixtures composed of toluene, n-hexane and n-dodecane in the whole range of concentrations at atmospheric pressure and temperatures of 298.15 K and 308.15 K have been determined. The experimental measurements have been carried out using the Thermogravitational Column, the Sliding Symmetric Tubes and the Thermal Diffusion Forced Rayleigh Scattering techniques. The results obtained using the different techniques show a maximum deviation of 9% for the thermodiffusion coefficient, 8% for the molecular diffusion coefficient and 2% for the Soret coefficient. For the first time we report a decrease of the thermodiffusion coefficient with increasing ratio of the thermal expansion coefficient and viscosity for a binary mixture of an organic ring compound with a short n-alkane. This observation is discussed in terms of interactions between the different components. Additionally, the thermogravitational technique has been used to measure the thermodiffusion coefficients of four ternary mixtures consisting of toluene, n-hexane and n-dodecane at 298.15 K. In order to complete the study, the values obtained for the molecular diffusion coefficient in binary mixtures, and the thermodiffusion coefficient of binary and ternary mixtures have been compared with recently derived correlations.

Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

PubMed

Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

2017-06-21

The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive MD simulations.

Calculation of Transport Coefficients in Dense Plasma Mixtures

NASA Astrophysics Data System (ADS)

Haxhimali, T.; Cabot, W. H.; Caspersen, K. J.; Greenough, J.; Miller, P. L.; Rudd, R. E.; Schwegler, E. R.

2011-10-01

We use classical molecular dynamics (MD) to estimate species diffusivity and viscosity in mixed dense plasmas. The Yukawa potential is used to describe the screened Coulomb interaction between the ions. This potential has been used widely, providing the basis for models of dense stellar materials, inertial confined plasmas, and colloidal particles in electrolytes. We calculate transport coefficients in equilibrium simulations using the Green- Kubo relation over a range of thermodynamic conditions including the viscosity and the self - diffusivity for each component of the mixture. The interdiffusivity (or mutual diffusivity) can then be related to the self-diffusivities by using a generalization of the Darken equation. We have also employed non-equilibrium MD to estimate interdiffusivity during the broadening of the interface between two regions each with a high concentration of either species. Here we present results for an asymmetric mixture between Ar and H. These can easily be extended to other plasma mixtures. A main motivation for this study is to develop accurate transport models that can be incorporated into the hydrodynamic codes to study hydrodynamic instabilities. We use classical molecular dynamics (MD) to estimate species diffusivity and viscosity in mixed dense plasmas. The Yukawa potential is used to describe the screened Coulomb interaction between the ions. This potential has been used widely, providing the basis for models of dense stellar materials, inertial confined plasmas, and colloidal particles in electrolytes. We calculate transport coefficients in equilibrium simulations using the Green- Kubo relation over a range of thermodynamic conditions including the viscosity and the self - diffusivity for each component of the mixture. The interdiffusivity (or mutual diffusivity) can then be related to the self-diffusivities by using a generalization of the Darken equation. We have also employed non-equilibrium MD to estimate interdiffusivity during the broadening of the interface between two regions each with a high concentration of either species. Here we present results for an asymmetric mixture between Ar and H. These can easily be extended to other plasma mixtures. A main motivation for this study is to develop accurate transport models that can be incorporated into the hydrodynamic codes to study hydrodynamic instabilities. This work was performed under the auspices of the US Dept. of Energy by Lawrence Livermore National Security, LLC under Contract DE-AC52-07NA27344.

Influence of compositional complexity on interdiffusion in Ni-containing concentrated solid-solution alloys

DOE PAGES

Jin, Ke; Zhang, Chuan; Zhang, Fan; ...

2018-03-07

To investigate the compositional effects on thermal-diffusion kinetics in concentrated solid-solution alloys, interdiffusion in seven diffusion couples with alloys from binary to quinary is systematically studied. The alloys with higher compositional complexity exhibit in general lower diffusion coefficients against homologous temperature, however, an exception is found that diffusion in NiCoFeCrPd is faster than in NiCoFeCr and NiCoCr. While the derived diffusion parameters suggest that diffusion in medium and high entropy alloys is overall more retarded than in pure metals and binary alloys, they strongly depend on specific constituents. The comparative features are captured by computational thermodynamics approaches using a self-consistentmore » database.« less

Reaction diffusion in the nickel-chromium-aluminum and cobalt-chromium-aluminum systems

NASA Technical Reports Server (NTRS)

Levine, S. R.

1977-01-01

The effects of MCrAl coating-substrate interdiffusion on oxidation life and the general mutliphase, multicomponent diffusion problem were examined. Semi-infinite diffusion couples that had sources representing coatings and sinks representing gas turbine alloys were annealed at 1,000, 1,095, 1,150, or 1,205 C for as long as 500 hours. The source and sink aluminum and chromium contents and the base metal (cobalt or nickel) determined the parabolic diffusion rate constants of the couples and predicted finite coating lives. The beta source strength concept provided a method (1) for correlating beta recession rate constants with composition; (2) for determining reliable average total, diffusion, and constitutional activation energies; and (3) for calculating interdiffusion coefficients.

Interdiffusion of NaSi—CaAl in peristerite

NASA Astrophysics Data System (ADS)

Yund, Richard A.

1986-01-01

The ‘average’ interdiffusion coefficient (bar D) for NaSi—CaAl exchange in plagioclase for the interval from An0 to An26 was estimated from experimentally determined homogenization times for peristerite exsolution lamellae. The average spacing between adjacent (unlike) lamellae is 554±77 Å. Dry heating in air at 1,100°C for 98 days produced no change in the exsolution microstructure; thus bar D(dry)<10-17 cm2/s. This limit is consistent with the recently reported ‘average’ bar D(dry) values for the Huttenlocher interval (An70 90) at this temperature. At 1.5 GPa with about 0.2 weight percent water added the ‘average’ diffusion coefficient from 1,100°C to 900°C is given by: bar D(wet)=18{-15/+108}(cm2/s) exp (-97±5 (kcal/mol)/RT), where R is the gas constant, and T is °K. This bar D(wet) at 1,100°C is more than three orders of magnitude greater than bar D(dry) for Na- and Ca-rich plagioclases.

Effect of concentration dependence of the diffusion coefficient on homogenization kinetics in multiphase binary alloy systems

NASA Technical Reports Server (NTRS)

Tenney, D. R.; Unnam, J.

1978-01-01

Diffusion calculations were performed to establish the conditions under which concentration dependence of the diffusion coefficient was important in single, two, and three phase binary alloy systems. Finite-difference solutions were obtained for each type of system using diffusion coefficient variations typical of those observed in real alloy systems. Solutions were also obtained using average diffusion coefficients determined by taking a logarithmic average of each diffusion coefficient variation considered. The constant diffusion coefficient solutions were used as reference in assessing diffusion coefficient variation effects. Calculations were performed for planar, cylindrical, and spherical geometries in order to compare the effect of diffusion coefficient variations with the effect of interface geometries. In most of the cases considered, the diffusion coefficient of the major-alloy phase was the key parameter that controlled the kinetics of interdiffusion.

Ion-Exchange Interdiffusion Model with Potential Application to Long-Term Nuclear Waste Glass Performance

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

Neeway, James Joseph; Kerisit, Sebastien N.; Liu, Jia

2016-05-05

Abstract: Ion exchange is an integral mechanism influencing the corrosion of glasses. Due to the formation of alteration layers in aqueous conditions, it is difficult to conclusively deconvolute the process of ion exchange from other processes, principally dissolution of the glass matrix. Therefore, we have developed a method to isolate alkali diffusion that involves contacting glass coupons with a solution of 6LiCl dissolved in functionally inert dimethyl sulfoxide. We employ the method at temperatures ranging from 25 to 150 °C with various glass formulations. Glass compositions include simulant nuclear waste glasses, such as SON68 and the international simple glass (ISG),more » glasses in which the nature of the alkali element was varied, and glasses that contained more than one alkali element. An interdiffusion model based on Fick’s second law was developed and applied to all experiments to extract diffusion coefficients. The model expands established models of interdiffusion to the case where multiple types of alkali sites are present in the glass. Activation energies for alkali ion exchange were calculated and the results are in agreement with those obtained in glass strengthening experiments but are nearly five times higher than values reported for diffusion-controlled processes in nuclear waste glass corrosion experiments. A discussion of the root causes for this apparent discrepancy is provided. The interdiffusion model derived from laboratory experiments is expected to be useful for modeling glass corrosion in a geological repository when the silicon concentration is high.« less

Diffusion and phase transformation behavior in poly-synthetically-twinned (PST) titanium-aluminum/titanium diffusion couple

NASA Astrophysics Data System (ADS)

Pan, Ling

Motivated by the great potential applications of gamma titanium aluminide based alloys and the important effect of diffusion on the properties of gamma-TiAl/alpha2-Ti3Al two-phase lamellar structure, we conduct this thesis research to explore the microstructural evolution and interdiffusion behavior, and their correlations in multi-phase solid state diffusion couples made up of pure titanium and polysynthetically-twinned (PST) Ti-49.3 at.% Al "single" crystal, in the temperature range of 973--1173 K. The diffusion couples are prepared by high vacuum hot-pressing, with the diffusion direction parallel to the lamellar planes. Scanning electron microscopy (SEM), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM) are employed to observe the microstructure at various interfaces/interphases. A reaction zone (RZ) of polycrystalline alpha 2-Ti3Al phase forms along the PST Ti-Al/Ti bonding interface having a wavy interface with the PST crystal and exhibits deeper penetration in alpha2 lamellae, consisting of many fine alpha2 and secondary gamma laths, than in primary gamma lamellae. Direct measurement of the RZ thickness on SEM back-scattered electron images reveals a parabolic growth of the RZ, indicating a macroscopically diffusion-controlled growth. Concentration profiles from Ti, through the RZ, into the alpha2 lamellae of the PST crystal are measured by quantitative energy-dispersive x-ray spectroscopy (EDS) in a scanning transmission electron microscope (STEM). A plateau of composition adjacent to the RZ/(mixed alpha2 lath in PST) interface forms in the deeply penetrated RZ grains, implying a diffusion barrier crossing the interface and some extent of interface control in the RZ grain growth. The interdiffusion coefficient is evaluated both independent of composition and as a function of composition. No significant concentration dependence of the interdiffusion coefficients is observed using Boltzmann-Matano analysis. The temperature dependence of the interdiffusion coefficients obeys the Arrhenius relationship with a pre-exponential factor of D 0 = (7.56 +/- 7.14) x 10-5 m2/s and an activation enthalpy of Q = 255.6+8.9-8.3 kJ/mol = (2.65 +/- 0.09) eV/atom. The initial nucleation stage of the RZ grains plays an important role in the later microstructural evolution as does the local mass balance. The interfacial energy and the strain energy in the deeply penetrated RZ grains are possible reasons for the plateau.

Ternary recombination of H3+, H2D+, HD2+, and D3+ with electrons in He/Ar/H2/D2 gas mixtures

NASA Astrophysics Data System (ADS)

Kalosi, Abel; Dohnal, Petr; Plasil, Radek; Johnsen, Rainer; Glosik, Juraj

2016-09-01

The temperature dependence of the ternary recombination rate coefficients of H2D+ and HD2+ ions has been studied in the temperature range of 80-150 K at pressures from 500 to 1700 Pa in a stationary afterglow apparatus equipped with a cavity ring-down spectrometer. Neutral gas mixtures consisting of He/Ar/H2/D2 (with typical number densities 1017 /1014 /1014 /1014 cm-3) were employed to produce the desired ionic species and their fractional abundances were monitored as a function of helium pressure and the [D2]/[H2] ratio of the neutral gas. In addition, the translational and the rotational temperature and the ortho to para ratio were monitored for both H2D+ and HD2+ ions. A fairly strong pressure dependence of the effective recombination rate coefficient was observed for both ion species, leading to ternary recombination rate coefficients close to those previously found for (helium assisted) ternary recombination of H3+ and D3+. Work supported by: Czech Science Foundation projects GACR 14-14649P, GACR 15-15077S, GACR P209/12/0233, and by Charles University in Prague Project Nr. GAUK 692214.

Reaction diffusion in the NiCrAl and CoCrAl systems

NASA Technical Reports Server (NTRS)

Levine, S. R.

1978-01-01

The paper assesses the effect of overlay coating and substrate composition on the kinetics of coating depletion by interdiffusion. This is accomplished by examining the constitution, kinetics and activation energies for a series of diffusion couples primarily of the NiCrAl/Ni-10Cr or CoCrAl/Ni-10Cr type annealed at temperatures in the range 1000-1205 C for times up to 500 hr. A general procedure is developed for analyzing diffusion in multicomponent multiphase systems. It is shown that by introducing the concept of beta-source strength, which can be determined from appropriate phase diagrams, the Wagner solution for consumption of a second phase in a semiinfinite couple is successfully applied to the analysis of MCrAl couples. Thus, correlation of beta-recession rate constants with couple composition, total and diffusional activation energies, and interdiffusion coefficients are determined.

Au/Ti resistors used for Nb/Pb-alloy Josephson junctions. II. Thermal stability

NASA Astrophysics Data System (ADS)

Murakami, Masanori; Kim, K. K.

1984-10-01

In the preceding paper bilayered Au/Ti resistors were found to have excellent electrical stability during storage at room temperature after preannealing at an elevated temperature, which is essential to design logic and memory circuits of Nb/Pb-alloy Josephson junction devices. The resistors could contact directly with the Pb-alloy control lines in which Pb and In atoms which are known to intermix easily with Au atoms are contained. Since Pb and In atoms in the control lines are separated from Au atoms of the resistors by thin Ti layers, thermal stability at the contacts is a major concern for use of the Au/Ti resistor material in the Josephson devices. In the present study, surface morphology change and diffusion mechanism at the resistor/control-line contacts were studied using x-ray diffraction and scanning electron microscopy for square-shaped Au/Ti resistors covered by Pb-In layers. The samples were isothermally annealed at temperatures ranging from 353 to 423 K. The diffusion did not occur immediately after annealing at these temperatures. After the incubation period, the interdiffusion was observed to initiate at the edges of the resistors facing to the center of the cathode. Significant amounts of the In atoms in the Pb-In layers were observed to diffuse into the Au layers of the resistors, forming AuIn2 compounds under the Ti layers. By measuring growth rates of the AuIn2 layers, the diffusion coefficients and the activation energy for the layer growth were determined. Also, by analyzing changes in the In concentration in the Pb-In layers during annealing, interdiffusion coefficients of In atoms in the Pb-In layers were determined using a computer simulation technique. The activation energy was about 1.1 eV. Since these diffusion coefficients were found to be very close to those determined previously in bulk materials, the diffusion kinetics is believed to be controlled by the lattice diffusion. Based on the present results, several methods to reduce the interdiffusion between Pb-alloy and Au/Ti resistors were proposed.

Solution processable broadband transparent mixed metal oxide nanofilm optical coatings via substrate diffusion doping.

PubMed

Glynn, Colm; Aureau, Damien; Collins, Gillian; O'Hanlon, Sally; Etcheberry, Arnaud; O'Dwyer, Colm

2015-12-21

Devices composed of transparent materials, particularly those utilizing metal oxides, are of significant interest due to increased demand from industry for higher fidelity transparent thin film transistors, photovoltaics and a myriad of other optoelectronic devices and optics that require more cost-effective and simplified processing techniques for functional oxides and coatings. Here, we report a facile solution processed technique for the formation of a transparent thin film through an inter-diffusion process involving substrate dopant species at a range of low annealing temperatures compatible with processing conditions required by many state-of-the-art devices. The inter-diffusion process facilitates the movement of Si, Na and O species from the substrate into the as-deposited vanadium oxide thin film forming a composite fully transparent V0.0352O0.547Si0.4078Na0.01. Thin film X-ray diffraction and Raman scattering spectroscopy show the crystalline component of the structure to be α-NaVO3 within a glassy matrix. This optical coating exhibits high broadband transparency, exceeding 90-97% absolute transmission across the UV-to-NIR spectral range, while having low roughness and free of surface defects and pinholes. The production of transparent films for advanced optoelectronic devices, optical coatings, and low- or high-k oxides is important for planar or complex shaped optics or surfaces. It provides opportunities for doping metal oxides to ternary, quaternary or other mixed metal oxides on glass, encapsulants or other substrates that facilitate diffusional movement of dopant species.

Microstructure and physical properties of bismuth-lead-tin ternary eutectic alloy

NASA Astrophysics Data System (ADS)

Kamal, M.; Moharram, B. M.; Farag, H.; El-Bediwi, A.; Abosheiasha, H. F.

2006-07-01

Using different experimental techniques, microstructure, electrical resistivity, attenuation coefficient, and mechanical and thermal properties of the quenched Bi-Pb-Sn ternary eutectic alloy have been investigated. From the X-ray analysis, Bi3Pb7 and Bi-Sn meta-stable phases are detected, in addition to rhombohedral bismuth and Sn body-centered tetragonal phases. This study also compared the physical properties of the Bi-Sn-Pb ternary eutectic alloys with the base binary Bi-Sn and Bi-Pb eutectic alloys.

Interdiffusion in nanometer-scale multilayers investigated by in situ low-angle x-ray diffraction

NASA Astrophysics Data System (ADS)

Wang, Wei-Hua; Bai, Hai Yang; Zhang, Ming; Zhao, J. H.; Zhang, X. Y.; Wang, W. K.

1999-04-01

An in situ low-angle x-ray diffraction technique is used to investigate interdiffusion phenomena in various metal-metal and metal-amorphous Si nanometer-scale compositionally modulated multilayers (ML's). The temperature-dependent interdiffusivities are obtained by accurately monitoring the decay of the first-order modulation peak as a function of annealing time. Activation enthalpies and preexponential factors for the interdiffusion in the Fe-Ti, Ag-Bi, Fe-Mo, Mo-Si, Ni-Si, Nb-Si, and Ag-Si ML's are determined. Activation enthalpies and preexponential factors for the interdiffusion in the ML's are very small compared with that in amorphous alloys and crystalline solids. The relation between the atomic-size difference and interdiffusion in the ML's are investigated. The observed interdiffusion characteristics are compared with that in amorphous alloys and crystalline α-Zr, α-Ti, and Si. The experimental results suggest that a collective atomic-jumping mechanism govern the interdiffusion in the ML's, the collective proposal involving 8-15 atoms moving between extended nonequilibrium defects by thermal activation. The role of the interdiffusion in the solid-state reaction in the ML's is also discussed.

On the role of structure-dynamic relationship in determining the excess entropy of mixing and chemical ordering in binary square-well liquid alloys

NASA Astrophysics Data System (ADS)

Lalneihpuii, R.; Shrivastava, Ruchi; Mishra, Raj Kumar

2018-05-01

Using statistical mechanical model with square-well (SW) interatomic potential within the frame work of mean spherical approximation, we determine the composition dependent microscopic correlation functions, interdiffusion coefficients, surface tension and chemical ordering in Ag-Cu melts. Further Dzugutov universal scaling law of normalized diffusion is verified with SW potential in binary mixtures. We find that the excess entropy scaling law is valid for SW binary melts. The partial and total structure factors in the attractive and repulsive regions of the interacting potential are evaluated and then Fourier transformed to get partial and total radial distribution functions. A good agreement between theoretical and experimental values for total structure factor and the reduced radial distribution function are observed, which consolidates our model calculations. The well-known Bhatia-Thornton correlation functions are also computed for Ag-Cu melts. The concentration-concentration correlations in the long wavelength limit in liquid Ag-Cu alloys have been analytically derived through the long wavelength limit of partial correlation functions and apply it to demonstrate the chemical ordering and interdiffusion coefficients in binary liquid alloys. We also investigate the concentration dependent viscosity coefficients and surface tension using the computed diffusion data in these alloys. Our computed results for structure, transport and surface properties of liquid Ag-Cu alloys obtained with square-well interatomic interaction are fully consistent with their corresponding experimental values.

Thermal gravitational separation of ternary mixture n-dodecane/isobutylbenzene/tetralin components in a porous medium

NASA Astrophysics Data System (ADS)

Larabi, Mohamed Aziz; Mutschler, Dimitri; Mojtabi, Abdelkader

2016-06-01

Our present work focuses on the coupling between thermal diffusion and convection in order to improve the thermal gravitational separation of mixture components. The separation phenomenon was studied in a porous medium contained in vertical columns. We performed analytical and numerical simulations to corroborate the experimental measurements of the thermal diffusion coefficients of ternary mixture n-dodecane, isobutylbenzene, and tetralin obtained in microgravity in the international space station. Our approach corroborates the existing data published in the literature. The authors show that it is possible to quantify and to optimize the species separation for ternary mixtures. The authors checked, for ternary mixtures, the validity of the "forgotten effect hypothesis" established for binary mixtures by Furry, Jones, and Onsager. Two complete and different analytical resolution methods were used in order to describe the separation in terms of Lewis numbers, the separation ratios, the cross-diffusion coefficients, and the Rayleigh number. The analytical model is based on the parallel flow approximation. In order to validate this model, a numerical simulation was performed using the finite element method. From our new approach to vertical separation columns, new relations for mass fraction gradients and the optimal Rayleigh number for each component of the ternary mixture were obtained.

Interface Reactions and Synthetic Reaction of Composite Systems

PubMed Central

Park, Joon Sik; Kim, Jeong Min

2010-01-01

Interface reactions in composite systems often determine their overall properties, since product phases usually formed at interfaces during composite fabrication processing make up a large portion of the composites. Since most composite materials represent a ternary or higher order materials system, many studies have focused on analyses of diffusion phenomena and kinetics in multicomponent systems. However, the understanding of the kinetic behavior increases the complexity, since the kinetics of each component during interdiffusion reactions need to be defined for interpreting composite behaviors. From this standpoint, it is important to clarify the interface reactions for producing compatible interfaces with desired product phases. A thermodynamic evaluation such as a chemical potential of involving components can provide an understanding of the diffusion reactions, which govern diffusion pathways and product phase formation. A strategic approach for designing compatible interfaces is discussed in terms of chemical potential diagrams and interface morphology, with some material examples.

Single Crystal Fibers of Yttria-Stabilized Cubic Zirconia with Ternary Oxide Additions

NASA Technical Reports Server (NTRS)

Ritzert, F. J.; Yun, H. M.; Miner, R. V.

1997-01-01

Single crystal fibers of yttria (Y2O3)-stabilized cubic zirconia, (ZrO2) with ternary oxide additions were grown using the laser float zone fiber processing technique. Ternary additions to the ZrO2-Y2O3 binary system were studied aimed at increasing strength while maintaining the high coefficient of thermal expansion of the binary system. Statistical methods aided in identifying the most promising ternary oxide candidate (Ta2O5, Sc2O3, and HfO2) and optimum composition. The yttria, range investigated was 14 to 24 mol % and the ternary oxide component ranged from 1 to 5 mol %. Hafnium oxide was the most promising ternary oxide component based on 816 C tensile strength results and ease of fabrication. The optimum composition for development was 81 ZrO2-14 Y203-5 HfO2 based upon the same elevated temperature strength tests. Preliminary results indicate process improvements could improve the fiber performance. We also investigated the effect of crystal orientation on strength.

Phase relations in the system NaCl-KCl-H2O: V. Thermodynamic-PTX analysis of solid-liquid equilibria at high temperatures and pressures

USGS Publications Warehouse

Sterner, S.M.; Chou, I.-Ming; Downs, R.T.; Pitzer, Kenneth S.

1992-01-01

The Gibbs energies of mixing for NaCl-KCl binary solids and liquids and solid-saturated NaCl-KCl-H2O ternary liquids were modeled using asymmetric Margules treatments. The coefficients of the expressions were calibrated using an extensive array of binary solvus and solidus data, and both binary and ternary liquidus data. Over the PTX range considered, the system exhibits complete liquid miscibility among all three components and extensive solid solution along the anhydrous binary. Solid-liquid and solid-solid phase equilibria were calculated by using the resulting equations and invoking the equality of chemical potentials of NaCl and KCl between appropriate phases at equilibrium. The equations reproduce the ternary liquidus and predict activity coefficients for NaCl and KCl components in the aqueous liquid under solid-saturation conditions between 673 and 1200 K from vapor saturation up to 5 kbar. In the NaCl-KCl anhydrous binary system, the equations describe phase equilibria and predict activity coefficients of the salt components for all stable compositions of solid and liquid phases between room temperature and 1200 K and from 1 bar to 5 kbar. ?? 1992.

Anomalous temperature dependence of yield stress and work hardening coefficient of B2-stabilized NiTi alloys

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

Hosoda, Hideki; Mishima, Yoshinao; Suzuki, Tomoo

Yield stress and work hardening coefficient of B2-stabilized NiTi alloys are investigated using compression tests. Compositions of NiTi alloys are based on Ni-49mol.%Ti, to which Cr, Co and Al are chosen as ternary elements which reduce martensitic transformation temperatures of the B2 phase. Mechanical tests are carried out in liquid nitrogen at 77 K, air at room temperature (R.T.) and in an argon atmosphere between 473 K and 873 K. Only at 77 K, some alloys show characteristic stress-strain curves which indicate stress induced martensitic transformation (SIMT), but the others do not. Work hardening coefficient is found to be betweenmore » 2 and 11GPa in all the test temperature range. The values are extremely high compared with Young`s modulus of B2 NiTi. Yield stress and work hardening coefficient increase with test temperature between R.T. and about 650 K in most alloys. The anomalous temperature dependence of mechanical properties is not related to SIMT but to precipitation hardening and/or anomalous dislocation motion similar to B2-type CoTi. Solution hardening by adding ternary elements is evaluated to be small for Cr and Co additions, and large for Al addition, depending on difference in atomic size of the ternary element with respect to Ni or Ti.« less

Novel Optical Fiber Materials With Engineered Brillouin Gain Coefficients SSL 1: Novel Fiber Lasers

DTIC Science & Technology

2015-12-29

strontium aluminosilicate glasses . A zero-p12 composition is calculated to be at a SiO2 content of about 41.5 mol%, SrO content of about 22.5 mol...ternary, glasses that are needed for this program. These include the BaO- SiO2 system as an example binary glass , and the MgO-Al2O3- SiO2 and BaO-Al2O3... SiO2 systems as example ternary glasses (with the addition of a rare earth 16 resulting in a quaternary glass ). Complex ternary compositions were

VANADIUM ALLOYS

DOEpatents

Smith, K.F.; Van Thyne, R.J.

1959-05-12

This patent deals with vanadium based ternary alloys useful as fuel element jackets. According to the invention the ternary vanadium alloys, prepared in an arc furnace, contain from 2.5 to 15% by weight titanium and from 0.5 to 10% by weight niobium. Characteristics of these alloys are good thermal conductivity, low neutron capture cross section, good corrosion resistance, good welding and fabricating properties, low expansion coefficient, and high strength.

High Performance Brittle Matrices and Brittle Matrix Composites. Book 1

DTIC Science & Technology

1989-12-31

Intermetallic Alloys II, p . 27- 38, Stoloft, Koch, Liu, and Izumi (Eds.), MRS, 1986. [6] Cahn, R.W., Siemers, P.A., Geiger, J.E., Bardhan , P ., as-reported in ref...diagram were also useful in determining the interdiffusion coefficients of Ta and Al in the P phase. This information has been used for the studies on...from supercooling of the liquid droplets. This hypothesis was supported by the cross- over of the calculated T0 curves for the a, p and y phases in the

Surface and grain boundary interdiffusion in nanometer-scale LSMO/BFO bilayer

NASA Astrophysics Data System (ADS)

Kumar, Virendra; Gaur, Anurag; Choudhary, R. J.; Gupta, Mukul

2016-05-01

Epitaxial 150 nm thick LSMO/BFO bilayer is deposited on STO (100) substrate by pulsed laser deposition, to study magnetoelectric effect. Unexpected low value of room temperature magnetization in bilayer indicates towards the possibility of interdiffusion. Further, sharp fall in the value of TC (53 K) also added our anxiety towards possible interdiffusion in BFO/LSMO system. Low-angle x-ray diffraction technique is used to investigate interdiffusion phenomena, and the temperature-dependent interdiffusivity is obtained by accurately monitoring the decay of the first-order modulation peak as a function of annealing time. It has been found that the diffusivity at different temperatures follows Arrhenius-type behavior. X-ray reflection (XRR) pattern obtained for the bilayer could not be fitted in the Parratt's formalism, which confirms the interdiffusion in it. Depth profiles of 209Bi, 56Fe ions measured by secondary ion mass spectroscope (SIMS) further substantiate the diffusion of these ions from upper BFO layer into lower LSMO layer.

Numerical Modeling of High-Temperature Corrosion Processes

NASA Technical Reports Server (NTRS)

Nesbitt, James A.

1995-01-01

Numerical modeling of the diffusional transport associated with high-temperature corrosion processes is reviewed. These corrosion processes include external scale formation and internal subscale formation during oxidation, coating degradation by oxidation and substrate interdiffusion, carburization, sulfidation and nitridation. The studies that are reviewed cover such complexities as concentration-dependent diffusivities, cross-term effects in ternary alloys, and internal precipitation where several compounds of the same element form (e.g., carbides of Cr) or several compounds exist simultaneously (e.g., carbides containing varying amounts of Ni, Cr, Fe or Mo). In addition, the studies involve a variety of boundary conditions that vary with time and temperature. Finite-difference (F-D) techniques have been applied almost exclusively to model either the solute or corrodant transport in each of these studies. Hence, the paper first reviews the use of F-D techniques to develop solutions to the diffusion equations with various boundary conditions appropriate to high-temperature corrosion processes. The bulk of the paper then reviews various F-D modeling studies of diffusional transport associated with high-temperature corrosion.

Thermodynamic studies of drug-alpha-cyclodextrin interactions in water at 298.15 K: promazine hydrochloride/chlorpromazine hydrochloride + alpha-cyclodextrin + H(2)O systems.

PubMed

Terdale, Santosh S; Dagade, Dilip H; Patil, Kesharsingh J

2007-12-06

Data on osmotic coefficients have been obtained for a binary aqueous solution of two drugs, namely, promazine hydrochloride (PZ) and chlorpromazine hydrochloride (CPZ) using a vapor pressure osmometer at 298.15 K. The observed critical micelle concentration (cmc) agrees excellently with the available literature data. The measurements are extended to aqueous ternary solutions containing fixed a concentration of alpha-cyclodextrin (alpha-CD) of 0.1 mol kg(-1) and varied concentrations (approximately 0.005-0.2 mol kg(-1)) of drugs at 298.15 K. It has been found that the cmc values increase by the addition of alpha-CD. The mean molal activity coefficients of the ions and the activity coefficient of alpha-CD in binary as well as ternary solutions were obtained, which have been further used to calculate the excess Gibbs free energies and transfer Gibbs free energies. The lowering of the activity coefficients of ions and of alpha-CD is attributed to the existence of host-guest (inclusion)-type complex equilibria. It is suggested that CPZ forms 2:1 and 1:1 complexed species with alpha-CD, while PZ forms only 1:1 complexed species. The salting constant (ks) values are determined at 298.15 K for promazine-alpha-CD and chlorpromazine-alpha-CD complexes, respectively, by following the method based on the application of the McMillan-Mayer theory of virial coefficients to transfer free energy data. It is noted that the presence of chlorine in the drug molecule imparts better complexing capacity, the effect of which gets attenuated as a result of hydrophobic interaction. The results are discussed from the point of view of associative equilibria before the cmc and complexed equilibria for binary and ternary solutions, respectively.

Glide twinning and pseudotwinning in peristerite: Si,Al diffusional stabilization and implications for the peristerite solvus

NASA Astrophysics Data System (ADS)

Brown, William L.

1989-07-01

Albite glide pseudotwins related to grain-boundary stresses have been observed in an exsolved peristerite (Brown 1989). The glide operation transposes the pre-existing periodic oligoclase/albite lamellae and interfaces into a position rotated by only ˜0.5° in the pseudotwins, but transforms the indices from (1bar 80) outside to ( 081) inside the pseudotwin. The pseudotwin is anti-ordered with respect to Al and Si and both it and the transposed interface are unstable. They should revert to the initial state on stress removal. If however the stresses are maintained for a sufficiently long time, the pseudotwins are stabilized by inversion of Si,Al order and re-orientation of the interface by an angle of about 30° into a position close to \\underline {(1bar 80)} . The continuous lamellae break up into a series of discs by diffusion of NaSi and CaAl, the minimum diffusion path being about the same as the thickness of the lamellae. On extrapolating available interdiffusion data in Ab-rich plagioclases to low temperatures, possible diffusion times may be calculated. The calculated times are long so that either the peristerite miscibility gap must be at a higher temperature than previously supposed or the low-temperature interdiffusion coefficients must be higher than the extrapolated experimental ones, or both. From recent data on ordering in albite, the crest of the gap is estimated to lie close to 650 625° C at low pressure and it is possible that interdiffusion under natural conditions is facilitated by hydrogen (protons) in feldspars.

High-fidelity plasma codes for burn physics

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

Cooley, James; Graziani, Frank; Marinak, Marty

Accurate predictions of equation of state (EOS), ionic and electronic transport properties are of critical importance for high-energy-density plasma science. Transport coefficients inform radiation-hydrodynamic codes and impact diagnostic interpretation, which in turn impacts our understanding of the development of instabilities, the overall energy balance of burning plasmas, and the efficacy of self-heating from charged-particle stopping. Important processes include thermal and electrical conduction, electron-ion coupling, inter-diffusion, ion viscosity, and charged particle stopping. However, uncertainties in these coefficients are not well established. Fundamental plasma science codes, also called high-fidelity plasma codes, are a relatively recent computational tool that augments both experimental datamore » and theoretical foundations of transport coefficients. This paper addresses the current status of HFPC codes and their future development, and the potential impact they play in improving the predictive capability of the multi-physics hydrodynamic codes used in HED design.« less

D/H diffusion in serpentine

NASA Astrophysics Data System (ADS)

Pilorgé, Hélène; Reynard, Bruno; Remusat, Laurent; Le Floch, Sylvie; Montagnac, Gilles; Cardon, Hervé

2017-04-01

Interactions between aqueous fluids and ultrabasic rocks are essential processes in a broad range of contexts including hydrothermal alteration on the parent body of carbonaceous chondrites, at mid-oceanic ridge, and in subduction zones. Tracking these processes and understanding reaction kinetics require knowledge of the diffusion of water in rocks, and of isotope fractionation in major minerals forming under hydrous conditions, such as serpentines. We present a study of D/H inter-diffusion in antigorite, a common variety of serpentine. High-temperature (HT) experiments were performed in a belt apparatus at 540˚ C and 3.0 GPa on natural antigorite powders saturated with interstitial D2O. A low-temperature (LT) experiment was performed in diamond anvil cell at 350˚ C and 2.5 GPa on an antigorite single-crystal loaded with pure D2O. D/(D+H) ratios were mapped using Raman spectroscopy for the HT experiment and NanoSIMS for the LT experiment. As antigorite is a phyllosilicate, diffusion coefficients were obtained for crystallographic directions parallel and perpendicular to the antigorite layers (perpendicular and parallel to the c∗-axis, respectively). The equations of D/H inter-diffusion coefficients were determined to be DD/H (m2/s) = 5.04 x 10-5 x exp(-170(±53) (kJ/mol) / RT) and DD/H (m2/s) = 1.52 x 10-7 x exp(-157(±32) (kJ/mol) / RT) perpendicular and along the c∗-axis, respectively, and DD/H (m2/s) = 7.29 x 10-6 x exp(-166(±14) (kJ/mol) / RT) for the bulk diffusivity. These results are similar to those obtained on chlorite, in agreement with the similar crystallographic structures and atomic bonds in the two minerals. Assuming D/H inter-diffusion coefficients for antigorite are the same for all serpentine species, closure temperature and diffusion durations are applied to hydrothermal fields and in CI, CM and CR chondrites. Closure temperatures lie below 300˚ C for terrestrial hydrothermal alteration and depend on serpentine variety because they have different typical grain sizes. They lie below 130˚ C for carbonaceous chondrites, indicating that D/H isotopic exchange may have persisted down to very low temperatures on their parent bodies. D/H isotopic composition may be associated with grain size heterogeneities in carbonaceous chondrites due to protracted alteration of fine-grained material with the lowest closure temperatures (ca 50˚ C).

D/H diffusion in serpentine

NASA Astrophysics Data System (ADS)

Pilorgé, Hélène; Reynard, Bruno; Remusat, Laurent; Le Floch, Sylvie; Montagnac, Gilles; Cardon, Hervé

2017-08-01

Interactions between aqueous fluids and ultrabasic rocks are essential processes in a broad range of contexts including hydrothermal alteration on the parent body of carbonaceous chondrites, at mid-oceanic ridge, and in subduction zones. Tracking these processes and understanding reaction kinetics require knowledge of the diffusion of water in rocks, and of isotope fractionation in major minerals forming under hydrous conditions, such as serpentines. We present a study of D/H inter-diffusion in antigorite, a common variety of serpentine. Experiments were performed in a belt apparatus at 315 °C, 450 °C and 540 °C and at 3.0 GPa on natural antigorite powders saturated with interstitial D2O. An experiment was performed in a diamond anvil cell at 350 °C and 2.5 GPa on an antigorite single-crystal loaded with pure D2O. D/(D + H) ratios were mapped using Raman spectroscopy for the experiments at 315 °C, 450 °C and 540 °C and by NanoSIMS for the experiment at 350 °C. As antigorite is a phyllosilicate, diffusion coefficients were obtained for crystallographic directions parallel and perpendicular to the silicate layers (perpendicular and parallel to the c∗-axis, respectively). Arrhenius relations for D/H inter-diffusion coefficients were determined to be DD/H (m2/s) = 4.71 × 10-2 × exp(-207(-33/+58) (kJ/mol)/RT) and DD/H (m2/s) = 1.61 × 10-4 × exp(-192(-34/+93) (kJ/mol)/RT) perpendicular and parallel to the c∗-axis, respectively, and DD/H (m2/s) = 7.09 × 10-3 × exp(-202(-33/+70) (kJ/mol)/RT) for the bulk diffusivity. Assuming D/H inter-diffusion coefficients for antigorite are the same for all serpentine species, closure temperature and diffusion durations are applied to hydrothermal alteration in the oceanic lithosphere, and in CI, CM and CR chondrites. Closure temperatures lie below 300 °C for terrestrial hydrothermal alteration and depend on serpentine variety because they have different typical grain sizes. Closure temperatures lie below 160 °C for carbonaceous chondrites, indicating that D/H isotopic exchange may have persisted down to very low temperatures in their parent bodies. Local D/H isotopic compositions may be associated with grain size heterogeneities in carbonaceous chondrites due to protracted alteration of fine-grained material with the lowest closure temperatures (ca 80 °C).

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.

Phase Equilibria of the Fe-Ni-Sn Ternary System at 270°C

NASA Astrophysics Data System (ADS)

Huang, Tzu-Ting; Lin, Shih-Wei; Chen, Chih-Ming; Chen, Pei Yu; Yen, Yee-Wen

2016-12-01

The Fe-42 wt.% Ni alloy, also known as a 42 invar alloy (Alloy 42), is used as a lead-frame material because its thermal expansion coefficient is much closer to Si substrate than Cu or Ni substrates. In order to enhance the wettability between the substrate and solder, the Sn layer was commonly electroplated onto the Alloy 42 surface. A clear understanding of the phase equilibria of the Fe-Ni-Sn ternary system is necessary to ensure solder-joint reliability between Sn and Fe-Ni alloys. To determine the isothermal section of the Fe-Ni-Sn ternary system at 270°C, 26 Fe-Ni-Sn alloys with different compositions were prepared. The experimental results confirmed the presence of the Fe3Ni and FeNi phases at 270°C. Meanwhile, it observed that the isothermal section of the Fe-Ni-Sn ternary system was composed of 11 single-phase regions, 19 two-phase regions and nine tie-triangles. Moreover, no ternary compounds were found in the Fe-Ni-Sn system at 270°C.

Effects of variation in chain length on ternary polymer electrolyte - Ionic liquid mixture - A molecular dynamics simulation study

NASA Astrophysics Data System (ADS)

Raju, S. G.; Hariharan, Krishnan S.; Park, Da-Hye; Kang, HyoRang; Kolake, Subramanya Mayya

2015-10-01

Molecular dynamics (MD) simulations of ternary polymer electrolyte - ionic liquid mixtures are conducted using an all-atom model. N-alkyl-N-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide ([CnMPy][TFSI], n = 1, 3, 6, 9) and polyethylene oxide (PEO) are used. Microscopic structure, energetics and dynamics of ionic liquid (IL) in these ternary mixtures are studied. Properties of these four pure IL are also calculated and compared to that in ternary mixtures. Interaction between pyrrolidinium cation and TFSI is stronger and there is larger propensity of ion-pair formation in ternary mixtures. Unlike the case in imidazolium IL, near neighbor structural correlation between TFSI reduces with increase in chain length on cation in both pure IL and ternary mixtures. Using spatial density maps, regions where PEO and TFSI interact with pyrrolidinium cation are identified. Oxygens of PEO are above and below the pyrrolidinium ring and away from the bulky alkyl groups whereas TFSI is present close to nitrogen atom of CnMPy. In pure IL, diffusion coefficient (D) of C3MPy is larger than of TFSI but D of C9MPy and C6MPy are larger than that of TFSI. The reasons for alkyl chain dependent phenomena are explored.

Multicomponent phase-field model for extremely large partition coefficients

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

Welland, Michael J.; Wolf, Dieter; Guyer, Jonathan E.

2014-01-01

We develop a multicomponent phase-field model specially formulated to robustly simulate concentration variations from molar to atomic magnitudes across an interlace, i.e., partition coefficients in excess of 10±23 such as may be the case with species which are predominant in one phase and insoluble in the other. Substitutional interdiffusion on a normal lattice and concurrent interstitial diffusion are included. The composition in the interlace follows the approach of Kim. Kim, and Suzuki [Phys. Rev. E 60, 7186 (1999)] and is compared to that of Wheeler, Boettinger, and McFadden [Phys. Rev. A 45, 7424 (1992)] in the context of large partitioning.more » The model successfully reproduces analytical solutions for binary diffusion couples and solute trapping for the demonstrated cases of extremely large partitioning.« less

What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures?

NASA Astrophysics Data System (ADS)

Gebhardt, M.; Köhler, W.

2015-02-01

A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid mixtures, both on ground and on-board the International Space Station. All these methods are based on the simultaneous measurement of refractive index changes at two different wavelengths. Here, we discuss and compare different techniques with the emphasis on optical beam deflection (OBD), optical digital interferometry, and thermal diffusion forced Rayleigh scattering (TDFRS). We suggest to formally split the data evaluation into a phenomenological parameterization of the measured transients and a subsequent transformation from the refractive index into the concentration space. In all experiments, the transients measured at two different detection wavelengths can be described by four amplitudes and two eigenvalues of the diffusion coefficient matrix. It turns out that these six parameters are subjected to large errors and cannot be determined reliably. Five good quantities, which can be determined with a high accuracy, are the stationary amplitudes, the initial slopes as defined in TDFRS experiments and by application of a heuristic criterion for similar curves, a certain mean diffusion coefficient. These amplitudes and slopes are directly linked to the Soret and thermodiffusion coefficients after transformation with the inverse contrast factor matrix, which is frequently ill-conditioned. Since only five out of six free parameters are reliably determined, including the single mean diffusion coefficient, the determination of the four entries of the diffusion matrix is not possible. We apply our results to new OBD measurements of the symmetric (mass fractions 0.33/0.33/0.33) ternary benchmark mixture n-dodecane/isobutylbenzene/1,2,3,4-tetrahydronaphthalene and existing literature data for the same system.

Unipolar infrared detectors based on InGaAs/InAsSb ternary superlattices

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

Ariyawansa, Gamini, E-mail: gamini.ariyawansa.2@us.af.mil; Reyner, Charles J.; Duran, Joshua M.

2016-07-11

Growth and characteristics of mid-wave infrared (MWIR) InGaAs/InAsSb strained layer superlattice (SLS) detectors are reported. InGaAs/InAsSb SLSs, identified as ternary SLSs, not only provide an extra degree of freedom for superlattice strain compensation but also show enhanced absorption properties compared to InAs/InAsSb SLSs. Utilizing In{sub 1-y}Ga{sub y}As/InAs{sub 0.65}Sb{sub 0.35} ternary SLSs (y = 0, 5, 10, and 20%) designed to have the same bandgap, a set of four unipolar detectors are investigated. These demonstrate an enhancement in the detector quantum efficiency due to the increased absorption coefficient. The detectors exhibit dark current performance within a factor of 10 of Rule 07 atmore » temperatures above 120 K, and external quantum efficiencies in the 15%–25% range. This work demonstrates ternary SLSs are a potential absorber material for future high performance MWIR detectors.« less

Polymer/fullerene photovoltaic devices: Nanoscale control of the interface by thermally-controlled interdiffusion

NASA Astrophysics Data System (ADS)

Drees, Martin

In this thesis, the interface between the electron donor polymer and the electron acceptor fullerene in organic photovoltaic devices is studied. Starting from a bilayer system of donor and acceptor materials, the proximity of polymer and fullerene throughout the bulk of the devices is improved by inducing an interdiffusion of the two materials by heating the devices in the vicinity of the glass transition temperature of the polymer. In this manner, a concentration gradient of polymer and fullerene throughout the bulk is created. The proximity of a fullerene within 10 nm of any photoexcitation in the polymer ensures that the efficient charge separation occurs. Measurements of the absorption, photoluminescence, and photocurrent spectra as well as I--V characteristics are used to study the interdiffusion and its influence on the efficiency of the photovoltaic devices. In addition, the film morphology is studied on a microscopic level with transmission electron microscopy and with Auger spectroscopy combined with ion beam milling to create a depth profile of the polymer concentration in the film. Initial studies to induce an interdiffusion were done on poly(2-methoxy-5-(2 '-ethylhexyloxy)-1,4-phenylenevinylene) (MEH-PPV) as the electron donor polymer and the buckminsterfullerene C60 as the electron acceptor. Interdiffused devices show an order of magnitude photoluminescence quenching with concomitant increase in the photocurrents by an order of magnitude. Variation of the polymer layer thickness shows that the photocurrents increase with decreasing thickness down to 70 nm due to charge transport limitation. The choice of layer thickness in organic photovoltaic devices is critical for optimization of the efficiency. The interdiffusion process is also monitored in situ and a permanent increase in photocurrents is observed during the heat treatment. Transmission electron microscopy (TEM) studies on cross sections of the film reveal that C60 interdiffuses into the MEH-PPV bulk in the form of >10 nm clusters. This clustering of C60 is a result of its tendency to crystallize and the low miscibility of C 60 in MEH-PPV, leading to strong phase separation. To improve the interdiffusion process, the donor polymer is replaced by poly(3-octylthiophene-2,5-diyl) (P3OT), which has a better miscibility with C60. Again, the photocurrents of the interdiffused devices are improved significantly. A monochromatic power conversion efficiency of 1.5% is obtained for illumination of 3.8 mW/cm2 at 470 nm. The polymer concentration in unheated and interdiffused films is studied with Auger spectroscopy in combination with ion beam milling. The concentration profile shows a distinct interface between P3OT and C60 in unheated films and a slow rise of the P3OT concentration throughout a large cross-section of the interdiffused film. TEM studies on P3OT/C60 films show that C60 still has some tendency to form clusters. The results of this thesis demonstrate that thermally-controlled interdiffusion is a viable approach for fabrication of efficient photovoltaic devices through nanoscale control of composition and morphology. These results are also used to draw conclusions about the influence of film morphology on the photovoltaic device efficiency and to identify important issues related to materials choice for the interdiffusion process. Prospective variations in materials choice are suggested to achieve better film morphologies.

Self-diffusivity and interdiffusivity of molten aluminum-copper alloys under pressure, derived from molecular dynamics.

PubMed

Rudd, Robert E; Cabot, William H; Caspersen, Kyle J; Greenough, Jeffrey A; Richards, David F; Streitz, Frederick H; Miller, Paul L

2012-03-01

We use molecular dynamics (MD) to simulate diffusion in molten aluminum-copper (AlCu) alloys. The self-diffusivities and Maxwell-Stefan diffusivities are calculated for AlCu mixtures using the Green-Kubo formulas at temperatures from 1000 to 4000 K and pressures from 0 to 25 GPa, along with additional points at higher temperatures and pressures. The diffusivities are corrected for finite-size effects. The Maxwell-Stefan diffusivity is compared to the diffusivity calculated from the self-diffusivities using a generalization of the Darken equation. We find that the effects of cross-correlation are small. Using the calculated self-diffusivities, we have assessed whether dilute hard-sphere and dilute Lennard-Jones models apply to the molten mixture. Neither of the two dilute gas diffusivities describes the diffusivity in molten Al and Cu. We report generalized analytic models for the self-diffusivities and interdiffusivity (mutual diffusivity) that fit the MD results well. The MD-derived transport coefficients are in good agreement with the available experimental data. We also report MD calculations of the viscosity and an analytic fit to those results. The ionic thermal conductivity is discussed briefly.

Self-diffusivity and interdiffusivity of molten aluminum-copper alloys under pressure, derived from molecular dynamics

NASA Astrophysics Data System (ADS)

Rudd, Robert E.; Cabot, William H.; Caspersen, Kyle J.; Greenough, Jeffrey A.; Richards, David F.; Streitz, Frederick H.; Miller, Paul L.

2012-03-01

We use molecular dynamics (MD) to simulate diffusion in molten aluminum-copper (AlCu) alloys. The self-diffusivities and Maxwell-Stefan diffusivities are calculated for AlCu mixtures using the Green-Kubo formulas at temperatures from 1000 to 4000 K and pressures from 0 to 25 GPa, along with additional points at higher temperatures and pressures. The diffusivities are corrected for finite-size effects. The Maxwell-Stefan diffusivity is compared to the diffusivity calculated from the self-diffusivities using a generalization of the Darken equation. We find that the effects of cross-correlation are small. Using the calculated self-diffusivities, we have assessed whether dilute hard-sphere and dilute Lennard-Jones models apply to the molten mixture. Neither of the two dilute gas diffusivities describes the diffusivity in molten Al and Cu. We report generalized analytic models for the self-diffusivities and interdiffusivity (mutual diffusivity) that fit the MD results well. The MD-derived transport coefficients are in good agreement with the available experimental data. We also report MD calculations of the viscosity and an analytic fit to those results. The ionic thermal conductivity is discussed briefly.

Long-term behaviour of solid oxide fuel cell interconnect materials in contact with Ni-mesh during exposure in simulated anode gas at 700 and 800 °C

NASA Astrophysics Data System (ADS)

Garcia-Fresnillo, L.; Shemet, V.; Chyrkin, A.; de Haart, L. G. J.; Quadakkers, W. J.

2014-12-01

In the present study the long-term behaviour of two ferritic steels, Crofer 22 APU and Crofer 22H, in contact with a Ni-mesh during exposure in simulated anode gas, Ar-4%H2-2%H2O, at 700 and 800 °C for exposure times up to 3000 h was investigated. Ni diffusion from the Ni-mesh into the steel resulted in the formation of an austenitic zone whereas diffusion of iron and chromium from the steel into the Ni-mesh resulted in the formation of chromia base oxides in the Ni-mesh. Depending on the chemical composition of the steel, the temperature and the exposure time, interdiffusion processes between ferritic steel and Ni-mesh also resulted in σ-phase formation at the austenite-ferrite interface and in Laves-phase dissolution in the austenitic zone. The extent and morphology of the σ-phase formation are discussed on the basis of thermodynamic considerations, including reaction paths in the ternary alloy system Fe-Ni-Cr.

Solubility of lysozyme in the presence of aqueous chloride salts: common-ion effect and its role on solubility and crystal thermodynamics.

PubMed

Annunziata, Onofrio; Payne, Andrew; Wang, Ying

2008-10-08

Understanding protein solubility is important for a rational design of the conditions of protein crystallization. We report measurements of lysozyme solubility in aqueous solutions as a function of NaCl, KCl, and NH4Cl concentrations at 25 degrees C and pH 4.5. Our solubility results are directly compared to preferential-interaction coefficients of these ternary solutions determined in the same experimental conditions by ternary diffusion. This comparison has provided new important insight on the dependence of protein solubility on salt concentration. We remark that the dependence of the preferential-interaction coefficient as a function of salt concentration is substantially shaped by the common-ion effect. This effect plays a crucial role also on the observed behavior of lysozyme solubility. We find that the dependence of solubility on salt type and concentration strongly correlates with the corresponding dependence of the preferential-interaction coefficient. Examination of both preferential-interaction coefficients and second virial coefficients has allowed us to demonstrate that the solubility dependence on salt concentration is substantially affected by the corresponding change of protein chemical potential in the crystalline phase. We propose a simple model for the crystalline phase based on salt partitioning between solution and the hydrated protein crystal. A novel solubility equation is reported that quantitatively explains the observed experimental dependence of protein solubility on salt concentration.

The use of computational thermodynamics for the determination of surface tension and Gibbs-Thomson coefficient of multicomponent alloys

NASA Astrophysics Data System (ADS)

Ferreira, D. J. S.; Bezerra, B. N.; Collyer, M. N.; Garcia, A.; Ferreira, I. L.

2018-04-01

The simulation of casting processes demands accurate information on the thermophysical properties of the alloy; however, such information is scarce in the literature for multicomponent alloys. Generally, metallic alloys applied in industry have more than three solute components. In the present study, a general solution of Butler's formulation for surface tension is presented for multicomponent alloys and is applied in quaternary Al-Cu-Si-Fe alloys, thus permitting the Gibbs-Thomson coefficient to be determined. Such coefficient is a determining factor to the reliability of predictions furnished by microstructure growth models and by numerical computations of solidification thermal parameters, which will depend on the thermophysical properties assumed in the calculations. The Gibbs-Thomson coefficient for ternary and quaternary alloys is seldom reported in the literature. A numerical model based on Powell's hybrid algorithm and a finite difference Jacobian approximation has been coupled to a Thermo-Calc TCAPI interface to assess the excess Gibbs energy of the liquid phase, permitting liquidus temperature, latent heat, alloy density, surface tension and Gibbs-Thomson coefficient for Al-Cu-Si-Fe hypoeutectic alloys to be calculated, as an example of calculation capabilities for multicomponent alloys of the proposed method. The computed results are compared with thermophysical properties of binary Al-Cu and ternary Al-Cu-Si alloys found in the literature and presented as a function of the Cu solute composition.

Etude des interdiffusions en phase solide dans le contact Er/GaAs

NASA Astrophysics Data System (ADS)

Députier, S.; Guivarc'h, A.; Caulet, J.; Minier, M.; Guérin, R.

1994-05-01

Solid state interdiffusions between a thin film of erbium deposited under vacuum conditions and (001) and (111) GaAs substrates were investigated in the temperature range 350-800 ^{circ}C. Complementary analysis methods (RBS, X-ray diffraction) allow us to point out, according to annealing temperatures, successives steps of the interaction corresponding to different mixtures of phases, essentially binaries. These steps are strongly depending on the GaAs substrate orientation, especially the final step of the interdiffusions. On (001) GaAs, only two steps have been observed : no visible interaction is noticed between erbium and GaAs before 600 ^{circ}C ; the interaction begins at 600 ^{circ}C, evolves slightly and leads at 800 ^{circ}C to the nominal composition " Er{10}GaAs " which corresponds to a mixture of several phases Er5Ga3, Er and ErAs. On (111) GaAs, several steps of interaction have been found ; first of all, erbium reacts with the substrate at 400 ^{circ}C (Er5Ga3 + Er mixture), then the reaction is continuing at 600 ^{circ}C (Er5Ga3 + Er + ErAs mixture) before reaching at 800 ^{circ}C the nominal composition " Er{1,5}GaAs ", which is in fact a mixture of the three binaries ErAs + ErGa2 + Er3Ga5. It can be noticed that the 800 ^{circ}C annealing is not sufficient to reach the mixture of the phases ErAs + Ga which, according to the ternary phase diagram, should be the final stage of the interaction Er/GaAs. The analysis of the Er/GaAs interdiffusions shows that ErAs is the " key " compound around which the interaction progresses. This compound appears as an ideal candidate to realize epitaxial ErAs/GaAs heterostructures. Les interdiffusions en phase solide entre une couche mince d'erbium déposée dans des conditions d'ultra-vide et des substrats de GaAs orientés (001) et (111) ont été étudiées après des traitements thermiques d'une heure entre 350 et 800 ^{circ}C. L'utilisation de techniques complémentaires d'analyse (RBS, diffraction X) a permis de mettre en évidence, en fonction de la température de recuit, plusieurs étapes successives d'interaction correspondant à des mélanges de phases, essentiellement des binaires. Elles dépendent fortement de l'orientation du substrat de GaAs, en particulier l'étape finale des interactions. Sur GaAs (001), seules deux étapes ont été observées : avant 600 ^{circ}C, il n'y a pas d'interaction visible de l'erbium avec le substrat ; celle-ci ne s'amorce qu'à 600 ^{circ}C pour n'évoluer ensuite que faiblement et conduire, à 800 ^{circ}C, à une composition nominale " Er{10}GaAs ", mélange des phases Er5Ga3 + Er + ErAs. Sur GaAs (111), plusieurs étapes d'interaction sont observées : l'erbium réagit avec le substrat dès 400 ^{circ}C (mélange des phases Er5Ga3 + Er), puis l'interaction se poursuit à 600 ^{circ}C (mélange Er5Ga3 + Er + ErAs) avant d'atteindre à 800 ^{circ}C la composition nominale " Er{1,5}GaAs ", constituée d'un mélange de grains des trois binaires ErAs + ErGa2 + Er3Ga5. Il faut noter que le recuit à 800 ^{circ}C n'est pas suffisant pour atteindre le mélange de phases Ga + ErAs qui, selon le diagramme ternaire, devrait être le stade ultime de l'interaction Er/GaAs. L'analyse des interdiffusions Er/GaAs montre que ErAs est le composé " clé " autour duquel pivote l'interaction Er/GaAs. Ce composé apparaît comme un candidat idéal pour la réalisation d'hétérostructures épitaxiées ErAs/GaAs.

InGaAs/InAsSb strained layer superlattices for mid-wave infrared detectors

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

Ariyawansa, Gamini, E-mail: gamini.ariyawansa.2@us.af.mil; Reyner, Charles J.; Steenbergen, Elizabeth H.

2016-01-11

Investigation of growth and properties of InGaAs/InAsSb strained layer superlattices, identified as ternary strained layer superlattices (ternary SLSs), is reported. The material space for the antimony-based SLS detector development is expanded beyond InAs/InAsSb and InAs/(In)GaSb by incorporating Ga into InAs. It was found that this not only provides support for strain compensation but also enhances the infrared (IR) absorption properties. A unique InGaAs/InAsSb SLS exists when the conduction band of InGaAs aligns with that of InAsSb. The bandgap of this specific InGaAs/InAsSb SLS can then be tuned by adjusting the thickness of both constituents. Due to the enhanced electron-hole wavefunctionmore » overlap, a significant increase in the absorption coefficient was theoretically predicted for ternary SLS as compared to current state-of-the-art InAs/InAsSb SLS structures, and an approximately 30%–35% increase in the absorption coefficient was experimentally observed. All the samples examined in this work were designed to have the same bandgap of approximately 0.240 eV (5.6 μm) at 150 K.« less

Multisubstrate biodegradation kinetics of naphthalene, phenanthrene, and pyrene mixtures

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

Guha, S.; Peters, C.A.; Jaffe, P.R.

Biodegradation kinetics of naphthalene, phenanthrene and pyrene were studied in sole-substrate systems, and in binary and ternary mixtures to examine substrate interactions. The experiments were conducted in aerobic batch aqueous systems inoculated with a mixed culture that had been isolated from soils contaminated with polycyclic aromatic hydrocarbons (PAHs). Monod kinetic parameters and yield coefficients for the individual parameters and yield coefficients for the individual compounds were estimated from substrate depletion and CO{sub 2} evolution rate data in sole-substrate experiments. In all three binary mixture experiments, biodegradation kinetics were comparable to the sole-substrate kinetics. In the ternary mixture, biodegradation of naphthalenemore » was inhibited and the biodegradation rates of phenanthrene and pyrene were enhanced. A multisubstrate form of the Monod kinetic model was found to adequately predict substrate interactions in the binary and ternary mixtures using only the parameters derived from sole-substrate experiments. Numerical simulations of biomass growth kinetics explain the observed range of behaviors in PAH mixtures. In general, the biodegradation rates of the more degradable and abundant compounds are reduced due to competitive inhibition, but enhanced biodegradation of the more recalcitrant PAHs occurs due to simultaneous biomass growth on multiple substrates. In PAH-contaminated environments, substrate interactions may be very large due to additive effects from the large number of compounds present.« less

Facet-Specific Ligand Interactions on Ternary AgSbS 2 Colloidal Quantum Dots

DOE PAGES

Choi, Hyekyoung; Kim, Sungwoo; Luther, Joseph M.; ...

2017-11-07

Silver dimetal chalcogenide (Ag-V-VI 2) ternary quantum dots (QDs) are emerging lead-free materials for optoelectronic devices due to their NIR band gaps, large absorption coefficients, and superior electronic properties. However, thin film-based devices of the ternary QDs still lag behind due to the lack of understanding of the surface chemistry, compared to that of lead chalcogenide QDs even with the same crystal structure. Here in this paper, the surface ligand interactions of AgSbS 2 QDs, synthesized with 1-dodecanethiol used as a stabilizer, are studied. For nonpolar (1 0 0) surfaces, it is suggested that the thiolate ligands are associated withmore » the crystal lattices, thus preventing surface oxidation by protecting sulfur after air-exposure, as confirmed through optical and surface chemical analysis. Otherwise, silver rich (1 1 1) surfaces are passivated by thiolate ligands, allowing ligand exchange processes for the conductive films. This in-depth investigation of the surface chemistry of ternary QDs will prompt the performance enhancement of their optoelectronic devices.« less

Efficient ternary organic solar cells with high absorption coefficient DIB-SQ as the third component

NASA Astrophysics Data System (ADS)

Qi, Hui-Xin; Yu, Bo-Han; Liu, Sai; Zhang, Miao; Ma, Xiao-Ling; Wang, Jian; Zhang, Fu-Jun

2018-05-01

Not Available Project supported by the National Natural Science Foundation of China (Grant Nos. 61675017, 61377029, and 61705161) and the National Training Program of Innovation and Entrepreneurship for Undergraduates, China (Grant No. 170170010).

Vibration effect on the Soret-induced convection of ternary mixture in a rectangular cavity heated from below

NASA Astrophysics Data System (ADS)

Lyubimova, T. P.; Zubova, N. A.

2017-06-01

This paper presents the results of numerical simulation of the Soret-induced convection of ternary mixture in the rectangular cavity elongated in horizontal direction in gravity field. The cavity has rigid impermeable boundaries. It is heated from the bellow and undergoes translational linearly polarized vibrations of finite amplitude and frequency in the horizontal direction. The problem is solved by finite difference method in the framework of full unsteady non-linear approach. The procedure of diagonalization of the molecular diffusion coefficient matrix is applied, allowing to eliminate cross-diffusion components in the equations and to reduce the number of the governing parameters. The calculations are performed for model ternary mixture with positive separation ratios of the components. The data on the vibration effect on temporal evolution of instantaneous and average fields and integral characteristics of the flow and heat and mass transfer at different levels of gravity are obtained.

Thermodiffusion in Ternary Mixtures of Water/Ethanol/Triethylene Glycol: First Report on the DCMIX3-Experiments Performed on the International Space Station

NASA Astrophysics Data System (ADS)

Triller, T.; Bataller, H.; Bou-Ali, M. M.; Braibanti, M.; Croccolo, F.; Ezquerro, J. M.; Galand, Q.; Gavaldà, Jna.; Lapeira, E.; Laverón-Simavilla, A.; Lyubimova, T.; Mialdun, A.; Zárate, J. M. Ortiz de; Rodríguez, J.; Ruiz, X.; Ryzhkov, I. I.; Shevtsova, V.; Vaerenbergh, S. Van; Köhler, W.

2018-05-01

We report on thermodiffusion experiments conducted on the International Space Station ISS during fall 2016. These experiments are part of the DCMIX (Diffusion and thermodiffusion Coefficients Measurements in ternary Mixtures) project, which aims at establishing a reliable data base of non-isothermal transport coefficients for selected ternary liquid mixtures. The third campaign, DCMIX3, focuses on aqueous systems with water/ethanol/triethylene glycol as an example, where sign changes of the Soret coefficient have already been reported for certain binary subsystems. Investigations have been carried out with the SODI (Selectable Optical Diagnostics Instrument) instrument, a Mach-Zehnder interferometer set up inside the Microgravity Science Glovebox in the Destiny Module of the ISS. Concentration changes within the liquids have been monitored in response to an external temperature gradient using phase-stepping interferometry. The complete data set has been made available in spring 2017. Due to additionally available measurement time, it was possible to collect a complete data set at 30∘C and an almost complete data set at 25∘C, which significantly exceeds the originally envisaged measurements at a single temperature only. All samples could be measured successfully. The SODI instrument and the DCMIX experiments have proven reliable and robust, allowing to extract meaningful data even in case of unforeseen laser instabilities. First assessments of the data quality have revealed six out of 31 runs with some problems in image contrast and/or phase step stability that will require more sophisticated algorithms. This publication documents all relevant parameters of the conducted experiments and also events that might have an influence on the final results. The compiled information is intended to serve as a starting point for all following data evaluations.

Thermodiffusion in Ternary Mixtures of Water/Ethanol/Triethylene Glycol: First Report on the DCMIX3-Experiments Performed on the International Space Station

NASA Astrophysics Data System (ADS)

Triller, T.; Bataller, H.; Bou-Ali, M. M.; Braibanti, M.; Croccolo, F.; Ezquerro, J. M.; Galand, Q.; Gavaldà, Jna.; Lapeira, E.; Laverón-Simavilla, A.; Lyubimova, T.; Mialdun, A.; Zárate, J. M. Ortiz de; Rodríguez, J.; Ruiz, X.; Ryzhkov, I. I.; Shevtsova, V.; Vaerenbergh, S. Van; Köhler, W.

2018-02-01

We report on thermodiffusion experiments conducted on the International Space Station ISS during fall 2016. These experiments are part of the DCMIX (Diffusion and thermodiffusion Coefficients Measurements in ternary Mixtures) project, which aims at establishing a reliable data base of non-isothermal transport coefficients for selected ternary liquid mixtures. The third campaign, DCMIX3, focuses on aqueous systems with water/ethanol/triethylene glycol as an example, where sign changes of the Soret coefficient have already been reported for certain binary subsystems. Investigations have been carried out with the SODI (Selectable Optical Diagnostics Instrument) instrument, a Mach-Zehnder interferometer set up inside the Microgravity Science Glovebox in the Destiny Module of the ISS. Concentration changes within the liquids have been monitored in response to an external temperature gradient using phase-stepping interferometry. The complete data set has been made available in spring 2017. Due to additionally available measurement time, it was possible to collect a complete data set at 30∘C and an almost complete data set at 25∘C, which significantly exceeds the originally envisaged measurements at a single temperature only. All samples could be measured successfully. The SODI instrument and the DCMIX experiments have proven reliable and robust, allowing to extract meaningful data even in case of unforeseen laser instabilities. First assessments of the data quality have revealed six out of 31 runs with some problems in image contrast and/or phase step stability that will require more sophisticated algorithms. This publication documents all relevant parameters of the conducted experiments and also events that might have an influence on the final results. The compiled information is intended to serve as a starting point for all following data evaluations.

Coupled CaAl-NaSi diffusion in plagioclase feldspar: Experiments and applications to cooling rate speedometry

NASA Astrophysics Data System (ADS)

Grove, Timothy L.; Baker, Michael B.; Kinzler, Rosamond J.

1984-10-01

The rate of CaAl-NaSi interdiffusion in plagioclase feldspar was determined under 1 atm anhydrous conditions over the temperature range 1400° to 1000°C in calcic plagioclase (An 80-81) by homogenizing coherent exsolution lamellae. The dependence of the average interdiffusion coefficient on temperature is given by the expression: D˜ = 10.99 ( cm 2/sec) exp (-123.4( kcal/mol)/RT), (T in °K). This value is for diffusion perpendicular to the (03 1¯) interface of the lamellae. CaAl-NaSi interdiffusion is 4 to 5 orders of magnitude slower than oxygen diffusion in the temperature range 1400° to 1200°C and possibly 10 orders of magnitude slower at subsolidus temperatures. The large differences in diffusion rates explain the apparent contradiction posed by the plagioclases of large layered intrusions ( e.g., the Skaergaard), which retain delicate Ca, Na compositional zoning profiles on the micron scale, but have undergone complete oxygen isotopic exchange with heated meteoric groundwater from the surrounding wall rocks. CaAl-NaSi diffusion is slow, the closure temperature is high (within the solidus-liquidus interval), and Ca-Na zoning is preserved. Oxygen diffusion is faster, the closure temperature is lower (350°-400°C) and the feldspars exchange oxygen with the low-temperature hydrothermal fluids. The complex micron-scale oscillatory zones in plagioclase can also be used as cooling rate speedometers for volcanic and plutonic plagioclase. Cooling histories typical of large mafic intrusions ( e.g. the Stillwater) are slow, begin at high initial temperatures (1200°C) and result in homogenization of oscillatory zones on the scale of 10 microns. The oscillatory zones found in the plagioclase of granodioritic plutons are preserved because cooling is initiated at a lower temperature (1000°C) limiting diffusion to submicron length scales despite the slow cooling rate of the intrusion.

Nanoscopic diffusion studies on III-V compound semiconductor structures: Experiment and theory

NASA Astrophysics Data System (ADS)

Gonzalez Debs, Mariam

The electronic structure of multilayer semiconductor heterostructures is affected by the detailed compositional profiles throughout the structure and at critical interfaces. The extent of interdiffusion across these interfaces places limits on both the processing time and temperatures for many applications based on the resultant compositional profile and associated electronic structure. Atomic and phenomenological methods were used in this work through the combination of experiment and theory to understand the nanoscopic mechanisms in complex heterostructures. Two principal studies were conducted. Tin diffusion in GaAs was studied by fitting complex experimental diffusion profiles to a phenomenological model which involved the diffusion of substitutional and interstitial dopant atoms. A methodology was developed combining both the atomistic model and the use of key features within these experimentally-obtained diffusion profiles to determine meaningful values of the transport and defect reaction rate parameters. Interdiffusion across AlSb/GaSb multi-quantum well interfaces was also studied. The chemical diffusion coefficient characterizing the AlSb/GaSb diffusion couple was quantitatively determined by fitting the observed photoluminescence (PL) peak shifts to the solution of the Schrodinger equation using a potential derived from the solution of the diffusion equation to quantify the interband transition energy shifts. First-principles calculations implementing Density Functional Theory were performed to study the thermochemistry of point defects as a function of local environment, allowing a direct comparison of interfacial and bulk diffusion phenomena within these nanoscopic structures. Significant differences were observed in the Ga and Al vacancy formation energies at the AlSb/GaSb interface when compared to bulk AlSb and GaSb with the largest change found for Al vacancies. The AlSb/GaSb structures were further studied using positron annihilation spectroscopy (PAS) to investigate the role of vacancies in the interdiffusion of Al and Ga in the superlattices. The PL and PAS experimental techniques together with the phenomenological and atomistic modeling allowed for the determination of the underlying mass transport mechanisms at the nanoscale.

Composition- and crystallinity-dependent thermoelectric properties of ternary BixSb2-xTey films

NASA Astrophysics Data System (ADS)

Kim, Jiwon; Lim, Jae-Hong; Myung, Nosang V.

2018-01-01

BixSb2-xTey films with controlled compositions were synthesized by a simple and cost-effective electrodeposition technique followed by post-annealing, for thermoelectric applications. Tailoring the chemical composition of ternary BixSb2-xTey materials is critical to adjust the carrier concentration and carrier type, which are crucial to determine their thermoelectric performance. Herein, the composition of electrodeposited BixSb2-xTey film was simply tailored by controlling the [Sb]/[Bi] ratio in the electrolytes while maintaining their dense and uniform morphology. Crystallographic properties of the BixSb2-xTey films, such as crystallinity and grain size changes, were confirmed by X-ray diffraction. Room-temperature measurements of electrical conductivity, Hall mobility, and carrier concentration revealed that the substitution of Bi with Sb decreased the carrier concentration, and increased the mobility. The Seebeck coefficient of the ternary BixSb2-xTey films transitioned between p- and n-type characteristics with an increase in the Bi content. Moreover, the mobility-dependent electrical conductivity of the Bi10Sb30Te60 film resulted in a high Seebeck coefficient owing to decreased carrier concentration of the film, leading to a power factor (PF) of ∼490 μW/m K2. This is more than 10 times higher than the PF values of binary nanocrystalline Sb2Te3 films.

The tracer diffusion coefficient of soft nanoparticles in a linear polymer matrix

DOE PAGES

Imel, Adam E.; Rostom, Sahar; Holley, Wade; ...

2017-03-09

The diffusion properties of nanoparticles in polymer nanocomposites are largely unknown and are often difficult to determine experimentally. To address this shortcoming, we have developed a novel method to determine the tracer diffusion coefficient of soft polystyrene nanoparticles in a linear polystyrene matrix. Monitoring the interdiffusion of soft nanoparticles into a linear polystyrene matrix provides the mutual diffusion coefficient of this system, from which the tracer diffusion coefficient of the soft nanoparticle can be determined using the slow mode theory. Utilizing this protocol, the role of nanoparticle molecular weight and rigidity on its tracer diffusion coefficient is provided. These resultsmore » demonstrate that the diffusive behavior of these soft nanoparticles differ from that of star polymers, which is surprising since our recent studies suggest that the nanoparticle interacts with a linear polymer similarly to that of a star polymer. It appears that these deformable nanoparticles mostly closely mimic the diffusive behavior of fractal macromolecular architectures or microgels, where the transport of the nanoparticle relies on the cooperative motion of neighboring linear chains. Finally, the less cross-linked, and thus more deformable, nanoparticles diffuse faster than the more highly crosslinked nanoparticles, presumably because the increased deformability allows the nanoparticle to distort and fit into available space.« less

First-principles investigation of thermodynamic and kinetic properties in titanium-hydrogen system and B2-nickel-alminum compound: Phase stability, point defect complexes and diffusion

NASA Astrophysics Data System (ADS)

Xu, Qingchuan

The purpose of this thesis is to show the technique of predicting thermodynamic and kinetic properties from first-principles using density functional theory (DFT) calculations, cluster expansion methods and Monte Carlo simulations instead of experiments. Two material systems are selected as examples: one is an interstitial system (Ti-H system) and another is a substitutional compound (B2-NiAl alloy). For Ti-H system, this thesis investigated hydride stability, exploring the role of configurational degrees of freedom, zero-point vibrational energy and coherency strains. The tetragonal gamma-TiH phase was predicted to be unstable relative to hcp alpha-Ti and fcc based delta-TiH2. Zero point vibrational energy makes the gamma phase even less stable. The coherency strains between hydride precipitates and alpha-Ti matrix stabilize gamma-TiH relative to alpha-Ti and delta-TiH2. We also found that hydrogen prefers octahedral sites at low hydrogen concentration and tetrahedral sites at high concentration. For B2-NiAl, this thesis investigated the point defects and various diffusion mechanisms. A low barrier collective hop was discovered that could mediate Al diffusion through the anti-structural-bridge (ASB) mechanism. We also found an alternative hop sequence for the migration of a triple defect and a six-jump-cycle than that proposed previously. Going beyond the mean field approximation, we found that the inclusion of interactions among point defects is crucial to predict the concentration of defect complexes. Accounting for interactions among defects and incorporating all diffusion mechanisms proposed for B2-NiAl in Monte Carlo simulation, we calculated tracer diffusion coefficients. For the first time, the relative importance of various diffusion mechanisms is revealed. The ASB hop is the dominant mechanism for Ni in Ni-rich alloy and for Al diffusion in Al-rich alloys. Other mechanisms also play a role to various extents. We also calculated the self and interdiffusion coefficients for B2-NiAl. We found in Al-rich alloys that the thermodynamic factor of Al is much greater than that of Ni while in Ni-rich alloys they are very similar. This difference in thermodynamic factors results in a much higher self-diffusion coefficient of Al compared to that of Ni in Al-rich alloys and also causes two different interdiffusion coefficients.

2-Hydroxypropyltrimethylammonium xylan adsorption onto rod-like cellulose nanocrystal.

PubMed

Sim, Jae Hyun; Dong, Shuping; Röemhild, Katrin; Kaya, Abdulaziz; Sohn, Daewon; Tanaka, Keiji; Roman, Maren; Heinze, Thomas; Esker, Alan R

2015-02-15

Chemical incompatibility and relatively weak interaction between lignocellulosic fibers and synthetic polymers have made studies of wood fiber-thermoplastic composite more challenging. In this study, adsorption of 2-hydroxypropyltrimethylammonium xylans onto rod-like cellulose nanocrystals are investigated by zeta-potential measurements, and polarized and depolarized dynamic light scattering as a factor for better understanding of lignocellulosic fibers and cellulose nanocrystals. Zeta-potential measurements show xylan derivative adsorption onto cellulose nanocrystals. Decay time distributions of the ternary system and binary system from dynamic light scattering show that aggregates exist in the binary system and they disappear in the ternary system. At low 2-hydroxypropyltrimethylammonium xylan concentrations relative to that of cellulose nanocrystal, xylan derivatives adsorbed onto some of the cellulose nanocrystal. Hence, more xylan derivatives adsorbed onto cellulose nanocrystal increased with increasing xylan derivative concentration. Also, the concentration dependence of the ratio of the rotational diffusion coefficient to the translational diffusion coefficient revealed a strong adsorptive interaction between xylan derivatives and the cellulose nanocrystals. Copyright © 2014 Elsevier Inc. All rights reserved.

Synthesis and optical characterization of ternary chalcogenide Cu3BiS3 thin film by spin coating

NASA Astrophysics Data System (ADS)

Rawal, Neha; Hadi, Mohammed Kamal; Modi, B. P.

2017-05-01

In this work, ternary Chalcogenide Cu3BiS3(CBS) thin films have been prepared and modified by using spin coating technique. Lucratively, spin coating technique is easy going and simple though it hasn't given an enclosure and extensive focus of researches for Cu3BiS3 thin films formation. The surface smoothness and the homogeneity of the obtained thin films have been optimized throughout varying the annealing temperature, concentration and rotation speed. It had been found that as prepared films the value of the energy band gap is 1.4 eV, the absorption coefficient 105 cm-1. Each values of the EBG (Energy Band Gap) and AC (Absorption coefficient) was found in quite agreement with the published work of CBS thin film formation by other methods as CBD, dip coating etc. It signifies that Cu3BiS3 films can be used as an absorber layer for thin film solar cell.

InGaAs/GaAs Quantum Dots: Effects of Ensemble Interactions, Interdiffusion, Segregation and Proton Irradiation

NASA Technical Reports Server (NTRS)

Leon, R.

2000-01-01

A sumary or recent experimental findings on the effects of interdiffusion, segregation, strained ensemble interactions and proton irradiation on the optical properties of InGaAs/GaAs quantum dots (QDs) are presented.

Annealing effects in plated-wire memory elements. I - Interdiffusion of copper and Permalloy.

NASA Technical Reports Server (NTRS)

Knudson, C. I.; Kench, J. R.

1971-01-01

Results of investigations using X-ray diffraction and electron-beam microprobe techniques have shown that copper and Permalloy platings interdiffuse at low temperatures when plated-wire memory elements are annealed for times as short as 50 hr. Measurable interdiffusion between Permalloy platings and gold substrates does not occur in similar conditions. Both magnetic and compositional changes during aging are found to occur by a thermally activated process with activation energies around 38 kcal/mol. It is shown, however, that copper-diffusion and magnetic-dispersion changes during aging are merely concurrent processes, neither being the other's cause.

Interdiffusion of Polycarbonate in Fused Deposition Modeling Welds

NASA Astrophysics Data System (ADS)

Seppala, Jonathan; Forster, Aaron; Satija, Sushil; Jones, Ronald; Migler, Kalman

2015-03-01

Fused deposition modeling (FDM), a now common and inexpensive additive manufacturing method, produces 3D objects by extruding molten polymer layer-by-layer. Compared to traditional polymer processing methods (injection, vacuum, and blow molding), FDM parts have inferior mechanical properties, surface finish, and dimensional stability. From a polymer processing point of view the polymer-polymer weld between each layer limits the mechanical strength of the final part. Unlike traditional processing methods, where the polymer is uniformly melted and entangled, FDM welds are typically weaker due to the short time available for polymer interdiffusion and entanglement. To emulate the FDM process thin film bilayers of polycarbonate/d-polycarbonate were annealed using scaled times and temperatures accessible in FDM. Shift factors from Time-Temperature Superposition, measured by small amplitude oscillatory shear, were used to calculate reasonable annealing times (min) at temperatures below the actual extrusion temperature. The extent of interdiffusion was then measured using neutron reflectivity. Analogous specimens were prepared to characterize the mechanical properties. FDM build parameters were then related to interdiffusion between welded layers and mechanical properties. Understating the relationship between build parameters, interdiffusion, and mechanical strength will allow FDM users to print stronger parts in an intelligent manner rather than using trial-and-error and build parameter lock-in.

Structural and Thermodynamic Factors of Suppressed Interdiffusion Kinetics in Multi-component High-entropy Materials

PubMed Central

Chang, Shou-Yi; Li, Chen-En; Huang, Yi-Chung; Hsu, Hsun-Feng; Yeh, Jien-Wei; Lin, Su-Jien

2014-01-01

We report multi-component high-entropy materials as extraordinarily robust diffusion barriers and clarify the highly suppressed interdiffusion kinetics in the multi-component materials from structural and thermodynamic perspectives. The failures of six alloy barriers with different numbers of elements, from unitary Ti to senary TiTaCrZrAlRu, against the interdiffusion of Cu and Si were characterized, and experimental results indicated that, with more elements incorporated, the failure temperature of the barriers increased from 550 to 900°C. The activation energy of Cu diffusion through the alloy barriers was determined to increase from 110 to 163 kJ/mole. Mechanistic analyses suggest that, structurally, severe lattice distortion strains and a high packing density caused by different atom sizes, and, thermodynamically, a strengthened cohesion provide a total increase of 55 kJ/mole in the activation energy of substitutional Cu diffusion, and are believed to be the dominant factors of suppressed interdiffusion kinetics through the multi-component barrier materials. PMID:24561911

Irradiation behavior of the interaction product of U-Mo fuel particle dispersion in an Al matrix

NASA Astrophysics Data System (ADS)

Kim, Yeon Soo; Hofman, G. L.

2012-06-01

Irradiation performance of U-Mo fuel particles dispersed in Al matrix is stable in terms of fuel swelling and is suitable for the conversion of research and test reactors from highly enriched uranium (HEU) to low enriched uranium (LEU). However, tests of the fuel at high temperatures and high burnups revealed obstacles caused by the interaction layers forming between the fuel particle and matrix. In some cases, fission gas filled pores grow and interconnect in the interdiffusion layer resulting in fuel plate failure. Postirradiation observations are made to examine the behavior of the interdiffusion layers. The interdiffusion layers show a fluid-like behavior characteristic of amorphous materials. In the amorphous interdiffusion layers, fission gas diffusivity is high and the material viscosity is low so that the fission gas pores readily form and grow. Based on the observations, a pore formation mechanism is proposed and potential remedies to suppress the pore growth are also introduced.

Mecanismes fondamentaux et dynamique d'interdiffusion dans les boites quantiques auto-assemblees InAs/InP

NASA Astrophysics Data System (ADS)

Dion, Carolyne

This thesis contributes both to the understanding of the fundamental mechanisms driving the intermixing process in the InAs/InP quantum dot (QD) system and to the development of effective intermixing techniques for the integration of these structures into the next generations of optoelectronic devices for optical telecommunications. More specifically, we study the interdiffusion occurring (i) during heterostructure growth and ( ii) under thermal annealing in structures subjected to grown-in defects (GID) introduced into epitaxial layer during growth at reduced temperatures, or damage created by low-energy phosphorus ion implantation (LEII). Interdiffusion is probed using photoluminescence (PL) spectroscopy in conjunction with calculations of optical transition energies obtained from a tight-binding model. These investigations are completed by structural analyses using transmission electron microscopy (TEM). The characterization of the self-assembled QDs produced from the heteroepitaxy of pure InAs on InP reveals that the structures are significantly interdiffused. All structures in a given sample have the same phosphorus concentration, with [P] varying from 6 to 10% depending on growth conditions. We suggest that such substantial P incorporation into InAs during heteroepitaxy results from the surface As/P exchange process as well as strain-driven alloying. We show that GID and LEII-mediated intermixing techniques are both promising for spatially selective band gap tuning of InAs/InP QDs, producing lower annealing temperature threshold for detectable PL modification and PL blueshifts up to ˜ 270 meV. Upon annealing, PL spectra from standard and GID samples exhibit progressive blueshifts without bandwidth broadening. In contrast, PL spectra from LEII samples show the rise of a high energy peak superimposed to the original spectrum, leading to an apparent overall blueshift with significant bandwidth broadening. On the other hand, as confirmed by TEM, the QD shape is found to convert from a truncated pyramid in the as-grown state into either a dome or double-convex lens in annealed GID and LEII samples, respectively. Based on the evolution of PL characteristics and QDs morphology, we demonstrate that thermally-induced intermixing and GID-enhanced intermixing are governed by the transport of group-V interstitials emanating from the InP epilayer, while LEII-enhanced intermixing is dominated by the motion of group-V vacancies released by the implantation damage. Finally, we determine the diffusion coefficients corresponding to these two atomistic diffusion mechanisms. Keywords: Semiconductors, InAs, InP, quantum dots, diffusion, intermixing, photoluminescence, transmission electron microscopy.

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

Choi, Hyekyoung; Kim, Sungwoo; Luther, Joseph M.

Silver dimetal chalcogenide (Ag-V-VI 2) ternary quantum dots (QDs) are emerging lead-free materials for optoelectronic devices due to their NIR band gaps, large absorption coefficients, and superior electronic properties. However, thin film-based devices of the ternary QDs still lag behind due to the lack of understanding of the surface chemistry, compared to that of lead chalcogenide QDs even with the same crystal structure. Here in this paper, the surface ligand interactions of AgSbS 2 QDs, synthesized with 1-dodecanethiol used as a stabilizer, are studied. For nonpolar (1 0 0) surfaces, it is suggested that the thiolate ligands are associated withmore » the crystal lattices, thus preventing surface oxidation by protecting sulfur after air-exposure, as confirmed through optical and surface chemical analysis. Otherwise, silver rich (1 1 1) surfaces are passivated by thiolate ligands, allowing ligand exchange processes for the conductive films. This in-depth investigation of the surface chemistry of ternary QDs will prompt the performance enhancement of their optoelectronic devices.« less

A new hybrid double divisor ratio spectra method for the analysis of ternary mixtures

NASA Astrophysics Data System (ADS)

Youssef, Rasha M.; Maher, Hadir M.

2008-10-01

A new spectrophotometric method was developed for the simultaneous determination of ternary mixtures, without prior separation steps. This method is based on convolution of the double divisor ratio spectra, obtained by dividing the absorption spectrum of the ternary mixture by a standard spectrum of two of the three compounds in the mixture, using combined trigonometric Fourier functions. The magnitude of the Fourier function coefficients, at either maximum or minimum points, is related to the concentration of each drug in the mixture. The mathematical explanation of the procedure is illustrated. The method was applied for the assay of a model mixture consisting of isoniazid (ISN), rifampicin (RIF) and pyrazinamide (PYZ) in synthetic mixtures, commercial tablets and human urine samples. The developed method was compared with the double divisor ratio spectra derivative method (DDRD) and derivative ratio spectra-zero-crossing method (DRSZ). Linearity, validation, accuracy, precision, limits of detection, limits of quantitation, and other aspects of analytical validation are included in the text.

Ionic transport in high-energy-density matter

DOE PAGES

Stanton, Liam G.; Murillo, Michael S.

2016-04-08

Ionic transport coefficients for dense plasmas have been numerically computed using an effective Boltzmann approach. Here, we developed a simplified effective potential approach that yields accurate fits for all of the relevant cross sections and collision integrals. These results have been validated with molecular-dynamics simulations for self-diffusion, interdiffusion, viscosity, and thermal conductivity. Molecular dynamics has also been used to examine the underlying assumptions of the Boltzmann approach through a categorization of behaviors of the velocity autocorrelation function in the Yukawa phase diagram. By using a velocity-dependent screening model, we examine the role of dynamical screening in transport. Implications of thesemore » results for Coulomb logarithm approaches are discussed.« less

Characterization and Modeling of Indium Gallium Antimonide Avalanche Photodiode and of Indium Gallium Arsenide Two-band Detector

NASA Technical Reports Server (NTRS)

2006-01-01

A model of the optical properties of Al(x)Ga(1-x)As(y)Sb(1-y) and In(x)Ga(1-x)As(y)Sb(1-y) is presented, including the refractive, extinction, absorption and reflection coefficients in terms of the optical dielectric function of the materials. Energy levels and model parameters for each binary compound are interpolated to obtain the needed ternaries and quaternaries for various compositions. Bowing parameters are considered in the interpolation scheme to take into account the deviation of the calculated ternary and quaternary values from experimental data due to lattice disorders. The inclusion of temperature effects is currently being considered.

Supercritical fluid in the mantle transition zone deduced from H-D interdiffusion of wadsleyite

NASA Astrophysics Data System (ADS)

Sun, Wei; Yoshino, Takashi; Sakamoto, Naoya; Yurimoto, Hisayoshi

2018-02-01

Knowledge of the distribution of water in the Earth's mantle is key to understanding the mantle convection and geochemical evolution of the Earth. As wadsleyite and ringwoodite can incorporate large amounts of water in their crystal structures, proton conduction has been invoked to account for the widespread conductive anomalies observed in the mantle wedge, where descending slab stagnates at the transition zone. However, there is a lot of controversy on whether proton conduction by itself is able to explain such anomalies, because of large discrepancy in the extent of the water effect deduced from previous electrical conductivity measurements on hydrous polycrystalline wadsleyite and ringwoodite. Here we report the hydrogen self-diffusion coefficient obtained from H-D interdiffusion experiments in wadsleyite single-crystal couples. Our results demonstrate that the effect of water on the electrical conductivity of wadsleyite is limited and hydrous wadsleyite by itself is unable to explain conductive anomalies in the transition zone. In contrast, the expected hydrogen effective diffusion does not allow the wide propagation of water between the stagnant slab and surrounding mantle, probably leading to persistence of local water saturation and continuous release of supercritical fluids at the stagnant slab roof on geological time scales. This phenomenon provides an alternative explanation for both the high-conductivity and seismic-velocity anomalies observed in the mantle wedge at the transition-zone depth.

Thermodynamics of concentrated electrolyte mixtures and the prediction of mineral solubilities to high temperatures for mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O

NASA Astrophysics Data System (ADS)

Pabalan, Roberto T.; Pitzer, Kenneth S.

1987-09-01

Mineral solubilities in binary and ternary electrolyte mixtures in the system Na-K-Mg-Cl-SO 4-OH-H 2O are calculated to high temperatures using available thermodynamic data for solids and for aqueous electrolyte solutions. Activity and osmotic coefficients are derived from the ion-interaction model of Pitzer (1973, 1979) and co-workers, the parameters of which are evaluated from experimentally determined solution properties or from solubility data in binary and ternary mixtures. Excellent to good agreement with experimental solubilities for binary and ternary mixtures indicate that the model can be successfully used to predict mineral-solution equilibria to high temperatures. Although there are currently no theoretical forms for the temperature dependencies of the various model parameters, the solubility data in ternary mixtures can be adequately represented by constant values of the mixing term θ ij and values of ψ ijk which are either constant or have a simple temperature dependence. Since no additional parameters are needed to describe the thermodynamic properties of more complex electrolyte mixtures, the calculations can be extended to equilibrium studies relevant to natural systems. Examples of predicted solubilities are given for the quaternary system NaCl-KCl-MgCl 2-H 2O.

Electronic and Thermoelectric Properties of Ternary Chalcohalide Semiconductors: First Principles Study

NASA Astrophysics Data System (ADS)

Khan, Wilayat; Hussain, Sajjad; Minar, Jan; Azam, Sikander

2018-02-01

Ternary chalcohalides have been widely utilized for different device applications. The thermoelectric properties of SbSI, SbSeI and SbSBr have been investigated by theoretical simulations, and the findings have been performed using BoltzTraP code, based on semi-classical Boltzmann transport theory. In this study, we simulated the electronic structures using the Englo-Vosko generalized gradient approximation employed in the WIEN2k program. From the electronic band structures, we found a combination of light and heavy bands around the Fermi level in the valence band, which strongly affect the effective masses of the carriers. The entire thermoelectric parameters, like the electrical, the electronic part of the thermal conductivities, the Seebeck coefficient and the power factor have been analysed as functions of temperature and chemical potential. The correlation between the effective masses and the thermoelectric properties is also included in the discussion because the effective mass reveals the mobility of the carriers which in turn affect the thermoelectric properties. The substitution of sulfur reveals high electrical conductivity and a smaller Seebeck coefficient based on effective mass leads to the increase in the power factor.

An effective approach to quantitative analysis of ternary amino acids in foxtail millet substrate based on terahertz spectroscopy.

PubMed

Lu, Shao Hua; Li, Bao Qiong; Zhai, Hong Lin; Zhang, Xin; Zhang, Zhuo Yong

2018-04-25

Terahertz time-domain spectroscopy has been applied to many fields, however, it still encounters drawbacks in multicomponent mixtures analysis due to serious spectral overlapping. Here, an effective approach to quantitative analysis was proposed, and applied on the determination of the ternary amino acids in foxtail millet substrate. Utilizing three parameters derived from the THz-TDS, the images were constructed and the Tchebichef image moments were used to extract the information of target components. Then the quantitative models were obtained by stepwise regression. The correlation coefficients of leave-one-out cross-validation (R loo-cv 2 ) were more than 0.9595. As for external test set, the predictive correlation coefficients (R p 2 ) were more than 0.8026 and the root mean square error of prediction (RMSE p ) were less than 1.2601. Compared with the traditional methods (PLS and N-PLS methods), our approach is more accurate, robust and reliable, and can be a potential excellent approach to quantify multicomponent with THz-TDS spectroscopy. Copyright © 2017 Elsevier Ltd. All rights reserved.

Ternary NiFeX as soft biasing film in a magnetoresistive sensor

NASA Astrophysics Data System (ADS)

Chen, Mao-Min; Gharsallah, Neila; Gorman, Grace L.; Latimer, Jacquie

1991-04-01

The properties of NiFeX ternary films (X being Al, Au, Nb, Pd, Pt, Si, and Zr) have been studied for soft-film biasing of the magnetoresistive (MR) trilayer sensor. In general, the addition of the element X into the NiFe alloy film decreases the saturation magnetization Bs and magnetoresistance coefficient of the film, while increasing the film's electrical resistivity ρ. One of the desirable properties of a soft film for biasing is high sheet resistance for minimum current flow. A figure of merit Bsρ that takes into account both the rate of increase in Bs and the rate of decrease in ρ when adding X element was derived to compare the effectiveness of various X elements in reducing the current shunting through the soft-film layer. Using this criterion, NiFeNb and NiFeZr emerge as good soft-film materials having a maximum sheet resistance relative to the MR layer. Other critical properties such as magnetoresistance coefficient, magnetostriction, coercivity, and anisotropy field were also examined and are discussed in this paper.

Interdiffusion behavior of tungsten or rhenium and group 5 and 6 elements and alloys of the periodic table, part 1. [at dissimilar metal joints

NASA Technical Reports Server (NTRS)

Arcella, F. G.

1974-01-01

Arc cast W, CVD W, CVD Re, and powder metallurgy Re materials were hot isostatically pressure welded to ten different refractory metals and alloys (Cb, Cb-1Zr, Ta, Ta-10W, T-111, ASTAR-811C, W-25Re, Mo-50Re, W-30Re-20Mo, ect.) and thermally aged at 10 to the minus 8th power torr at 1200, 1500, 1630, 1800, and 2000 C for 100 to 2000 hours. Electron beam microprobe analysis was used to characterize the interdiffusion zone width of each couple system as a function of age time and temperature. Extrapolations of interdiffusion zone thickness to 10,000 hours were made. Classic interdiffusion analysis was performed for several of the systems by Boltzmann-Matano analysis. A method of inhibiting Kirkendall voids from forming during thermal ageing of dissimilar metal junctions was devised and experimentally demonstrated. An electron beam weld study of Cb-1Zr to Re and W-25Re demonstrated the limited acceptability of these welds.

[Evaluation of the Peusner's coefficients matrix for polymeric membrane and ternary non-electrolyte solutions].

PubMed

Jasik-Slęzak, Jolanta; Slęzak-Prochazka, Izabella; Slęzak, Andrzej

2014-01-01

A system of network forms of Kedem-Katchalsky (K-K) equations for ternary non-electrolyte solutions is made of eight matrix equations containing Peusner's coefficients R(ij), L(ij), H(ij), W(ij), K(ij), N(ij), S(ij) or P(ij) (i, j ∈ {1, 2, 3}). The equations are the result of symmetric or hybrid transformation of the classic form of K-K equations by the use of methods of Peusner's network thermodynamics (PNT). Calculating concentration dependences of the determinant of Peusner's coefficients matrixes R(ij), L(ij), H(ij), W(ij), S(ij), N(ij), K(ij) and P(ij) (i, j ∈ {1, 2, 3}). The material used in the experiment was a hemodialysis Nephrophan membrane with specified transport properties (L(p), σ, Ω) in aqueous glucose and ethanol solution. The method involved equations for determinants of the matrixes coefficients R(ij), L(ij), H(ij), W(ij), S(ij), N(ij), K(ij) or P(ij) (i, j ∈ {1, 2, 3}). The objective of calculations were dependences of determinants of Peusner's coeffcients matrixes R(ij), L(ij), H(ij), W(ij), S(ij), N(ij), K(ij) or P(ij) (i, j ∈ {1, 2, 3}) within the conditions of solution homogeneity upon an average concentration of one component of solution in the membrane (C1) with a determined value of the second component (C2). The method of calculating the determinants of Peusner's coeffcients matrixes R(ij), L(ij), H(ij), W(ij), S(ij), N(ij), K(ij) or P(ij) (i, j ∈ {1, 2, 3}) is a new tool that may be applicable in studies on membrane transport. Calculations showed that the coefficients are sensitive to concentration and composition of solutions separated by a polymeric membrane.

Kinetics of diffusional droplet growth in a liquid/liquid two-phase system

NASA Technical Reports Server (NTRS)

Baird, James K.; Cain, Judith B.

1993-01-01

This report contains experimental results for the interdiffusion coefficient of the system, succinonitrile plus water, at a number of compositions and temperatures in the single phase region of the phase diagram. The concentration and temperature dependence of the measured diffusion coefficient has been analyzed in terms of Landau - Ginzburg theory, which assumes that the Gibb free energy is an analytic function of its variables, and can be expanded in a Taylor series about any point in the phase diagram. At most points in the single phase region this is adequate. Near the consolute point (critical point of solution), however, the free energy is non-analytic, and the Landau - Ginzburg theory fails. The solution to this problem dictates that the Landau - Ginzburg form of the free energy be replaced by Widom scaling functions with irrational values for the scaling exponents. As our measurements of the diffusion coefficient near the critical point reflect this non-analytic character, we are preparing for publication in a refereed journal a separate analysis of some of the data contained herein as well as some additional measurements we have just completed. When published, reprints of this article will be furnished to NASA.

Contribution to the benchmark for ternary mixtures: Transient analysis in microgravity conditions.

PubMed

Ahadi, Amirhossein; Ziad Saghir, M

2015-04-01

We present a transient experimental analysis of the DCMIX1 project conducted onboard the International Space Station for a ternary tetrahydronaphtalene, isobutylbenzene, n-dodecane mixture. Raw images taken in microgravity environment using the SODI (Selectable Optical Diagnostic) apparatus which is equipped with two wavelength diagnostic were processed and the results were analyzed in this work. We measured the concentration profile of the mixture containing 80% THN, 10% IBB and 10% nC12 during the entire experiment using an advanced image processing technique and accordingly we determined the Soret coefficients using an advanced curve-fitting and post-processing technique. It must be noted that the experiment has been repeated five times to ensure the repeatability of the experiment.

Crystal structure and physical properties of a novel Kondo antiferromagnet: U3Ru4Al12

NASA Astrophysics Data System (ADS)

Pasturel, M; Tougait, O; Potel, M; Roisnel, T; Wochowski, K; Noël, H; Troć, R

2009-03-01

A novel ternary compound U3Ru4Al12 has been identified in the U-Ru-Al ternary diagram. Single-crystal x-ray diffraction indicates a hexagonal Gd3Ru4Al12-type structure for this uranium-based intermetallic. While this structure type usually induces geometrically a spin-glass behaviour, an antiferromagnetic ordering is observed at TN = 8.4 K in the present case. The reduced effective magnetic moment of U atoms (μeff = 2.6 µB) can be explained by Kondo-like interactions and crystal field effects that have been identified by a logarithmic temperature dependence of the electrical resistivity, negative values of the magnetoresistivity and particular shape of the Seebeck coefficient.

[Fast optimization of stepwise gradient conditions for ternary mobile phase in reversed-phase high performance liquid chromatography].

PubMed

Shan, Yi-chu; Zhang, Yu-kui; Zhao, Rui-huan

2002-07-01

In high performance liquid chromatography, it is necessary to apply multi-composition gradient elution for the separation of complex samples such as environmental and biological samples. Multivariate stepwise gradient elution is one of the most efficient elution modes, because it combines the high selectivity of multi-composition mobile phase and shorter analysis time of gradient elution. In practical separations, the separation selectivity of samples can be effectively adjusted by using ternary mobile phase. For the optimization of these parameters, the retention equation of samples must be obtained at first. Traditionally, several isocratic experiments are used to get the retention equation of solute. However, it is time consuming especially for the separation of complex samples with a wide range of polarity. A new method for the fast optimization of ternary stepwise gradient elution was proposed based on the migration rule of solute in column. First, the coefficients of retention equation of solute are obtained by running several linear gradient experiments, then the optimal separation conditions are searched according to the hierarchical chromatography response function which acts as the optimization criterion. For each kind of organic modifier, two initial linear gradient experiments are used to obtain the primary coefficients of retention equation of each solute. For ternary mobile phase, only four linear gradient runs are needed to get the coefficients of retention equation. Then the retention times of solutes under arbitrary mobile phase composition can be predicted. The initial optimal mobile phase composition is obtained by resolution mapping for all of the solutes. A hierarchical chromatography response function is used to evaluate the separation efficiencies and search the optimal elution conditions. In subsequent optimization, the migrating distance of solute in the column is considered to decide the mobile phase composition and sustaining time of the latter steps until all the solutes are eluted out. Thus the first stepwise gradient elution conditions are predicted. If the resolution of samples under the predicted optimal separation conditions is satisfactory, the optimization procedure is stopped; otherwise, the coefficients of retention equation are adjusted according to the experimental results under the previously predicted elution conditions. Then the new stepwise gradient elution conditions are predicted repeatedly until satisfactory resolution is obtained. Normally, the satisfactory separation conditions can be found only after six experiments by using the proposed method. In comparison with the traditional optimization method, the time needed to finish the optimization procedure can be greatly reduced. The method has been validated by its application to the separation of several samples such as amino acid derivatives, aromatic amines, in which satisfactory separations were obtained with predicted resolution.

Contribution of atom-probe tomography to a better understanding of glass alteration mechanisms: Application to a nuclear glass specimen altered 25 years in a granitic environment

DOE PAGES

Gin, Stephane; Ryan, Joseph V.; Schreiber, Daniel K.; ...

2013-04-08

Here, we report and discuss results of atom probe tomography (APT) and energy-filtered transmission electron microscopy (EFTEM) applied to a borosilicate glass sample of nuclear interest altered for nearly 26 years at 90°C in a confined granitic medium in order to better understand the rate-limiting mechanisms under conditions representative of a deep geological repository for vitrified radioactive waste. The APT technique allows the 3D reconstruction of the elemental distribution at the reactive interphase with sub-nanometer precision. Profiles of the B distribution at pristine glass/hydrated glass interface obtained by different techniques are compared to show the challenge of accurate measurements ofmore » diffusion profiles at this buried interface on the nanometer length scale. Our results show that 1) Alkali from the glass and hydrogen from the solution exhibit anti-correlated 15 ± 3 nm wide gradients located between the pristine glass and the hydrated glass layer, 2) boron exhibits an unexpectedly sharp profile located just at the outside of the alkali/H interdiffusion layer; this sharp profile is more consistent with a dissolution front than a diffusion-controlled release of boron. The resulting apparent diffusion coefficients derived from the Li and H profiles are D Li = 1.5 × 10 -22 m 2.s -1 and D H = 6.8 × 10 -23 m 2.s -1. These values are around two orders of magnitude lower than those observed at the very beginning of the alteration process, which suggests that interdiffusion is slowed at high reaction progress by local conditions that could be related to the porous structure of the interphase. As a result, the accessibility of water to the pristine glass could be the rate-limiting step in these conditions. More generally, these findings strongly support the importance of interdiffusion coupled with hydrolysis reactions of the silicate network on the long-term dissolution rate, contrary to what has been suggested by recent interfacial dissolution-precipitation models for silicate minerals.« less

Nucleation of the Widmanstatten Pattern in Iron Meteorites

NASA Technical Reports Server (NTRS)

Yang, J.; Goldstein, J. I.

2004-01-01

The Widmanstatten pattern develops at low temperatures during the evolution of the asteroids. We have studied the origin of the Widmanstatten pattern in order to obtain metallographic cooling rates in the temperature range (approx. 700 to 300 deg C). This paper summarizes our recent evaluation of the various mechanisms for the formation of the Widmanstatten pattern. All chemical groups of the iron meteorites are considered. We also propose a new mechanism for the formation of the Widmanstatten pattern in the low P metal phase of iron, stony-iron and stony meteorites. The results of this evaluation enables us to more accurately determine metallographic cooling rates particularly when incorporated with other recent advances in Fe-Ni and Fe-Ni (P saturated) phase diagrams and interdiffusion coefficients.

Partial to complete wetting transitions in immiscible ternary blends with PLA: the influence of interfacial confinement.

PubMed

Zolali, Ali M; Favis, Basil D

2017-04-12

In this study it is shown that the three different intermediate phases in melt blended ternary PLA/PHBV/PBS, PLA/PBAT/PE and PLA/PE/PBAT systems all demonstrate partial wetting, but have very different wetting behaviors as a function of composition and annealing. The interfacial tension of the various components, their spreading coefficients and the contact angles of the confined partially wet droplets at the interface are examined in detail. A wetting transition from partially wet droplets to a complete layer at the interface is observed for both PHBV and PBAT by increasing the concentration and also by annealing. In contrast, in PLA/PE/PBAT, the partially wet droplets of PE at the interface of PLA/PBAT coalesce and grow in size, but remain partially wet even at a high PE concentration of 20% and after 30 min of quiescent annealing. The dewetting speed of the intermediate phase is found to be the principal factor controlling these wetting transitions. This work shows the significant potential for controlled wetting and structuring in ternary polymer systems.

Methods for forming thin-film heterojunction solar cells from I-III-VI{sub 2}

DOEpatents

Mickelsen, R.A.; Chen, W.S.

1985-08-13

An improved thin-film, large area solar cell, and methods for forming the same are disclosed, having a relatively high light-to-electrical energy conversion efficiency and characterized in that the cell comprises a p-n type heterojunction formed of: (i) a first semiconductor layer comprising a photovoltaic active material selected from the class of I-III-VI{sub 2} chalcopyrite ternary materials which is vacuum deposited in a thin ``composition-graded`` layer ranging from on the order of about 2.5 microns to about 5.0 microns ({approx_equal}2.5 {mu}m to {approx_equal}5.0 {mu}m) and wherein the lower region of the photovoltaic active material preferably comprises a low resistivity region of p-type semiconductor material having a superimposed region of relatively high resistivity, transient n-type semiconductor material defining a transient p-n homojunction; and (ii) a second semiconductor layer comprising a low resistivity n-type semiconductor material; wherein interdiffusion occurs (a) between the elemental constituents of the two discrete juxtaposed regions of the first semiconductor layer defining a transient p-n homojunction layer, and (b) between the transient n-type material in the first semiconductor layer and the second n-type semiconductor layer. 16 figs.

Methods for forming thin-film heterojunction solar cells from I-III-VI[sub 2

DOEpatents

Mickelsen, R.A.; Chen, W.S.

1982-06-15

An improved thin-film, large area solar cell, and methods for forming the same are disclosed, having a relatively high light-to-electrical energy conversion efficiency and characterized in that the cell comprises a p-n type heterojunction formed of: (1) a first semiconductor layer comprising a photovoltaic active material selected from the class of I-III-VI[sub 2] chalcopyrite ternary materials which is vacuum deposited in a thin composition-graded'' layer ranging from on the order of about 2.5 microns to about 5.0 microns ([approx equal]2.5[mu]m to [approx equal]5.0[mu]m) and wherein the lower region of the photovoltaic active material preferably comprises a low resistivity region of p-type semiconductor material having a superimposed region of relatively high resistivity, transient n-type semiconductor material defining a transient p-n homojunction; and (2), a second semiconductor layer comprising a low resistivity n-type semiconductor material; wherein interdiffusion (a) between the elemental constituents of the two discrete juxtaposed regions of the first semiconductor layer defining a transient p-n homojunction layer, and (b) between the transient n-type material in the first semiconductor layer and the second n-type semiconductor layer, is allowed.

Effect of interdiffusion and external magnetic field on electronic states and light absorption in Gaussian-shaped double quantum ring

NASA Astrophysics Data System (ADS)

Aziz-Aghchegala, V. L.; Mughnetsyan, V. N.; Kirakosyan, A. A.

2018-02-01

The effect of interdiffusion and magnetic field on confined states of electron and heavy hole as well as on interband absorption spectrum in a Ga1-xAlxAs/GaAs Gaussian-shaped double quantum ring are investigated. It is shown that both interdiffusion and magnetic field lead to the change of the charge carriers' quantum states arrangement by their energies. The oscillating behavior of the electron ground state energy as a function of magnetic field induction gradually disappears with the increase of diffusion parameter due to the enhanced tunneling of electron to the central region of the ring. For the heavy hole the ground state energy oscillations are not observable in the region of the values of magnetic field induction B = 0 - 10 T . For considered transitions both the magnetic field and the interdiffusion lead to a blue-shift of the absorption spectrum and to decreasing of the absorption intensity. The obtained results indicate on the opportunity of purposeful manipulation of energy states and absorption spectrum of a Gaussian-shaped double quantum ring by means of the post growth annealing and the external magnetic field.

Microstructure studies of interdiffusion behavior of U 3Si 2/Zircaloy-4 at 800 and 1000 °C

DOE PAGES

He, Lingfeng; Harp, Jason M.; Hoggan, Rita E.; ...

2017-01-22

Fuel swelling during normal reactor operations could lead to unfavorable chemical interactions when in contact with its cladding. As new fuel types are developed, it is crucial to understand the interaction behavior between fuel and its cladding. Diffusion experiments between U 3Si 2 and Zricaloy-4 (Zry-4) were conducted at 800 and 1000°C up to 100 hours. The microstructure of pristine U 3Si 2 and U 3Si 2/Zry-4 interdiffusion products were examined using scanning electron microscopy (SEM) and transmission electron microscopy (TEM) equipped with an energy dispersive X-ray spectroscopy (EDS) system. The primary interdiffusion product observed at 800°C is ZrSi 2,more » with secondary phases of U-Zr in the Zry-4, and Fe-Cr-W-Zr-Si phases at Zry-4/ZrSi 2 interface and Fe-Cr-U-Si phases at ZrSi 2/U-Si interface. As a result, the primary interdiffusion products at 1000°C were Zr 2Si, U-Zr-Fe-Ni, U, U-Zr, and a low melting point phase U 6Fe.« less

Multichannel Interdiffusion Driven FASnI3 Film Formation Using Aqueous Hybrid Salt/Polymer Solutions toward Flexible Lead-Free Perovskite Solar Cells.

PubMed

Xi, Jun; Wu, Zhaoxin; Jiao, Bo; Dong, Hua; Ran, Chenxin; Piao, Chengcheng; Lei, Ting; Song, Tze-Bin; Ke, Weijun; Yokoyama, Takamichi; Hou, Xun; Kanatzidis, Mercouri G

2017-06-01

Tin (Sn)-based perovskites are increasingly attractive because they offer lead-free alternatives in perovskite solar cells. However, depositing high-quality Sn-based perovskite films is still a challenge, particularly for low-temperature planar heterojunction (PHJ) devices. Here, a "multichannel interdiffusion" protocol is demonstrated by annealing stacked layers of aqueous solution deposited formamidinium iodide (FAI)/polymer layer followed with an evaporated SnI 2 layer to create uniform FASnI 3 films. In this protocol, tiny FAI crystals, significantly inhibited by the introduced polymer, can offer multiple interdiffusion pathways for complete reaction with SnI 2 . What is more, water, rather than traditional aprotic organic solvents, is used to dissolve the precursors. The best-performing FASnI 3 PHJ solar cell assembled by this protocol exhibits a power conversion efficiency (PCE) of 3.98%. In addition, a flexible FASnI 3 -based flexible solar cell assembled on a polyethylene naphthalate-indium tin oxide flexible substrate with a PCE of 3.12% is demonstrated. This novel interdiffusion process can help to further boost the performance of lead-free Sn-based perovskites. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Stuffed MO layer as a diffusion barrier in metallizations for high temperature electronics

NASA Technical Reports Server (NTRS)

Boah, J. K.; Russell, V.; Smith, D. P.

1981-01-01

Auger electron spectroscopy was employed to characterize the diffusion barrier properties of molybdenum in the CrSi2/Mo/Au metallization system. The barrier action of Mo was demonstrated to persist even after 2000 hours annealing time at 300 C in a nitrogen ambient. At 340 C annealing temperature, however, rapid interdiffusion was observed to have occurred between the various metal layers after only 261 hours. The presence of controlled amounts of oxygen in the Mo layer is believed to be responsible for suppressing the short circuit interdiffusion between the thin film layers. Above 340 C, its is believed that the increase in the oxygen mobility led to deterioration of its stuffing action, resulting in the rapid interdiffusion of the thin film layers along grain boundaries.

Thermally Induced Interdiffusion and Precipitation in a Ni/Ni 3 Al System

DOE PAGES

Sun, C.; Martinez, E.; Aguiar, J. A.; ...

2015-05-20

Ordered Ni 3Al intermetallic precipitates constitute the main hardening sources of Ni-based superalloys. Here, we report the interdiffusion and precipitation behavior in a Ni/Ni3Al model system. The deposition of Ni3Al on a pure Ni layer at 500°C generated L12-structured γ' (Ni3Al) precipitates, preferentially at the interface. After annealing at 800°C for 1 h, interdiffusion between Ni and Ni3Al layers occurred, and the γ' precipitates that grew near the parent Ni/Ni 3Al interface are ~2.8 times larger in size than those formed in the matrix. In conclusion, Monte Carlo simulations indicate that vacancies preferentially diffuse along the Ni/Ni 3Al interface, increasingmore » the probability of precipitation.« less

Extraction of benzene and cyclohexane using [BMIM][N(CN)2] and their equilibrium modeling

NASA Astrophysics Data System (ADS)

Ismail, Marhaina; Bustam, M. Azmi; Man, Zakaria

2017-12-01

The separation of aromatic compound from aliphatic mixture is one of the essential industrial processes for an economically green process. In order to determine the separation efficiency of ionic liquid (IL) as a solvent in the separation, the ternary diagram of liquid-liquid extraction (LLE) 1-butyl-3-methylimidazolium dicyanamide [BMIM][N(CN)2] with benzene and cyclohexane was studied at T=298.15 K and atmospheric pressure. The solute distribution coefficient and solvent selectivity derived from the equilibrium data were used to evaluate if the selected ionic liquid can be considered as potential solvent for the separation of benzene from cyclohexane. The experimental tie line data was correlated using non-random two liquid model (NRTL) and Margules model. It was found that the solute distribution coefficient is (0.4430-0.0776) and selectivity of [BMIM][N(CN)2] for benzene is (53.6-13.9). The ternary diagram showed that the selected IL can perform the separation of benzene and cyclohexane as it has extractive capacity and selectivity. Therefore, [BMIM][N(CN)2] can be considered as a potential extracting solvent for the LLE of benzene and cyclohexane.

Planetary Ices and the Linear Mixing Approximation

DOE PAGES

Bethkenhagen, M.; Meyer, Edmund Richard; Hamel, S.; ...

2017-10-10

Here, the validity of the widely used linear mixing approximation (LMA) for the equations of state (EOSs) of planetary ices is investigated at pressure–temperature conditions typical for the interiors of Uranus and Neptune. The basis of this study is ab initio data ranging up to 1000 GPa and 20,000 K, calculated via density functional theory molecular dynamics simulations. In particular, we determine a new EOS for methane and EOS data for the 1:1 binary mixtures of methane, ammonia, and water, as well as their 2:1:4 ternary mixture. Additionally, the self-diffusion coefficients in the ternary mixture are calculated along three different Uranus interior profiles and compared to the values of the pure compounds. We find that deviations of the LMA from the results of the real mixture are generally small; for the thermal EOSs they amount to 4% or less. The diffusion coefficients in the mixture agree with those of the pure compounds within 20% or better. Finally, a new adiabatic model of Uranus with an inner layer of almost pure ices is developed. The model is consistent with the gravity field data and results in a rather cold interior (more » $${T}_{\\mathrm{core}}\\sim 4000$$ K).« less

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

Bethkenhagen, M.; Meyer, Edmund Richard; Hamel, S.

Here, the validity of the widely used linear mixing approximation (LMA) for the equations of state (EOSs) of planetary ices is investigated at pressure–temperature conditions typical for the interiors of Uranus and Neptune. The basis of this study is ab initio data ranging up to 1000 GPa and 20,000 K, calculated via density functional theory molecular dynamics simulations. In particular, we determine a new EOS for methane and EOS data for the 1:1 binary mixtures of methane, ammonia, and water, as well as their 2:1:4 ternary mixture. Additionally, the self-diffusion coefficients in the ternary mixture are calculated along three different Uranus interior profiles and compared to the values of the pure compounds. We find that deviations of the LMA from the results of the real mixture are generally small; for the thermal EOSs they amount to 4% or less. The diffusion coefficients in the mixture agree with those of the pure compounds within 20% or better. Finally, a new adiabatic model of Uranus with an inner layer of almost pure ices is developed. The model is consistent with the gravity field data and results in a rather cold interior (more » $${T}_{\\mathrm{core}}\\sim 4000$$ K).« less

The Controversial Role of Inter-diffusion in Glass Alteration

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

Gin, Stephane; Neill, Lindsay; Fournier, M.

2016-11-15

Current kinetic models for nuclear waste glasses (e.g. GM2001, GRAAL) are based on a set of mechanisms that have been generally agreed upon within the international waste glass community. These mechanisms are: hydration of the glass, ion exchange reactions (the two processes are referred as inter-diffusion), hydrolysis of the silicate network, and condensation/precipitation of partly or completely hydrolyzed species that produces a porous and amorphous layer and crystalline phases on surface of the altered glass. Recently, a new idea with origins in the mineral dissolution community has been proposed that excludes inter-diffusion process as a potential rate-limiting mechanism. To understandmore » how the so-called interfacial dissolution/precipitation model can change the current understanding of glass behavior, a key experiment used to account for this model was replicated to further revisit the interpretation. This experiment was performed at 50°C, with SON68 glass, in static mode, deionized water and S/V ratio of 10 m-1 for 6 months. It turn out that glass alters in an intermediate kinetic regime between the forward and the residual rate. According to previous and new solid characterizations, it is concluded that neither a simple inter-diffusion model nor the interfacial dissolution precipitation model can account for the observed elemental profiles within the alteration layer. More generally, far and close-to-saturation conditions must be distinguished and literature provides evidences that inter-diffusion takes place in slightly acidic conditions and far from saturation. However, closer to saturation, when a sufficiently dense layer is formed, a new approach is proposed requiring a full description of chemical reactions taking place within the alteration layer and involving water molecules as it is thought that water accessibility to the pristine glass is the rate-limiting process.« less

Equiaxed and columnar dendrite growth simulation in Al-7Si- Mg ternary alloys using cellular automaton method

NASA Astrophysics Data System (ADS)

Chen, Rui; Xu, Qingyan; Liu, Baicheng

2015-06-01

In this paper, a modified cellular automaton (MCA) model allowing for the prediction of dendrite growth of Al-Si-Mg ternary alloys in two and three dimensions is presented. The growth kinetic of S/L interface is calculated based on the solute equilibrium approach. In order to describe the dendrite growth with arbitrarily crystallographic orientations, this model introduces a modified decentered octahedron algorithm for neighborhood tracking to eliminate the effect of mesh dependency on dendrite growth. The thermody namic and kinetic data needed for dendrite growth is obtained through coupling with Pandat software package in combination with thermodynamic/kinetic/equilibrium phase diagram calculation databases. The effect of interactions between various alloying elements on solute diffusion coefficient is considered in the model. This model has first been used to simulate Al-7Si (weight percent) binary dendrite growth followed by a validation using theoretical predictions. For ternary alloy, Al-7Si-0.5Mg dendrite simulation has been carried out and the effects of solute interactions on diffusion matrix as well as the differences of Si and Mg in solute distribution have been analyzed. For actual application, this model has been applied to simulate the equiaxed dendrite growth with various crystallographic orientations of Al-7Si-0.36Mg ternary alloy, and the predicted secondary dendrite arm spacing (SDAS) shows a reasonable agreement with the experimental ones. Furthermore, the columnar dendrite growth in directional solidification has also been simulated and the predicted primary dendrite arm spacing (PDAS) is in good agreement with experiments. The simulated results effectively demonstrate the abilities of the model in prediction of dendritic microstructure of Al-Si-Mg ternary alloy.

Magnetotransport and interdiffusion characteristics of magnetic tunnel junctions comprising nano-oxide layers upon exposure to postdeposition annealing

NASA Astrophysics Data System (ADS)

Chu, In Chang; Song, Min Sung; Chun, Byong Sun; Lee, Seong Rae; Kim, Young Keun

2005-08-01

Magnetic tunnel junction (MTJ) structures based on underlayer (CoNbZr)/bufferlayer (CoFe)/antiferromagnet (IrMn)/pinned layer (CoFe)/tunnel barrier (AlO x)/free layer (CoFe)/capping (CoNbZr) have been prepared to investigate thermal degradation of magnetoresistive responses. Some junctions possess a nano-oxide layer (NOL) inside either in the underlayer or bufferlayer. The main purpose of the NOL inclusion was to control interdiffusion path of Mn from the antiferromagnet so that improved thermal stability could be achieved. The MTJs with NOLs were found to have reduced interfacial roughness, resulting in improved tunneling magnetoresistance (TMR) and reduced interlayer coupling field. We also confirmed that the NOL effectively suppressed the Mn interdiffusion toward the tunnel barrier by dragging Mn atoms toward NOL during annealing.

The Fe2(+)-Mg interdiffusion in orthopyroxene: Constraints from cation ordering and structural data and implications for cooling rates of meteorites

NASA Technical Reports Server (NTRS)

Ganguly, J.; Tazzoli, V.

1993-01-01

Orthopyroxene crystals in a number of meteorites exhibit compositional zoning of Fe and Mg, which provide important constraint on their cooling rates. However, attempts to model cooling rate of these crystals from Fe-Mg zoning profiles suffer from the lack of any measured or theoretically well constrained Fe-Mg interdiffusion data in OP(x) It has been assumed that Fe-Mg interdiffusion in OP(x) only slightly slower than that in olivine. The purpose of this paper is to (1) calculate the Fe-Mg fractionation, and (2) provide analytical formulation relating cooling rate to the length of the diffusion zone across the interface of the overgrowth of a mineral on itself with application to Mg diffusion profile across OP(x) growth on OP(x) in certain mesosiderites.

Influence of Si interdiffusion on carbon-induced growth of Ge quantum dots: a strategy for tuning island density.

PubMed

Bernardi, A; Ossó, J O; Alonso, M I; Goñi, A R; Garriga, M

2006-05-28

We have studied the epitaxial growth of self-assembled Ge quantum dots when a submonolayer of carbon is deposited on a Ge wetting layer (WL) prior to the growth of the dots. Using atomic-force microscopy combined with optical techniques like Raman and ellipsometry, we performed a systematic study of the role played by thermally activated Si interdiffusion on dot density, composition and morphology, by changing only the growth temperature T(WL) of the WL. Strikingly, we observe that higher dot densities and a narrower size distribution are achieved by increasing the deposition temperature T(WL), i.e. by enhancing Si interdiffusion from the substrate. We suggest a two-stage growth procedure for fine tuning of dot topography (density, shape and size) useful for possible optoelectronic applications.

Corrosion resistant coatings suitable for elevated temperature application

DOEpatents

Chan, Kwai S [San Antonio, TX; Cheruvu, Narayana Sastry [San Antonio, TX; Liang, Wuwei [Austin, TX

2012-07-31

The present invention relates to corrosion resistance coatings suitable for elevated temperature applications, which employ compositions of iron (Fe), chromium (Cr), nickel (Ni) and/or aluminum (Al). The compositions may be configured to regulate the diffusion of metals between a coating and a substrate, which may then influence coating performance, via the formation of an inter-diffusion barrier layer. The inter-diffusion barrier layer may comprise a face-centered cubic phase.

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

Gebhardt, M.; Köhler, W., E-mail: werner.koehler@uni-bayreuth.de

A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid mixtures, both on ground and on-board the International Space Station. All these methods are based on the simultaneous measurement of refractive index changes at two different wavelengths. Here, we discuss and compare different techniques with the emphasis on optical beam deflection (OBD), optical digital interferometry, and thermal diffusion forced Rayleigh scattering (TDFRS). We suggest to formally split the data evaluation into a phenomenological parameterization of the measured transients and a subsequent transformation from the refractive index into themore » concentration space. In all experiments, the transients measured at two different detection wavelengths can be described by four amplitudes and two eigenvalues of the diffusion coefficient matrix. It turns out that these six parameters are subjected to large errors and cannot be determined reliably. Five good quantities, which can be determined with a high accuracy, are the stationary amplitudes, the initial slopes as defined in TDFRS experiments and by application of a heuristic criterion for similar curves, a certain mean diffusion coefficient. These amplitudes and slopes are directly linked to the Soret and thermodiffusion coefficients after transformation with the inverse contrast factor matrix, which is frequently ill-conditioned. Since only five out of six free parameters are reliably determined, including the single mean diffusion coefficient, the determination of the four entries of the diffusion matrix is not possible. We apply our results to new OBD measurements of the symmetric (mass fractions 0.33/0.33/0.33) ternary benchmark mixture n-dodecane/isobutylbenzene/1,2,3,4-tetrahydronaphthalene and existing literature data for the same system.« less

Isopiestic Determination of the Osmotic Coefficients of NaNO3 + Eu(NO3)3 + H2O at 298.15 K and Representation with an Extended Ion-Interaction (Pitzer) Model

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

Peter R. Zalupski; Rocklan McDowell; Simon L. Clegg

Isopiestic vapor pressures were measured at 298.15 K for aqueous NaNO3 + Eu(NO3)3 solutions, using NaCl(aq) as the reference standard. Measurements were made for both binary (single salt) solutions and for ternary solutions of the following NaNO3 ionic strength fractions: 0.05995, 0.08749, 0.16084, 0.27709, and 0.36313 over the water activity range 0.8951 = aw = 0.9832. (These ionic strength fractions correspond to NaNO3 molality fractions 0.27675, 0.36519, 0.53489, 0.69695, and 0.77381, respectively.) The results, and those of other studies for the two pure aqueous solutions, were used to determine the Pitzer model parameters for aqueous Eu(NO3)3 for molalities up tomore » 3 mol kg–1 and the two ternary (mixture) parameters ?Eu,Na = 0.367 ± 0.0035 and ?Eu,Na,NO3 = -0.0743 ± 0.0014. Some deviations of the measurements from the fitted model, of the order of +0.0075 in the osmotic coefficient, were noted for mixtures containing less than about 1 mol kg–1 total NO3–. The use of the mixture parameters in the Pitzer model yields predicted trace activity coefficients of Eu3+ in 1 mol kg–1 aqueous NaNO3 almost a factor of 2 greater than if they are omitted.« less

Mixing effects in a ternary Hf-Zr-Ni metallic melt

NASA Astrophysics Data System (ADS)

Nowak, B.; Holland-Moritz, D.; Yang, F.; Evenson, Z.; Meyer, A.

2018-03-01

We study the effect of the substitution of Zr by Hf on the dynamical behavior in the Zr36Ni64 melt. A reduced measured self-diffusion coefficient and a higher measured melt viscosity for an increased amount of Hf were observed. The ternary Hf10Zr25Ni65 melt, which exhibits a pronounced deviation from Arrhenius behavior over a studied temperature range of 550 K, can be accurately described by the scaling law of mode-coupling theory (MCT) with almost equal parameters for the self-diffusion and the viscosity. Although we only substitute alloy components with a nearly equal atomic size and the measured overall packing fraction remains almost unchanged, the dynamics in Hf10Zr25Ni65 are slower compared to Zr36Ni64 . This corresponds also to a higher critical temperature Tc and might be induced by different chemical interactions in the melts. The increased Tc results in a significantly smaller difference between liquidus and critical temperature Δ TLC=TL-Tc for the ternary melt in comparison with Zr36Ni64 , which may favor the glass formation in the Hf10Zr25Ni65 melt.

Surface morphology and interdiffusion of LiF in Alq3-based organic light-emitting devices.

PubMed

Lee, Young Joo; Li, Xiaolong; Kang, Da-Yeon; Park, Seong-Sik; Kim, Jinwoo; Choi, Jeong-Woo; Kim, Hyunjung

2008-09-01

Highly efficient organic light-emitting devices (OLEDs) have been realized by insertion of a thin insulating lithium fluoride (LiF) layer between aluminum (Al) cathode and an electron transport layer, tris-(8-hydroxyquinoline) aluminum (Alq(3)). In this paper, we study the surface morphology of LiF on Alq(3) by synchrotron X-ray scattering and atomic force microscopy (AFM) as a function of thickness of LiF. We also study the interdiffusion of LiF into Al cathode as well as into Alq(3) layer as a function of temperature. Initially, LiF molecules are distributed randomly as clusters on the Alq(3) layer and then gradually form a layer as increasing LiF thickness. The interdiffusion of LiF into Al occurs more actively than into Alq(3) in annealing process. LiF on Alq(3) induces the ordering of Al to (111) direction strongly with increasing LiF thickness.

Interdiffusion behavior between NiAlHf coating and Ni-based single crystal superalloy with different crystal orientations

NASA Astrophysics Data System (ADS)

Wang, Ruili; Gong, Xueyuan; Peng, Hui; Ma, Yue; Guo, Hongbo

2015-01-01

NiAlHf coatings were deposited onto Ni-based single crystal (SC) superalloy with different crystal orientations by electron beam physical vapor deposition (EB-PVD). The effects of the crystal orientations of the superalloy substrate on inter-diffusion behavior between the substrate and the NiAlHf coating were investigated. Substrate diffusion zone (SDZ) containing needle-like μ phases and interdiffusion zone (IDZ) mainly consisting of the ellipsoidal and rod-like μ phases were formed in the SC alloy after heat-treatment 10 h at 1100 °C. The thickness of secondary reaction zone (SRZ) formed in the SC alloy with (0 1 1) crystal orientation is about 14 μm after 50 h heat-treatment at 1100 °C, which is relatively thicker than that in the SC alloy with (0 0 1) crystal orientation, whereas the IDZ revealed similar thickness.

Study of molybdenum-aluminum interdiffusion kinetics and contact resistance for VLSI applications

NASA Astrophysics Data System (ADS)

Singh, R. N.; Brown, D. M.; Kim, M. J.; Smith, G. A.

1985-12-01

Interdiffusion barrier characteristics of molybdenum thin film with aluminum-1% Si is studied between 733 and 763 K via sheet and contact resistance measurements, Rutherford backscattering spectrometry, secondary ion mass spectrometry, and x-ray diffraction analysis. The results indicate that thermal annealing of Mo/Al-1% Si thin film couples leads to MoAl12 compound formation initially as a nonplanar front, but extensive annealing results in complete transformation of Al-1% Si to MoAl12 and a significant increase in contact resistance. The interdiffusion kinetics is diffusion controlled and shows parabolic time dependence, incubation periods, and extremely high activation energy value of 5.9 eV. The incubation periods and an high activation energy values are explained by the presence of silicon precipitates at the Mo/Al-1% Si interface. Implications of these observations to VLSI device characteristics are discussed and a safe time-temperature processing regime is proposed.

Interdiffusion behavior of tungsten or rhenium and group 5 and 6 elements and alloys of the periodic table. Part 2A: Appendices A-G

NASA Technical Reports Server (NTRS)

Arcella, F. G.

1974-01-01

Arc cast W, CVD, W, CVD Re, and powder metallurgy Re materials were hot isostatically pressure welded to ten different refractory metals and alloys and thermally aged at 10 to the minus 8th power torr at 1200 C, 1500 C, 1630 C, 1800 C, and 2000 C for 100 hours to 2000 hours. Electron beam microprobe analysis was used to characterize the interdiffusion zone width of each couple system as a function of age time and temperature. Each system was least squares fitted to the equation: In (delta X sq/t) = B/T + A, where delta X is net interdiffusion zone width, t is age time, and T is age temperature. Detailed descriptions of experimental and analytical procedures utilized in conducting the experimental program are provided. For Vol. 1, see N74-34046.

Effect of interfacial disorder on exchange anisotropy in nickel manganese/nickel epitaxial bilayers

NASA Astrophysics Data System (ADS)

Lund, Michael Shane

In this thesis, the influence of interdiffusion on the structural and magnetic properties of epitaxial Ni1-xMnx/Ni bilayers has been examined. Structural characterization shows (111) oriented epitaxial layers with a 35A interdiffused layer at the Ni47Mn 53/Ni interface. This interdiffused layer is a result of the annealing step (250 C anneal for 16 hours) that is typically needed to transform NiMn into the required antiferromagnetic (AF) phase. A comparison of polarized neutron reflectometry measurements at 300 K and at 10 K show two major features as the temperature is decreased; (i) The ferromagnetic (F) moment of the sample appears to decrease with decreasing temperature, and (ii) The F layer is effectively thinner at low temperatures, i.e. the magnetic interface between the F and underlying non-F layer has a temperature dependent location. These unexpected results are confirmed by measurements of the temperature dependence of the magnetization after cooling in a demagnetized state, then applying an external field while measuring the magnetization. The magnetization decreases with decreasing temperature, consistent with a decrease in the effective F layer thickness. The effective "motion" of the magnetic interface is explained by the increasing dominance of the AF exchange interactions in the interdiffused region as the temperature is lowered. This model is further supported by the existence of memory effects and glassy behavior, which are both consistent with competing AF and F interactions in the interdiffused region. Furthermore, this interdiffusion at the AF/F interface provides a unique opportunity to assess, in a single sample, the effect of uniaxial vs. biaxial anisotropy on phenomena such as training and reversal asymmetry. As predicted by recent theory it is shown that the existence of a strong training effect, and an accompanying reversal asymmetry, can be directly correlated with the presence of biaxial exchange induced anisotropy. Finally, the dependence of exchange bias on x in Ni1-xMnx/Ni bilayers has been studied. It is found that bilayers with x ˜ 0.58 have a maximum exchange coupling and that the maximum exchange bias is achieved with just a 2 hour anneal at 250 C. This is striking and suggests that the as-deposited Ni 1-xMnx is in the AF phase. Additionally, inverted unannealed bilayers exhibit exchange bias, providing clear evidence for spontaneous magnetic ordering of Ni1-xMnx layer. This is an important find since annealing results in interdiffusion at the AF/F interface, and a subsequent reduction in the exchange bias field, it would be technologically desirable to omit this step entirely.

The determination of extinction coefficient of CuInS2, and ZnCuInS3 multinary nanocrystals.

PubMed

Qin, Lei; Li, Dongze; Zhang, Zhuolei; Wang, Kefei; Ding, Hong; Xie, Renguo; Yang, Wensheng

2012-10-21

A pioneering work for determining the extinction coefficient of colloidal semiconductor nanocrystals (NCs) has been cited over 1500 times (W. Yu, W. Guo, X. G. Peng, Chem. Mater., 2003, 15, 2854-2860), indicating the importance of calculating NC concentration for further research and applications. In this study, the size-dependent nature of the molar extinction coefficient of "greener" CuInS(2) and ZnCuInS(3) NCs with emission covering the whole visible to near infrared (NIR) is presented. With the increase of NC size, the resulting quantitative values of the extinction coefficients of ternary CuInS(2) and quaternary ZnCuInS(3) NCs are found to follow a power function with exponents of 2.1 and 2.5, respectively. Obviously, a larger value of extinction coefficient is observed in quaternary NCs for the same size of particles. The difference of the extinction coefficient from both samples is clearly demonstrated due to incorporating ZnS with a much larger extinction coefficient into CuInS(2) NCs.

Ge auto-doping and out-diffusion in InGaP grown on Ge substrate and their effects on the ordering of InGaP

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

Wu, Hong-Ming; Ho, Hao-I; Tsai, Shi-Jane

2016-03-21

We report on the Ge auto-doping and out-diffusion in InGaP epilayer with Cu-Pt ordering grown on 4-in. Ge substrate. Ge profiles determined from secondary ion mass spectrometry indicate that the Ge out-diffusion depth is within 100 nm. However, the edge of the wafer suffers from stronger Ge gas-phase auto-doping than the center, leading to ordering deterioration in the InGaP epilayer. In the edge, we observed a residual Cu-Pt ordering layer left beneath the surface, suggesting that the ordering deterioration takes place after the deposition rather than during the deposition and In/Ga inter-diffusion enhanced by Ge vapor-phase auto-doping is responsible for themore » deterioration. We thus propose a di-vacancy diffusion model, in which the amphoteric Ge increases the di-vacancy density, resulting in a Ge density dependent diffusion. In the model, the In/Ga inter-diffusion and Ge out-diffusion are realized by the random hopping of In/Ga host atoms and Ge atoms to di-vacancies, respectively. Simulation based on this model well fits the Ge out-diffusion profiles, suggesting its validity. By comparing the Ge diffusion coefficient obtained from the fitting and the characteristic time constant of ordering deterioration estimated from the residual ordering layer, we found that the hopping rates of Ge and the host atoms are in the same order of magnitude, indicating that di-vacancies are bound in the vicinity of Ge atoms.« less

Cr diffusion in MgAl2O4 synthetic spinels: preliminary results

NASA Astrophysics Data System (ADS)

Freda, C.; Celata, B.; Andreozzi, G.; Perinelli, C.; Misiti, V.

2012-04-01

Chromian spinel is an accessory phase common in crustal and mantle rocks, including peridotites, gabbros and basalts. Spinel, it has been identified as one of the most effective, sensible, and versatile petrogenetic indicator in mafic and ultramafic rock systems due to the strict interdependence between its physico-chemical properties (chemical composition, cation configuration etc.) and genetic conditions (temperature, pressure, and chemical characteristics of the system). In particular, studies on intra- and inter-crystalline Mg-Fe2+, Cr-Al exchange demonstrated the close relationship between spinel composition and both degree of partial melting and equilibrium temperature of spinel-peridotites. Moreover, studies focused on the chemical zoning of Mg-Fe2+ and/or Cr-Al components in spinel have been used, combined with a diffusion model, to provide quantitative information on peridotites and gabbros pressure-temperature paths and on deformation mechanisms. Although these potentials, most of the experimental studies have been performed on spinels hosting a limited content of divalent iron (sensu stricto, MgAl2O4), whereas the scarce studies on Cr-Al inter-diffusion coefficient have been performed at 3-7 GPa as pressure boundary condition. In order to contribute to the understanding of processes occurring in the lithospheric mantle, we have initiated an experimental research project aiming at determining the Cr-Al inter-diffusion in spinel at 2 GPa pressure and temperature ranging from 1100 to 1250 °C. The experiments were performed in a end-loaded piston cylinder by using a 19 mm assembly and graphite-Pt double capsules. As starting materials we used synthetic Mg-Al spinel (200-300 μm in size) and Cr2O3 powder. Microanalyses of experimental charge were performed on polished carbon-coated mounts by electronic microprobe. Line elemental analyses were made perpendicular to the contact surface between Cr2O3 powder and spinel, at interval of 2 μm. By processing these preliminary data, we have estimated a diffusion coefficient of chromium (D) of 7.6·10-15 m2s-1.

Interdiffusion behavior of U3Si2 with FeCrAl via diffusion couple studies

NASA Astrophysics Data System (ADS)

Hoggan, Rita E.; He, Lingfeng; Harp, Jason M.

2018-04-01

Uranium silicide (U3Si2) is a candidate to replace uranium oxide (UO2) as light water reactor (LWR) fuel because of its higher thermal conductivity and higher fissile density relative to the current standard, UO2. A class of Fe, Cr, Al alloys collectively known as FeCrAl alloys that have superior mechanical and oxidation resistance are being considered as an alternative to the standard Zirconium based LWR cladding. The interdiffusion behavior between FeCrAl and U3Si2 is investigated in this study. Commercially available FeCrAl, along with U3Si2 pellets were placed in diffusion couples. Individual tests were ran at temperatures ranging from 500 °C to 1000 °C for 30 h and 100 h. The interdiffusion was analyzed with an optical microscope, scanning electron microscope, and transmission electron microscope. Uniform and planar interdiffusion layers along the material interface were illustrated with backscatter electron micrographs and energy-dispersive X-ray spectroscopy. Electron diffraction was used to validate phases present in the system, including distinct U2Fe3Si/UFe2 and UFeSi layers at the material interface. U and Fe diffused far into the FeCrAl and U3Si2 matrix, respectively, in the higher temperature tests. No interaction was observed at 500 °C for 30 h.

Grain boundary diffusion in olivine (Invited)

NASA Astrophysics Data System (ADS)

Marquardt, K.; Dohmen, R.

2013-12-01

Olivine is the main constituent of Earth's upper mantle. The individual mineral grains are separated by grain boundaries that have very distinct properties compared to those of single crystals and strongly affect large-scale physical and chemical properties of rocks, e.g. viscosity, electrical conductivity and diffusivity. Knowledge on the grain boundary physical and chemical properties, their population and distribution in polycrystalline materials [1] is a prerequisite to understand and model bulk (rock) properties, including their role as pathways for element transport [2] and the potential of grain boundaries as storage sites for incompatible elements [3]. Studies on selected and well characterized single grain boundaries are needed for a detailed understanding of the influence of varying grain boundaries. For instance, the dependence of diffusion on the grain boundary structure (defined by the lattice misfit) and width in silicates is unknown [2, 4], but limited experimental studies in material sciences indicate major effects of grain boundary orientation on diffusion rates. We characterized the effect of grain boundary orientation and temperature on element diffusion in forsterite grain boundaries by transmission electron microscopy (TEM).The site specific TEM-foils were cut using the focused ion beam technique (FIB). To study diffusion we prepared amorphous thin-films of Ni2SiO4 composition perpendicular to the grain boundary using pulsed laser deposition. Annealing (800-1450°C) leads to crystallization of the thin-film and Ni-Mg inter-diffuse into the crystal volume and along the grain boundary. The inter-diffusion profiles were measured using energy dispersive x-ray spectrometry in the TEM, standardized using the Cliff-Lorimer equation and EMPA measurements. We obtain volume diffusion coefficients that are comparable to Ni-Mg inter-diffusion rates in forsterite determined in previous studies at comparable temperatures, with similar activation energies. Grain boundary diffusion perpendicular to the dislocation lines of the small angle grain boundaries proved to be about an order of magnitude faster than volume diffusion, whereas diffusion in high angle grain boundaries is several orders of magnitude faster. We will discuss the variation of element diffusion rates with grain boundary orientation and the temperature- and/or time-induced transition from one diffusion regime to the next regime. This is done using time series experiments and two-dimensional grain boundary diffusion simulations. Finally, we will debate the differences between our data and other data sets that result from different experimental setups, conditions and analyses.

Methods for forming thin-film heterojunction solar cells from I-III-VI.sub. 2

DOEpatents

Mickelsen, Reid A.; Chen, Wen S.

1982-01-01

An improved thin-film, large area solar cell, and methods for forming the same, having a relatively high light-to-electrical energy conversion efficiency and characterized in that the cell comprises a p-n type heterojunction formed of: (i) a first semiconductor layer comprising a photovoltaic active material selected from the class of I-III-VI.sub.2 chalcopyrite ternary materials which is vacuum deposited in a thin "composition-graded" layer ranging from on the order of about 2.5 microns to about 5.0 microns (.congruent.2.5.mu.m to .congruent.5.0.mu.m) and wherein the lower region of the photovoltaic active material preferably comprises a low resistivity region of p-type semiconductor material having a superimposed region of relatively high resistivity, transient n-type semiconductor material defining a transient p-n homojunction; and (ii), a second semiconductor layer comprising a low resistivity n-type semiconductor material; wherein interdiffusion (a) between the elemental constituents of the two discrete juxtaposed regions of the first semiconductor layer defining a transient p-n homojunction layer, and (b) between the transient n-type material in the first semiconductor layer and the second n-type semiconductor layer, causes the transient n-type material in The Government has rights in this invention pursuant to Contract No. EG-77-C-01-4042, Subcontract No. XJ-9-8021-1 awarded by the U.S. Department of Energy.

Methods for forming thin-film heterojunction solar cells from I-III-VI.sub. 2

DOEpatents

Mickelsen, Reid A [Bellevue, WA; Chen, Wen S [Seattle, WA

1985-08-13

An improved thin-film, large area solar cell, and methods for forming the same, having a relatively high light-to-electrical energy conversion efficiency and characterized in that the cell comprises a p-n type heterojunction formed of: (i) a first semiconductor layer comprising a photovoltaic active material selected from the class of I-III-VI.sub.2 chalcopyrite ternary materials which is vacuum deposited in a thin "composition-graded" layer ranging from on the order ot about 2.5 microns to about 5.0 microns (.congruent.2.5 .mu.m to .congruent.5.0 .mu.m) and wherein the lower region of the photovoltaic active material preferably comprises a low resistivity region of p-type semiconductor material having a superimposed region of relatively high resistivity, transient n-type semiconductor material defining a transient p-n homojunction; and (ii), a second semiconductor layer comprising a low resistivity n-type semiconductor material; wherein interdiffusion (a) between the elemental constituents of the two discrete juxtaposed regions of the first semiconductor layer defining a transient p-n homojunction layer, and (b) between the transient n-type material in the first semiconductor layer and the second n-type semiconductor layer, causes the The Government has rights in this invention pursuant to Contract No. EG-77-C-01-4042, Subcontract No. XJ-9-8021-1 awarded by the U.S. Department of Energy.

Extraction of manganese by alkyl monocarboxylic acid in a mixed extractant from a leaching solution of spent lithium-ion battery ternary cathodic material

NASA Astrophysics Data System (ADS)

Joo, Sung-Ho; Shin, Dongju; Oh, ChangHyun; Wang, Jei-Pil; Shin, Shun Myung

2016-02-01

We investigate the separation of manganese by an antagonistic effect from a leaching solution of ternary cathodic material of spent lithium-ion batteries that contain 11,400 mg L-1 Co, 11,700 mg L-1 Mn, 12,200 mg L-1 Ni, and 5300 mg L-1 Li using a mixture of alkyl monocarboxylic acid and di-(2-ethylhexyl)phosphoric acid extractants. pH isotherm, distribution coefficient, separation factor, McCabe-Thiele diagram, selective scrubbing, and countercurrent extraction tests are carried out to prove an antagonistic effect and to recover manganese using alkyl monocarboxylic in the mixed extractant. Slope analysis is used to determine the extraction mechanism between a mixture of extractants and valuable metals. An increasing concentration of alkyl monocarboxylic acid in the mixture of extractants results in a decrease in distribution coefficient of cobalt and manganese, however, the separation factor value (β(Mn/Co)) increases at pH 4.5. This is caused by slope analysis where alkyl monocarboxylic acid disrupts the extraction mechanism between di-(2-ethylhexyl)phosphoric acid and cobalt. Finally, continuous countercurrent extraction in a mini-plant test demonstrate the feasibility of manganese recovery from cobalt, nickel, and lithium.

Ternary isocratic mobile phase optimization utilizing resolution Design Space based on retention time and peak width modeling.

PubMed

Kawabe, Takefumi; Tomitsuka, Toshiaki; Kajiro, Toshi; Kishi, Naoyuki; Toyo'oka, Toshimasa

2013-01-18

An optimization procedure of ternary isocratic mobile phase composition in the HPLC method using a statistical prediction model and visualization technique is described. In this report, two prediction models were first evaluated to obtain reliable prediction results. The retention time prediction model was constructed by modification from past respectable knowledge of retention modeling against ternary solvent strength changes. An excellent correlation between observed and predicted retention time was given in various kinds of pharmaceutical compounds by the multiple regression modeling of solvent strength parameters. The peak width of half height prediction model employed polynomial fitting of the retention time, because a linear relationship between the peak width of half height and the retention time was not obtained even after taking into account the contribution of the extra-column effect based on a moment method. Accurate prediction results were able to be obtained by such model, showing mostly over 0.99 value of correlation coefficient between observed and predicted peak width of half height. Then, a procedure to visualize a resolution Design Space was tried as the secondary challenge. An artificial neural network method was performed to link directly between ternary solvent strength parameters and predicted resolution, which were determined by accurate prediction results of retention time and a peak width of half height, and to visualize appropriate ternary mobile phase compositions as a range of resolution over 1.5 on the contour profile. By using mixtures of similar pharmaceutical compounds in case studies, we verified a possibility of prediction to find the optimal range of condition. Observed chromatographic results on the optimal condition mostly matched with the prediction and the average of difference between observed and predicted resolution were approximately 0.3. This means that enough accuracy for prediction could be achieved by the proposed procedure. Consequently, the procedure to search the optimal range of ternary solvent strength achieving an appropriate separation is provided by using the resolution Design Space based on accurate prediction. Copyright © 2012 Elsevier B.V. All rights reserved.

Quantum well intermixing of indium gallium arsenide(phosphorus)/indium phosphorus heterostructures

NASA Astrophysics Data System (ADS)

Haysom, Joan E.

This thesis studies several aspects of the interdiffusion of InGaAs(P)/InP quantum well (QW) heterostructures, from the fundamental defect mechanisms, through optimization of processing parameters, to novel device applications. Conclusions from each of these areas have been drawn which further the scientific understanding and the manufacturability of the technique. The thermal stability of a series of different wafers is studied to highlight how poor quality of growth can cause increased interdiffusion, and to review the requirements for achieving repeatable annealing. Purposeful and controlled interdiffusion is accomplished through the introduction of excess defects into layers above the QWs, which during a subsequent anneal, diffuse through the QWs and enhance interdiffusion of atoms of the QWs with atoms of the barriers. These excess defects are introduced using two different techniques, via growth at low temperatures (LT) using chemical beam epitaxy (CBE), and via implantation of phosphorus ions. The CBE LT growth technique is new, and reported for the first time in this thesis. Characterization of the as-grown layers leads us to believe that they have an excess of phosphorus. The diffusion rate of the mobile defects which cause the intermixing is also measured, and the interdiffusion is shown to occur predominantly on the group-V sublattice. Due to many similarities between this and the results of the implantation technique, it is proposed that these mobile defects are the same for both intermixing approaches, and that the behaviour can be explained by a phosphorus interstitial mechanism. Annealing recipes for the implantation-induced technique are optimized, and the sample-to-sample reproducibility of the blueshift for this method was found to be quite good (standard deviations of ˜6 meV on blueshifts of ˜70 meV). The lateral selectivity and refractive index changes are characterized, and used in combination to create novel buried waveguide devices.

Control of interface reactions in SIC/TI composites

NASA Technical Reports Server (NTRS)

Houska, C. R.; Rao, V.

1982-01-01

The reaction between a 0.5 to 1.0 Al film and a thick Ti substrate to form TiAl3 occurs very rapidly on heating to 635 C and causes the Al to be confined to the surface region. After heating to 900 C Ti3Al is formed with little release of Al into alpha Ti. Further annealing at 900 C eventually causes the Ti3Al phase to decompose and a substantial amount of Al is released into alpha Ti. The interdiffusion coefficient for Al in alpha Ti at 900 C increases by less than one order of magnitude as Al is varied from 0 to 20 at %. These data were obtained from the (101) X-ray diffraction intensity band using polycrystalline samples. Improvements in the analysis of X-ray diffraction data for the determination of composition profiles are discussed.

Interdiffusion in the Ni/TD-NiCr and Cr/TD-NiCr systems

NASA Technical Reports Server (NTRS)

Pawar, A. V.; Tenney, D. R.

1974-01-01

The diffusion of Ni and Cr into TD-NiCr has been studied over the 900 to 1100 C temperature range. The diffusion couples were prepared by electroplating Cr and Ni on polished TD-NiCr wafers. Concentration profiles produced as a result of isothermal diffusion at 905, 1000, and 1100 C were determined by electron microprobe analysis. The Boltzmann-Matano analysis was used to determine concentration-dependent diffusion coefficients which were found to compare favorably with previously reported values. These data suggest that 2 vol % ThO2 distribution has no appreciable effect on the rates of diffusion in TD-NiCr with a large grain size. This supports the view that an inert dispersoid in an alloy matrix will not in itself lead to enhanced diffusion unless a short-circuit diffusion structure is stabilized.

Cobalt Modification of Thin Rutile Films Magnetron-Sputtered in Vacuum

NASA Astrophysics Data System (ADS)

Afonin, N. N.; Logacheva, V. A.

2018-04-01

Using X-ray phase analysis, atomic force microscopy, and secondary ion mass-spectrometry, the phase formation and component distribution in a Co-TiO2 film system have been investigated during magnetron sputtering of the metal on the oxide and subsequent vacuum annealing. It has been found that cobalt diffuses deep into titanium oxide to form complex oxides CoTi2O5 and CoTiO3. A mechanism behind their formation at grain boundaries throughout the thickness of the TiO2 film is suggested. It assumes the reactive diffusion of cobalt along grain boundaries in the oxide. A quantitative model of reactive interdiffusion in a bilayer polycrystalline metal-oxide film system with limited solubility of components has been developed. The individual diffusion coefficients of cobalt and titanium have been determined in the temperature interval 923-1073 K.

Optical and electrical properties of bismuth-sulfide (Bi2S3) thin films prepared by thermal evaporation.

NASA Astrophysics Data System (ADS)

Mahmoud, Siham; Sharaf, Fouad

Thin films of Bi2S3, of thickness in the range 300 to 500 nm, were produced by thermal evaporation technique. The reaction consisted in depositing the two elements (bismuth and sulfur) from a boat source and allowing their atoms to interdiffuse to form the compound during the deposition on quartz substrates. The material has been characterized by X-ray studies, optical and electrical measurements. When these films were annealed at 353 K, 393 K and 453 K for 5 hours, a nearly amorphous to polycrystalline transition was observed. The absorption coefficient revealed the existence of an allowed direct transition with Eg = 1.56 eV. The activation energies for electrical conduction in low and high temperature regions are 0.28 eV and 0.73 eV, respectively.

A Solution-Doped Polymer Semiconductor:Insulator Blend for Thermoelectrics.

PubMed

Kiefer, David; Yu, Liyang; Fransson, Erik; Gómez, Andrés; Primetzhofer, Daniel; Amassian, Aram; Campoy-Quiles, Mariano; Müller, Christian

2017-01-01

Poly(ethylene oxide) is demonstrated to be a suitable matrix polymer for the solution-doped conjugated polymer poly(3-hexylthiophene). The polarity of the insulator combined with carefully chosen processing conditions permits the fabrication of tens of micrometer-thick films that feature a fine distribution of the F4TCNQ dopant:semiconductor complex. Changes in electrical conductivity from 0.1 to 0.3 S cm -1 and Seebeck coefficient from 100 to 60 μV K -1 upon addition of the insulator correlate with an increase in doping efficiency from 20% to 40% for heavily doped ternary blends. An invariant bulk thermal conductivity of about 0.3 W m -1 K -1 gives rise to a thermoelectric Figure of merit ZT ∼ 10 -4 that remains unaltered for an insulator content of more than 60 wt%. Free-standing, mechanically robust tapes illustrate the versatility of the developed dopant:semiconductor:insulator ternary blends.

Quantum error-correcting code for ternary logic

NASA Astrophysics Data System (ADS)

Majumdar, Ritajit; Basu, Saikat; Ghosh, Shibashis; Sur-Kolay, Susmita

2018-05-01

Ternary quantum systems are being studied because they provide more computational state space per unit of information, known as qutrit. A qutrit has three basis states, thus a qubit may be considered as a special case of a qutrit where the coefficient of one of the basis states is zero. Hence both (2 ×2 ) -dimensional and (3 ×3 ) -dimensional Pauli errors can occur on qutrits. In this paper, we (i) explore the possible (2 ×2 ) -dimensional as well as (3 ×3 ) -dimensional Pauli errors in qutrits and show that any pairwise bit swap error can be expressed as a linear combination of shift errors and phase errors, (ii) propose a special type of error called a quantum superposition error and show its equivalence to arbitrary rotation, (iii) formulate a nine-qutrit code which can correct a single error in a qutrit, and (iv) provide its stabilizer and circuit realization.

A Solution‐Doped Polymer Semiconductor:Insulator Blend for Thermoelectrics

PubMed Central

Kiefer, David; Yu, Liyang; Fransson, Erik; Gómez, Andrés; Primetzhofer, Daniel; Amassian, Aram; Campoy‐Quiles, Mariano

2016-01-01

Poly(ethylene oxide) is demonstrated to be a suitable matrix polymer for the solution‐doped conjugated polymer poly(3‐hexylthiophene). The polarity of the insulator combined with carefully chosen processing conditions permits the fabrication of tens of micrometer‐thick films that feature a fine distribution of the F4TCNQ dopant:semiconductor complex. Changes in electrical conductivity from 0.1 to 0.3 S cm−1 and Seebeck coefficient from 100 to 60 μV K−1 upon addition of the insulator correlate with an increase in doping efficiency from 20% to 40% for heavily doped ternary blends. An invariant bulk thermal conductivity of about 0.3 W m−1 K−1 gives rise to a thermoelectric Figure of merit ZT ∼ 10−4 that remains unaltered for an insulator content of more than 60 wt%. Free‐standing, mechanically robust tapes illustrate the versatility of the developed dopant:semiconductor:insulator ternary blends. PMID:28105396

Effect of plasma nitriding on the structural stability and hydrogen absorption capability of Pd-coated Nb during thermal treatment

NASA Astrophysics Data System (ADS)

Ohtsu, Naofumi; Kozuka, Taro; Shibata, Yuga; Yamane, Misao

2017-11-01

Plasma nitriding was explored for improving the thermal stability of a composite hydrogen permeable membrane comprising a Pd coating on Nb substrate. A NbN intermediate layer was formed on the Nb substrate, and the progress of interdiffusion and deterioration of hydrogen absorption behavior after a thermal treatment at 573 and 773 K, respectively, were investigated. The intermediate layer significantly suppressed the interdiffusion between the coating and the substrate. Furthermore, an increase in the NbN concentration of the intermediate layer enhanced the suppression efficiency. However, the hydrogen permeability of the intermediate layer was significantly low, and hence, an increase in NbN concentration further decreased the hydrogen permeability. We concluded that the nitride layer with a high NbN content was unsuitable as an intermediate layer owing to its low hydrogen permeability, while the partial nitride layer with a low NbN content was inefficient in suppressing the interdiffusion.

Sodium enhances indium-gallium interdiffusion in copper indium gallium diselenide photovoltaic absorbers.

PubMed

Colombara, Diego; Werner, Florian; Schwarz, Torsten; Cañero Infante, Ingrid; Fleming, Yves; Valle, Nathalie; Spindler, Conrad; Vacchieri, Erica; Rey, Germain; Guennou, Mael; Bouttemy, Muriel; Manjón, Alba Garzón; Peral Alonso, Inmaculada; Melchiorre, Michele; El Adib, Brahime; Gault, Baptiste; Raabe, Dierk; Dale, Phillip J; Siebentritt, Susanne

2018-02-26

Copper indium gallium diselenide-based technology provides the most efficient solar energy conversion among all thin-film photovoltaic devices. This is possible due to engineered gallium depth gradients and alkali extrinsic doping. Sodium is well known to impede interdiffusion of indium and gallium in polycrystalline Cu(In,Ga)Se 2 films, thus influencing the gallium depth distribution. Here, however, sodium is shown to have the opposite effect in monocrystalline gallium-free CuInSe 2 grown on GaAs substrates. Gallium in-diffusion from the substrates is enhanced when sodium is incorporated into the film, leading to Cu(In,Ga)Se 2 and Cu(In,Ga) 3 Se 5 phase formation. These results show that sodium does not decrease per se indium and gallium interdiffusion. Instead, it is suggested that sodium promotes indium and gallium intragrain diffusion, while it hinders intergrain diffusion by segregating at grain boundaries. The deeper understanding of dopant-mediated atomic diffusion mechanisms should lead to more effective chemical and electrical passivation strategies, and more efficient solar cells.

Piezo-/dielectric properties of perovskite-structure high-temperature relaxor ferroelectrics: The Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ternary ceramics

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

Li, Tao; University of Chinese Academy of Sciences, Beijing 100049; Long, Xifa, E-mail: lxf@fjirsm.ac.cn

2014-03-01

Graphical abstract: - Highlights: • Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}-based ternary ferroelectric ceramics were prepared by solid-state synthesis method. • Morphotropic phase boundary region has been determined by XRD, di-/piezoelectric properties. • The compositions near MPB region exhibit excellent piezoelectric properties. - Abstract: A new compositional system of relaxor ferroelectrics was investigated based on the high piezoelectricity Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} ferroelectric perovskite family. Compositions were fabricated near an estimated morphotropic phase boundary (MPB) of the Pb(Lu{sub 1/2}Nb{sub 1/2})O{sub 3}–Pb(Zn{sub 1/3}Nb{sub 2/3})O{sub 3}–PbTiO{sub 3} (PLZNT) ternary system by a two-step synthetic process. Their structures have been analyzed by means ofmore » X-ray diffraction technique. On the basis of X-ray powder diffraction, the morphotropic phase boundary (MPB) region for the ternary system was obtained. The Curie temperature T{sub C} of ternary system varied from 240 °C to 330 °C and the coercive fields E{sub c}s > 10 kV/cm. The values of piezoelectric coefficients d{sub 33} vary in the range of 260–450 pC/N with different PZN contents. It is worth noting that the optimum compositions were located at MPB region but near the tetragonal phase. The new PLZNT ceramics exhibit wider range of T{sub C}s and E{sub c}s, making it a promising material for high-powder ultrasound transducers using in a large temperature range.« less

Measuring Diffusion of Liquids by Common-Path Interferometry

NASA Technical Reports Server (NTRS)

Rashidnia, Nasser

2003-01-01

A method of observing the interdiffusion of a pair of miscible liquids is based on the use of a common-path interferometer (CPI) to measure the spatially varying gradient of the index refraction in the interfacial region in which the interdiffusion takes place. Assuming that the indices of refraction of the two liquids are different and that the gradient of the index of refraction of the liquid is proportional to the gradient in the relative concentrations of either liquid, the diffusivity of the pair of liquids can be calculated from the temporal variation of the spatial variation of the index of refraction. This method yields robust measurements and does not require precise knowledge of the indices of refraction of the pure liquids. Moreover, the CPI instrumentation is compact and is optomechanically robust by virtue of its common- path design. The two liquids are placed in a transparent rectangular parallelepiped test cell. Initially, the interface between the liquids is a horizontal plane, above which lies pure liquid 2 (the less-dense liquid) and below which lies pure liquid 1 (the denser liquid). The subsequent interdiffusion of the liquids gives rise to a gradient of concentration and a corresponding gradient of the index of refraction in a mixing layer. For the purpose of observing the interdiffusion, the test cell is placed in the test section of the CPI, in which a collimated, polarized beam of light from a low-power laser is projected horizontally through a region that contains the mixing layer.

Microstructure and tribological properties of TiCu2Al intermetallic compound coating

NASA Astrophysics Data System (ADS)

Guo, Chun; Zhou, Jiansong; Zhao, Jierong; Wang, Linqian; Yu, Youjun; Chen, Jianmin; Zhou, Huidi

2011-04-01

TiCu2Al ternary intermetallic compound coating has been in situ synthesized successfully on pure Ti substrate by laser cladding. Tribological properties of the prepared TiCu2Al intermetallic compound coating were systematically evaluated. It was found that the friction coefficient and wear rate was closely related to the normal load and sliding speed, i.e., the friction coefficient of the prepared TiCu2Al intermetallic compound coating decreased with increasing normal load and sliding speed. The wear rate of the TiCu2Al intermetallic compound coating decreased rapidly with increasing sliding speed, while the wear rate first increased and then decreased at normal load from 5 to 15 N.

Thermal Evaporation Loss Measurements on Quasicrystal (Ti-Zr-Ni) and Glass Forming (Vit 106 and Vit 106a) Liquids

NASA Astrophysics Data System (ADS)

Blodgett, M. E.; Gangopadhyay, A. K.; Kelton, K. F.

2015-04-01

Thermal evaporation loss measurements made using the electrostatic levitation (ESL) technique for one binary Ti-Zr, two ternary Ti-Zr-Ni, and two glass-forming (Vit 106 and Vit 106a) alloy liquids are reported. The containerless environment enables measurements not only for the equilibrium liquids but also for the metastable supercooled liquids. The data follow the Langmuir equation when the activity coefficient of the solute atoms, a measure for the deviation from the ideal solution behavior, is taken into account. An estimate for the activity coefficient of Ni in the Ti-Zr liquid is made from these data, demonstrating the effectiveness of ESL for such measurements.

Experimental characterization and modelization of ion exchange kinetics for a carboxylic resin in infinite solution volume conditions. Application to monovalent-trivalent cations exchange.

PubMed

Picart, Sébastien; Ramière, Isabelle; Mokhtari, Hamid; Jobelin, Isabelle

2010-09-02

This study is devoted to the characterization of ion exchange inside a microsphere of carboxylic resin. It aims at describing the kinetics of this exchange reaction which is known to be controlled by interdiffusion in the particle. The fractional attainment of equilibrium function of time depends on the concentration of the cations in the resin which can be modelized by the Nernst-Planck equation. A powerful approach for the numerical resolution of this equation is introduced in this paper. This modeling is based on the work of Helfferich but involves an implicit numerical scheme which reduces the computational cost. Knowing the diffusion coefficients of the cations in the resin and the radius of the spherical exchanger, the kinetics can be hence completely determined. When those diffusion parameters are missing, they can be deduced by fitting experimental data of fractional attainment of equilibrium. An efficient optimization tool coupled with the implicit resolution has been developed for this purpose. A monovalent/trivalent cation exchange had been experimentally characterized for a carboxylic resin. Diffusion coefficients and concentration profiles in the resin were then deduced through this new model.

Substitutional and Interstitial Diffusion in alpha2-Ti3Al(O)

NASA Technical Reports Server (NTRS)

Copland, Evan; Young, David J.; Gleeson, Brian; Jacobson, Nathan

2007-01-01

The reaction between Al2O3 and alpha2-Ti3Al was studied with a series of Al2O3/alpha2-Ti3Al multiphase diffusion couples annealed at 900, 1000 and 1100 C. The diffusion-paths were found to strongly depend on alpha2- Ti3Al(O) composition. For alloys with low oxygen concentrations the reaction involved the reduction of Al2O3, the formation of a gamma-TiAl reaction-layer and diffusion of Al and O into the alpha2-Ti3Al substrate. Measured concentration profiles across the interaction-zone showed "up-hill" diffusion of O in alpha2-Ti3Al(O) indicating a significant thermodynamic interaction between O and Al, Ti or both. Diffusion coefficients for the interstitial O in alpha2-Ti3Al(O) were determined independently from the interdiffusion of Ti and Al on the substitutional lattice. Diffusion coefficients are reported for alpha2-Ti3Al(O) as well as gamma-TiAl. Interpretation of the results were aided with the subsequent measurement of the activities of Al, Ti and O in alpha 2-Ti3Al(O) by Knudsen effusion-cell mass spectrometry.

Scaling behavior of nonisothermal phase separation.

PubMed

Rüllmann, Max; Alig, Ingo

2004-04-22

The phase separation process in a critical mixture of polydimethylsiloxane and polyethylmethylsiloxane (PDMS/PEMS, a system with an upper critical solution temperature) was investigated by time-resolved light scattering during continuous quenches from the one-phase into the two-phase region. Continuous quenches were realized by cooling ramps with different cooling rates kappa. Phase separation kinetics is studied by means of the temporal evolution of the scattering vector qm and the intensity Im at the scattering peak. The curves qm(t) for different cooling rates can be shifted onto a single mastercurve. The curves Im(t) show similar behavior. As shift factors, a characteristic length Lc and a characteristic time tc are introduced. Both characteristic quantities depend on the cooling rate through power laws: Lc approximately kappa(-delta) and tc approximately kappa(-rho). Scaling behavior in isothermal critical demixing is well known. There the temporal evolutions of qm and Im for different quench depths DeltaT can be scaled with the correlation length xi and the interdiffusion coefficient D, both depending on DeltaT through critical power laws. We show in this paper that the cooling rate scaling in nonisothermal demixing is a consequence of the quench depth scaling in the isothermal case. The exponents delta and rho are related to the critical exponents nu and nu* of xi and D, respectively. The structure growth during nonisothermal demixing can be described with a semiempirical model based on the hydrodynamic coarsening mechanism well known in the isothermal case. In very late stages of nonisothermal phase separation a secondary scattering maximum appears. This is due to secondary demixing. We explain the onset of secondary demixing by a competition between interdiffusion and coarsening. (c) 2004 American Institute of Physics

Interface modification based ultrashort laser microwelding between SiC and fused silica.

PubMed

Zhang, Guodong; Bai, Jing; Zhao, Wei; Zhou, Kaiming; Cheng, Guanghua

2017-02-06

It is a big challenge to weld two materials with large differences in coefficients of thermal expansion and melting points. Here we report that the welding between fused silica (softening point, 1720°C) and SiC wafer (melting point, 3100°C) is achieved with a near infrared femtosecond laser at 800 nm. Elements are observed to have a spatial distribution gradient within the cross section of welding line, revealing that mixing and inter-diffusion of substances have occurred during laser irradiation. This is attributed to the femtosecond laser induced local phase transition and volume expansion. Through optimizing the welding parameters, pulse energy and interval of the welding lines, a shear joining strength as high as 15.1 MPa is achieved. In addition, the influence mechanism of the laser ablation on welding quality of the sample without pre-optical contact is carefully studied by measuring the laser induced interface modification.

Experimental study of copper-alkali ion exchange in glass

NASA Astrophysics Data System (ADS)

Gonella, F.; Caccavale, F.; Bogomolova, L. D.; D'Acapito, F.; Quaranta, A.

1998-02-01

Copper-alkali ion exchange was performed by immersing different silicate glasses (soda-lime and BK7) in different molten eutectic salt baths (CuSO4:Na2SO4 and CuSO4:K2SO4). The obtained optical waveguides were characterized by m-lines spectroscopy for the determination of refractive index profiles, and by secondary ion mass spectrometry for the concentration profiles of the ion species involved in the exchange process. The different oxidation states of copper inside the glass structure were studied by electron paramagnetic resonance and x-ray absorption techniques. Interdiffusion copper coefficients were also determined. The Cu-alkali exchange was observed to give rise to local structural rearrangement of the atoms in the glass matrix. The Cu+ ion was found to mainly govern the exchange process, while competition between Cu-Na and K-Na exchanges occurred when a potassium sulfate bath was used. In this case, significant waveguide modal birefringence was observed.

[Rapid determination of the components in ternary blended edible oil using near infrared transmission spectroscopy].

PubMed

Liu, Fu-Li; Chen, Hua-Cai

2009-08-01

The FT-NIR transmission spectra of ternary blended edible oil samples were collected over 10 000-4 200 cm(-1). After being pretreated with different methods, the calibration models of quantitative analysis of soybean oil, peanut oil and corn oil contents in ternary blended edible oil were established using partial least square (PLS) regression. The accuracy and precision of the models for the predicted sample set were examined to make sure of the practicability of the models. After being pretreated with first derivative and multiplicative signal correction (FD+MSC), the optimal soybean oil NIR model was built over 5 450.1-4 597.7 cm(-1). The best prediction model for peanut oil was established between 7 521.3 and 6 098.1 cm(-1) after using first derivative with straight line subtraction (FD+SLS) preprocess method. The best pretreated method and the best spectrum range for corn oil content model were first derivative (FD) and 9 993.7-7 498.2 cm(-1), respectively. The best correlation coefficients (R2) of the three prediction models were 99.89%, 99.88% and 99.76%, respectively. The RMSEP of the soybean oil content model was 1.09%, while the peanut oil prediction model's RMSEP was 1.17%, and 1.48% for the corn oil prediction model. The values of the t-test were between 0.007 9 and 0.371 9, and all values of the relative standard deviation (RSD) were less than 1.50%. The results showed that NIR could be an ideal tool for fast determination of the soybean oil, peanut oil and corn oil contents in ternary blended edible oil.

Role of Si on the Diffusional Interactions Between U-Mo and Al-Si Alloys at 823 K (550 °C)

NASA Astrophysics Data System (ADS)

Perez, Emmanuel; Sohn, Yong-Ho; Keiser, Dennis D.

2013-01-01

U-Mo dispersions in Al-alloy matrix and monolithic fuels encased in Al-alloy are under development to fulfill the requirements for research and test reactors to use low-enriched molybdenum stabilized uranium alloy fuels. Significant interaction takes place between the U-Mo fuel and Al during manufacturing and in-reactor irradiation. The interaction products are Al-rich phases with physical and thermal characteristics that adversely affect fuel performance and result in premature failure. Detailed analysis of the interdiffusion and microstructural development of this system was carried through diffusion couples consisting of U-7 wt pct Mo, U-10 wt pct Mo and U-12 wt pct Mo in contact with pure Al, Al-2 wt pct Si, and Al-5 wt pct Si, annealed at 823 K (550 °C) for 1, 5 and 20 hours. Scanning electron microscopy and transmission electron microscopy were employed for the analysis. Diffusion couples consisting of U-Mo in contact with pure Al contained UAl3, UAl4, U6Mo4Al43, and UMo2Al20 phases. Additions of Si to the Al significantly reduced the thickness of the interdiffusion zone. The interdiffusion zones developed Al- and Si-enriched regions, whose locations and size depended on the Si and Mo concentrations in the terminal alloys. In these couples, the (U,Mo)(Al,Si)3 phase was observed throughout the interdiffusion zone, and the U6Mo4Al43 and UMo2Al20 phases were observed only where the Si concentrations were low.

Polymer Disentanglement during 3D Printing

NASA Astrophysics Data System (ADS)

McIlroy, Claire; Olmsted, Peter D.

Although 3D printing has the potential to transform manufacturing processes, improving the strength of printed parts to rival that of traditionally-manufactured parts remains an underlying issue. The most common method, fused filament fabrication (FFF), involves melting a thermoplastic, followed by layer-by-layer filament extrusion to fabricate a 3D object. The key to ensuring strength at the weld between layers is successful inter-diffusion and re-entanglement of the melt across the interface. Under typical printing conditions the melt experiences high strain rates within the nozzle, which can significantly stretch and orient the polymers. Consequently, inter-diffusion does not occur from an equilibrium state. The printed layer also cools towards the glass transition, which limits inter-diffusion time. We employ a continuum polymer model (Rolie-Poly) that incorporates flow-induced changes in the entanglement density to predict how an amorphous polymer melt is deformed during FFF. The deformation is dominated by the deposition process, which involves a 90 degree turn and transformation from circular to elliptical geometry. Polymers become highly stretched and aligned with the flow direction, which significantly disentangles the melt via convective constraint release.

Magnetic moments, coupling, and interface interdiffusion in Fe/V(001) superlattices

NASA Astrophysics Data System (ADS)

Schwickert, M. M.; Coehoorn, R.; Tomaz, M. A.; Mayo, E.; Lederman, D.; O'brien, W. L.; Lin, Tao; Harp, G. R.

1998-06-01

Epitaxial Fe/V(001) multilayers are studied both experimentally and by theoretical calculations. Sputter-deposited epitaxial films are characterized by x-ray diffraction, magneto-optical Kerr effect, and x-ray magnetic circular dichroism. These results are compared with first-principles calculations modeling different amounts of interface interdiffusion. The exchange coupling across the V layers is observed to oscillate, with antiferromagnetic peaks near the V layer thicknesses tV~22, 32, and 42 Å. For all films including superlattices and alloys, the average V magnetic moment is antiparallel to that of Fe. The average V moment increases slightly with increasing interdiffusion at the Fe/V interface. Calculations modeling mixed interface layers and measurements indicate that all V atoms are aligned with one another for tV<~15 Å, although the magnitude of the V moment decays toward the center of the layer. This ``transient ferromagnetic'' state arises from direct (d-d) exchange coupling between V atoms in the layer. It is argued that the transient ferromagnetism suppresses the first antiferromagnetic coupling peak between Fe layers, expected to occur at tV~12 Å.

Synthesis and characterization of MoS2/Ti composite coatings on Ti6Al4V prepared by laser cladding

NASA Astrophysics Data System (ADS)

Yang, Rongjuan; Liu, Zongde; Wang, Yongtian; Yang, Guang; Li, Hongchuan

2013-02-01

The MoS2/Ti composite coating with sub-micron grade structure has been prepared on Ti6Al4V by laser method under argon protection. The morphology, microstructure, microhardness and friction coefficient of the coating were examined. The results indicated that the molybdenum disulfide was decomposed during melting and resolidification. The phase organization of composite coating mainly consisted of ternary element sulfides, molybdenum sulfides and titanium sulfides. The friction coefficient of and the surface roughness the MoS2/Ti coating were lower than those of Ti6Al4V. The composite coating exhibits excellent adhesion to the substrates, less surface roughness, good wear resistance and harder surface.

Apparatus for forming thin-film heterojunction solar cells employing materials selected from the class of I-III-VI.sub.2 chalcopyrite compounds

DOEpatents

Mickelsen, Reid A.; Chen, Wen S.

1983-01-01

Apparatus for forming thin-film, large area solar cells having a relatively high light-to-electrical energy conversion efficiency and characterized in that the cell comprises a p-n-type heterojunction formed of: (i) a first semiconductor layer comprising a photovoltaic active material selected from the class of I-III-VI.sub.2 chalcopyrite ternary materials which is vacuum deposited in a thin "composition-graded" layer ranging from on the order of about 2.5 microns to about 5.0 microns (.congruent.2.5 .mu.m to .congruent.5.0 .mu.m) and wherein the lower region of the photovoltaic active material preferably comprises a low resistivity region of p-type semiconductor material having a superimposed region of relatively high resistivity, transient n-type semiconductor material defining a transient p-n homojunction; and (ii), a second semiconductor layer comprising a low resistivity n-type semiconductor material wherein interdiffusion (a) between the elemental constituents of the two discrete juxtaposed regions of the first semiconductor layer defining a transient p-n homojunction layer, and (b) between the transient n-type material in the first semiconductor layer and the second n-type semiconductor layer, causes the transient n-type material in the first semiconductor layer to evolve into p-type material, thereby defining a thin layer heterojunction device characterized by the absence of voids, vacancies and nodules which tend to reduce the energy conversion efficiency of the system.

First principles study on structural, electronic and optical properties of Ga1-xBxP ternary alloys (x = 0, 0.25, 0.5, 0.75 and 1)

NASA Astrophysics Data System (ADS)

Hoat, D. M.; Rivas Silva, J. F.; Méndez Blas, A.

2018-07-01

The structural, electronic and optical properties of GaP, BP binary compounds and their ternary alloys Ga1-xBxP (x = 0.25, 0.5 and 0.75) have been studied by full-potential linearized augmented plane wave (FP-LAPW) method within the framework of density functional theory (DFT) as implemented in WIEN2k package. Local density approximation (LDA) and generalized gradient approximation (GGA) as proposed by Perdew-Burke-Ernzerhof (PBE), Wu-Cohen (WC) and PBE for solid (PBESol) were used for treatment of exchange-correlation effect in calculations. Additionally, the Tran-Blaha modified Becke-Johnson (mBJ) potential was also employed for electronic and optical calculations due to that it gives very accurate band gap of solids. As B concentration increases, the lattice constant reduces and the energy band gap firstly decreases for small composition x and then it shows increasing trend until pure BP. Our results show that the indirect-direct band gap transition can be reached from x = 0.33. The linear optical properties, such as reflectivity, absorption coefficient, refractive index and optical conductivity of binary compounds and ternary alloys were derived from their calculated complex dielectric function in wide energy range up to 30 eV, and the alloying effect on these properties was also analyzed in detail.

Coherent assembly of heterostructures in ternary and quaternary carbonitrides

NASA Astrophysics Data System (ADS)

Caicedo, J. C.; Aperador, W.; Saldarriaga, W.

2018-05-01

In this study, ternary and quaternary carbonitride heterostructure systems were grown on silicon (100) substrates in order to investigate coherent assembly in TiCN/TiNbCN. The heterostructure films were grown using the reactive r. f. magnetron sputtering technique by systematically varying the bilayer period (Λ) and the bilayer number (n), while maintaining a constant total coating thickness (∼3 μm). The heterostructures were characterized by high angle X-ray diffraction (HA-XRD) and low angle X-ray diffraction, while the TiCN and TiNbCN layers were analyzed by X-ray photoelectron spectroscopy and transmission electron microscopy. The HA-XRD results indicated preferential growth in the face-centered cubic (111) crystal structure for the [TiCN/TiNbCN]n heterostructures. The maximum coherent assembly was observed with the presence of satellite peaks. Thus, ternary and quaternary carbonitride films were designed and deposited on Si (100) substrates with bilayer periods (Λ) in a broad range from nanometers to hundreds of nanometers in order to study the structural evolution and coherent assembly progress as the bilayer thickness decreased. We determined physical properties comprising the critical angle (θc) (0.362°), electronic density (ρe) (0.521 × 1033 el/m3), dispersion coefficient (δ) (0.554 el/m3), and refractive index (n) (0.999944) as functions of the number of bilayers (n).

Structural, electronic, mechanical, thermal and optical properties of B(P,As)1-xNx; (x = 0, 0.25, 0.5, 0.75, 1) alloys and hardness of B(P,As) under compression using DFT calculations

NASA Astrophysics Data System (ADS)

Viswanathan, E.; Sundareswari, M.; Jayalakshmi, D. S.; Manjula, M.; Krishnaveni, S.

2017-09-01

First principles calculations are carried out in order to analyze the structural, electronic, mechanical, thermal and optical properties of BP and BAs compounds by ternary alloying with nitrogen namely B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys at ambient condition. Thereby we report the mechanical and thermal properties of B(P,As)1-xNx (x = 0.25, 0.5, 0.75) alloys namely bulk modulus, shear modulus, Young's modulus, hardness, ductile-brittle nature, elastic wave velocity, Debye temperature, melting point, etc.; optical properties of B(P)1-xNx (x = 0.25, 0.5, 0.75) and B(As)1-xNx (x = 0.25, 0.75) alloys namely the dielectric function of real and imaginary part, refractive index, extinction coefficient and reflectivity and the hardness profile of the parent compounds BP and BAs under compression. The charge density plot, density of states histograms and band structures are plotted and discussed for all the ternary alloys of the present study. The calculated results agree very well with the available literature. Analysis of the present study reveals that the ternary alloy combinations namely BP.25N.75 and BAs.25N.75 could be superhard materials; hardness of BP and BAs increases with compression.

First-Principles Study of Electronic Structure, Mechanical, and Thermoelectric Properties of Ternary Palladates CdPd3O4 and TlPd3O4

NASA Astrophysics Data System (ADS)

Khan, Amin; Ali, Zahid; Khan, Imad; Ahmad, Iftikhar

2018-03-01

Ternary palladates CdPd3O4 and TlPd3O4 have been studied theoretically using the generalized gradient approximation (GGA), modified Becke-Johnson, and spin-orbit coupling (GGA-SOC) exchange-correlation functionals in the density functional theory (DFT) framework. From the calculated ground-state properties, it is found that SOC effects are dominant in these palladates. Mechanical properties reveal that both compounds are ductile in nature. The electronic band structures show that CdPd3O4 is metallic, whereas TlPd3O4 is an indirect-bandgap semiconductor with energy gap of 1.1 eV. The optical properties show that TlPd3O4 is a good dielectric material. The dense electronic states, narrow-gap semiconductor nature, and Seebeck coefficient of TlPd3O4 suggest that it could be used as a good thermoelectric material. The magnetic susceptibility calculated by post-DFT treatment confirmed the paramagnetic behavior of these compounds.

Synthesis and characterization of thermally evaporated Cu2SnSe3 ternary semiconductor

NASA Astrophysics Data System (ADS)

Hamdani, K.; Chaouche, M.; Benabdeslem, M.; Bechiri, L.; Benslim, N.; Amara, A.; Portier, X.; Bououdina, M.; Otmani, A.; Marie, P.

2014-11-01

Copper Tin Selenide (CuSnSe) powder was mechanically alloyed by high energy planetary ball milling, starting from elemental powders. Synthesis time and velocity have been optimized to produce Cu2SnSe3 materials. Thin films were prepared by thermal evaporation on Corning glass substrate at Ts = 300 °C. The structural, compositional, morphological and optical properties of the synthesized semiconductor have been analyzed by X-ray diffraction (XRD), energy dispersive X-ray analysis (EDAX), scanning electron microscopy (SEM) and transmission electron microscopy. The analyzed powder exhibited a cubic crystal structure, with the presence of Cu2Se as a secondary phase. On the other hand, the deposited films showed a cubic Cu2SnSe3 ternary phase and extra peaks belonging to some binary compounds. Furthermore, optical measurements showed that the deposited layers have a relatively high absorption coefficient of 105 cm-1 and present a band gap of 0.94 eV.

Advanced methods for preparation and characterization of infrared detector materials. [mercury cadmium telluride alloys

NASA Technical Reports Server (NTRS)

Lehoczky, S. L.; Szofran, F. R.

1981-01-01

Differential thermal analysis data were obtained on mercury cadmium telluride alloys in order to establish the liquidus temperatures for the various alloy compositions. Preliminary theoretical analyses was performed to establish the ternary phase equilibrium parameters for the metal rich region of the phase diagram. Liquid-solid equilibrium parameters were determined for the pseudobinary alloy system. Phase equilibrium was calculated and Hg(l-x) Cd(x) Te alloys were directionally solidified from pseudobinary melts. Electrical resistivity and Hall coefficient measurements were obtained.

Anisotropic Brownian motion in ordered phases of DNA fragments.

PubMed

Dobrindt, J; Rodrigo Teixeira da Silva, E; Alves, C; Oliveira, C L P; Nallet, F; Andreoli de Oliveira, E; Navailles, L

2012-01-01

Using Fluorescence Recovery After Photobleaching, we investigate the Brownian motion of DNA rod-like fragments in two distinct anisotropic phases with a local nematic symmetry. The height of the measurement volume ensures the averaging of the anisotropy of the in-plane diffusive motion parallel or perpendicular to the local nematic director in aligned domains. Still, as shown in using a model specifically designed to handle such a situation and predicting a non-Gaussian shape for the bleached spot as fluorescence recovery proceeds, the two distinct diffusion coefficients of the DNA particles can be retrieved from data analysis. In the first system investigated (a ternary DNA-lipid lamellar complex), the magnitude and anisotropy of the diffusion coefficient of the DNA fragments confined by the lipid bilayers are obtained for the first time. In the second, binary DNA-solvent system, the magnitude of the diffusion coefficient is found to decrease markedly as DNA concentration is increased from isotropic to cholesteric phase. In addition, the diffusion coefficient anisotropy measured within cholesteric domains in the phase coexistence region increases with concentration, and eventually reaches a high value in the cholesteric phase.

The effect of the averaged structural and energetic features on the cohesive energy of nanocrystals

NASA Astrophysics Data System (ADS)

Ali Safaei

2010-03-01

The size dependency of the cohesive energy of nanocrystals is obtained in terms of their averaged structural and energetic properties, which are in direct proportion with their cohesive energies. The significance of the effect of the geometrical shape of nanoparticles on their thermal stability has been discussed. The model has been found to have good prediction for the case of Cu and Al nanoparticles, with sizes in the ranges of 1-22 nm and 2-22 nm, respectively. Defining a new parameter, named as the surface-to-volume energy-contribution ratio, the relative thermal stabilities of different nanoclusters and their different surface-crystalline faces are discussed and compared to the molecular dynamic (MD) simulation results of copper nanoclusters. Finally, based on the size dependency of the cohesive energy, a formula for the size-dependent diffusion coefficient has been presented which includes the structural and energetic effects. Using this formula, the faster-than-expected interdiffusion/alloying of Au(core)-Ag(shell) nanoparticles with the core-shell structure, the Au-core diameter of 20 nm and the Ag-shell thickness of 2.91 nm, has been discussed and the calculated diffusion coefficient has been found to be consistent with its corresponding experimental value.

Radiation effects on interface reactions of U/Fe, U/(Fe+Cr), and U/(Fe+Cr+Ni)

DOE PAGES

Shao, Lin; Chen, Di; Wei, Chaochen; ...

2014-10-01

We study the effects of radiation damage on interdiffusion and intermetallic phase formation at the interfaces of U/Fe, U/(Fe + Cr), and U/(Fe + Cr + Ni) diffusion couples. Magnetron sputtering is used to deposit thin films of Fe, Fe + Cr, or Fe + Cr + Ni on U substrates to form the diffusion couples. One set of samples are thermally annealed under high vacuum at 450 C or 550 C for one hour. A second set of samples are annealed identically but with concurrent 3.5 MeV Fe++ ion irradiation. The Fe++ ion penetration depth is sufficient to reachmore » the original interfaces. Rutherford backscattering spectrometry analysis with high fidelity spectral simulations is used to obtain interdiffusion profiles, which are used to examine differences in U diffusion and intermetallic phase formation at the buried interfaces. For all three diffusion systems, Fe++ ion irradiations enhance U diffusion. Furthermore, the irradiations accelerate the formation of intermetallic phases. In U/Fe couples, for example, the unirradiated samples show typical interdiffusion governed by Fick’s laws, while the irradiated ones show step-like profiles influenced by Gibbs phase rules.« less

A modelling study of the inter-diffusion layer formation in U-Mo/Al dispersion fuel plates at high power

NASA Astrophysics Data System (ADS)

Ye, B.; Hofman, G. L.; Leenaers, A.; Bergeron, A.; Kuzminov, V.; Van den Berghe, S.; Kim, Y. S.; Wallin, H.

2018-02-01

Post irradiation examinations of full-size U-Mo/Al dispersion fuel plates fabricated with ZrN- or Si- coated U-Mo particles revealed that the reaction rate of irradiation-induced U-Mo-Al inter-diffusion, an important microstructural change impacting the performance of this type of fuel, transited at a threshold temperature/fission rate. The existing inter-diffusion layer (IL) growth correlation, which does not describe the transition behavior of IL growth, was modified by applying a temperature-dependent multiplication factor that transits around a threshold fission rate. In-pile irradiation data from four tests in the BR2 reactors, including FUTURE, E-FUTURE, SELEMIUM, and SELEMIUM-1a, were utilized to determine and validate the updated IL growth correlation. Irradiation behavior of the plates was simulated with the DART-2D computational code. The general agreement between the calculated and measured fuel meat swelling and constituent volume fractions as a function of fission density demonstrated the plausibility of the updated IL growth correlation. The simulation results also suggested the temperature dependence of the IL growth rate, similar to the temperature dependence of the inter-mixing rate in ion-irradiated bi-layer systems.

Electron-ion recombination in low temperature hydrogen/deuterium plasma

NASA Astrophysics Data System (ADS)

Glosík, Juraj; Dohnal, Petr; Kálosi, Ábel; Augustovičová, Lucie D.; Shapko, Dmytro; Roučka, Štěpán; Plašil, Radek

2018-01-01

The stationary afterglow with cavity ring down spectrometer (SA-CRDS) was used to study the recombination of H3+, H2D+, HD2+ and D3+ ions with electrons in low temperature (77-300 K) plasmas in He/Ar/H2/D2 gas mixtures. By measuring effective recombination rate coefficients (αeff) in plasma with mixtures of ions and their dependences on temperature and partial densities of He, H2 and D2, αeff (T, [He],[H2],[D2]), we determined binary (αbinH3, αbinH2D, αbinHD2, αbinD3) and ternary (KH3, KH2D, KHD2, KD3) recombination rate coefficients for H3+, H2D+, HD2+ and D3+ ions. For all four ions we observed very efficient He assisted ternary recombination which is comparable with binary recombination already at [He] =1 × 1017 cm-3. The removal of excited particles in afterglow plasma was monitored to obtain the plasma thermalisation rate at given experimental conditions. The inferred deexcitation rates for reaction of helium metastable atoms with D2 are kD2 (300 K)=(2.1 ± 0.3) × 10-10 cm3 s-1 and kD2 (140 K)=(1.3 ± 0.3) × 10-10 cm3 s-1. Contribution to the topical issue "Plasma Sources and Plasma Processes (PSPP)", edited by Luis Lemos Alves, Thierry Belmonte and Tiberiu Minea.

Uranyl(VI) nitrate salts: modeling thermodynamic properties using the binding mean spherical approximation theory and determination of "fictive" binary data.

PubMed

Ruas, Alexandre; Bernard, Olivier; Caniffi, Barbara; Simonin, Jean-Pierre; Turq, Pierre; Blum, Lesser; Moisy, Philippe

2006-02-23

This work is aimed at a description of the thermodynamic properties of highly concentrated aqueous solutions of uranyl nitrate at 25 degrees C. A new resolution of the binding mean spherical approximation (BIMSA) theory, taking into account 1-1 and also 1-2 complex formation, is developed and used to reproduce, from a simple procedure, experimental uranyl nitrate osmotic coefficient variation with concentration. For better consistency of the theory, binary uranyl perchlorate and chloride osmotic coefficients are also calculated. Comparison of calculated and experimental values is made. The possibility of regarding the ternary system UO(2)(NO(3))(2)/HNO(3)/H(2)O as a "simple" solution (in the sense of Zdanovskii, Stokes, and Robinson) is examined from water activity and density measurements. Also, an analysis of existing uranyl nitrate binary data is proposed and compared with our obtained data. On the basis of the concept of "simple" solution, values for density and water activity for the binary system UO(2)(NO(3))(2)/H(2)O are proposed in a concentration range on which uranyl nitrate precipitates from measurements on concentrated solutions of the ternary system UO(2)(NO(3))(2)/HNO(3)/H(2)O. This new set of binary data is "fictive" in the sense that the real binary system is not stable chemically. Finally, a new, interesting predictive capability of the BIMSA theory is shown.

Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

NASA Astrophysics Data System (ADS)

Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.

2013-07-01

Multicomponent diffusion in liquids is ubiquitous in (bio)chemical processes. It has gained considerable and increasing interest as it is often the rate limiting step in a process. In this paper, we review methods for calculating diffusion coefficients from molecular simulation and predictive engineering models. The main achievements of our research during the past years can be summarized as follows: (1) we introduced a consistent method for computing Fick diffusion coefficients using equilibrium molecular dynamics simulations; (2) we developed a multicomponent Darken equation for the description of the concentration dependence of Maxwell-Stefan diffusivities. In the case of infinite dilution, the multicomponent Darken equation provides an expression for [InlineEquation not available: see fulltext.] which can be used to parametrize the generalized Vignes equation; and (3) a predictive model for self-diffusivities was proposed for the parametrization of the multicomponent Darken equation. This equation accurately describes the concentration dependence of self-diffusivities in weakly associating systems. With these methods, a sound framework for the prediction of mutual diffusion in liquids is achieved.

The optical spectrum of ternary alloy BBi1-xAsx

NASA Astrophysics Data System (ADS)

Yalcin, Battal G.; Aslan, M.; Ozcan, M. H.; Rahnamaye Aliabad, H. A.

2016-06-01

Among the III-V semiconductors, boron BBi and BAs as well as their alloys have attracted both scientific and technological interest in recent years. We present a calculation of the structural, electronic and optical properties of ternary alloy BBi1-xAsx by means of the WIEN2k software package. The exchange-correlation potential is treated by the generalized gradient approximation (GGA) within the schema of Wu and Cohen. Also, we have used the modified Becke-Johnson (mBJ) formalism to improve the band gap results. All the calculations have been performed after geometry optimization. In this study, we have investigated structural properties such as the lattice constant (a0), bulk modulus (B0) and its pressure derivative (B‧), and calculated the electronic band structures of the studied materials. Accurate calculation of linear optical properties, such as real (ɛ 1) and imaginary (ɛ 2) dielectric functions, reflectivity (R), electron energy loss spectrum, absorption coefficient (α), refractive index (n) and sum rule (Neff) are investigated. Our obtained results for studied binary compounds, BBi and BAs, fairly coincide with other theoretical calculations and experimental measurements. According to the best of our knowledge, no experimental or theoretical data are presently available for the studied ternary alloy BBi1-xAsx (0 < x < 1). The role of electronic band structure calculation with regards to the linear optical properties of BBi1-xAsx is discussed. The effect of the spin-orbit interaction (SOI) is also investigated and found to be quite small.

Evaluation of the efficiency of continuous wavelet transform as processing and preprocessing algorithm for resolution of overlapped signals in univariate and multivariate regression analyses; an application to ternary and quaternary mixtures

NASA Astrophysics Data System (ADS)

Hegazy, Maha A.; Lotfy, Hayam M.; Mowaka, Shereen; Mohamed, Ekram Hany

2016-07-01

Wavelets have been adapted for a vast number of signal-processing applications due to the amount of information that can be extracted from a signal. In this work, a comparative study on the efficiency of continuous wavelet transform (CWT) as a signal processing tool in univariate regression and a pre-processing tool in multivariate analysis using partial least square (CWT-PLS) was conducted. These were applied to complex spectral signals of ternary and quaternary mixtures. CWT-PLS method succeeded in the simultaneous determination of a quaternary mixture of drotaverine (DRO), caffeine (CAF), paracetamol (PAR) and p-aminophenol (PAP, the major impurity of paracetamol). While, the univariate CWT failed to simultaneously determine the quaternary mixture components and was able to determine only PAR and PAP, the ternary mixtures of DRO, CAF, and PAR and CAF, PAR, and PAP. During the calculations of CWT, different wavelet families were tested. The univariate CWT method was validated according to the ICH guidelines. While for the development of the CWT-PLS model a calibration set was prepared by means of an orthogonal experimental design and their absorption spectra were recorded and processed by CWT. The CWT-PLS model was constructed by regression between the wavelet coefficients and concentration matrices and validation was performed by both cross validation and external validation sets. Both methods were successfully applied for determination of the studied drugs in pharmaceutical formulations.

Thermodynamic studies of aqueous solutions of 2,2,2-cryptand at 298.15 K: enthalpy-entropy compensation, partial entropies, and complexation with K+ ions.

PubMed

Shaikh, Vasim R; Terdale, Santosh S; Ahamad, Abdul; Gupta, Gaurav R; Dagade, Dilip H; Hundiwale, Dilip G; Patil, Kesharsingh J

2013-12-19

The osmotic coefficient measurements for binary aqueous solutions of 2,2,2-cryptand (4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8] hexacosane) in the concentration range of ~0.009 to ~0.24 mol·kg(-1) and in ternary aqueous solutions containing a fixed concentration of 2,2,2-cryptand of ~0.1 mol·kg(-1) with varying concentration of KBr (~0.06 to ~0.16 mol·kg(-1)) have been reported at 298.15 K. The diamine gets hydrolyzed in aqueous solutions and needs proper approach to obtain meaningful thermodynamic properties. The measured osmotic coefficient values are corrected for hydrolysis and are used to determine the solvent activity and mean ionic activity coefficients of solute as a function of concentration. Strong ion-pair formation is observed, and the ion-pair dissociation constant for the species [CrptH](+)[OH(-)] is reported. The excess and mixing thermodynamic properties (Gibbs free energy, enthalpy, and entropy changes) have been obtained using the activity data from this study and the heat data reported in the literature. Further, the data are utilized to compute the partial molal entropies of solvent and solute at finite as well as infinite dilution of 2,2,2-cryptand in water. The concentration dependent non-linear enthalpy-entropy compensation effect has been observed for the studied system, and the compensation temperature along with entropic parameter are reported. Using solute activity coefficient data in ternary solutions, the transfer Gibbs free energies for transfer of the cryptand from water to aqueous KBr as well as transfer of KBr from water to aqueous cryptand were obtained and utilized to obtain the salting constant (ks) and thermodynamic equilibrium constant (log K) values for the complex (2,2,2-cryptand:K(+)) at 298.15 K. The value of log K = 5.8 ± 0.1 obtained in this work is found to be in good agreement with that reported by Lehn and Sauvage. The standard molar entropy for complexation is also estimated for the 2,2,2-cryptand-KBr complex in aqueous medium.

Influence of processing sequence on the tribological properties of VGCF-X/PA6/SEBS composites

NASA Astrophysics Data System (ADS)

Osada, Yu; Nishitani, Yosuke; Kitano, Takeshi

2016-03-01

In order to develop the new tribomaterials for mechanical sliding parts with sufficient balance of mechanical and tribological properties, we investigated the influence of processing sequence on the tribological properties of the ternary nanocomposites: the polymer blends of polyamide 6 (PA6) and styrene-ethylene/butylene-styrene copolymer (SEBS) filled with vapor grown carbon fiber (VGCF-X), which is one of carbon nanofiber (CNF) and has 15nm diameter and 3μm length. Five different processing sequences: (1) VGCF-X, PA6 and SEBS were mixed simultaneously (Process A), (2) Re-mixing (Second compounding) of the materials prepared by Process A (Process AR),(3) SEBS was blended with PA6 (PA6/SEBS blends) and then these blends were mixed with VGCF-X (Process B), (4) VGCF-X was mixed with PA6 (VGCF-X/PA6 composites) and then these composites were blended with SEBS (Process C), and (5) VGCF-X were mixed with SEBS (VGCF-X/SEBS composites) and then these composites were blended with PA6 (Process D) were attempted for preparing of the ternary nanocomposites (VGCF-X/PA6/SEBS composites). These ternary polymer nanocomposites were extruded by a twin screw extruder and injection-molded. Their tribological properties were evaluated by using a ring-on-plate type sliding wear tester under dry condition. The tribological properties such as the frictional coefficient and the specific wear rate were influenced by the processing sequence. These results may be attributed to the change of internal structure formation, which is a dispersibility of SEBS particle and VGCF-X in ternary nanocomposites (VGCF-X/PA6/SEBS) by different processing sequences. In particular, the processing sequences of AR, B and D, which are those of re-mixing of VGCF-X, have a good dispersibility of VGCF-X for the improvement of tribological properties.

Effect of humic acid & bacterial exudates on sorption-desorption interactions of 90Sr with brucite.

PubMed

Ashworth, Hollie; Abrahamsen-Mills, Liam; Bryan, Nick; Foster, Lynn; Lloyd, Jonathan R; Kellet, Simon; Heath, Sarah

2018-05-18

One of the nuclear fuel storage ponds at Sellafield (United Kingdom) is open to the air, and has contained a significant inventory of corroded magnox fuel and sludge for several decades. As a result, some fission products have also been released into solution. 90Sr is known to constitute a small mass of the radionuclides present in the pond, but due to its solubility and activity, it is at risk of challenging effluent discharge limits. The sludge is predominantly composed of brucite (Mg(OH)2), and organic molecules are known to be present in the pond liquor with occasional algal blooms restricting visibility. Understanding the chemical interactions of these components is important to inform ongoing sludge retrievals and effluent management. Additionally, interactions of radionuclides with organics at high pH will be an important consideration for the evolution of cementitious backfilled disposal sites in the UK. Batch sorption-desorption experiments were performed with brucite, 90Sr and natural organic matter (NOM) (humic acid (HA) and Pseudanabaena catenata cyanobacterial growth supernatant) in both binary and ternary systems at high pH. Ionic strength, pH and order of addition of components were varied. 90Sr was shown not to interact strongly with the bulk brucite surface in binary systems under pH conditions relevant to the pond. HA in both binary and ternary systems demonstrated a strong affinity for the brucite surface. Ternary systems containing HA demonstrated enhanced sorption of 90Sr at pH 11.5 and vice versa, likely via formation of strontium-humate complexes regardless of the order of addition of components. The distribution coefficients show HA sorption to be reversible at all pH values studied, and it appeared to control 90Sr behaviour at pH 11.5. Ternary systems containing cyanobacterial supernatant demonstrated a difference in 90Sr behaviour when the culture had been subjected to irradiation in the first stages of its growth.

Effects of Sn Layer Orientation on the Evolution of Cu/Sn Interfaces

NASA Astrophysics Data System (ADS)

Sun, Menglong; Zhao, Zhangjian; Hu, Fengtian; Hu, Anmin; Li, Ming; Ling, Huiqin; Hang, Tao

2018-03-01

The effects of Sn layer orientation on the evolution of Cu/Sn joint interfaces were investigated. Three Sn layers possessing (112), (321) and (420) orientations were electroplated on polycrystalline Cu substrates respectively. The orientations of Sn layer preserved during reflowing at 250 °C for 10 s. After aging at 150 °C for different time, the interfacial microstructures were observed from the cross-section and top-view. The alignment between the c-axis of Sn and Cu diffusion direction significantly sped up the Cu diffusion, leading to the thickest intermetallic compound layer formed in (112) joint. Two types of voids, namely, intracrystalline voids and grain islanding caused intercrystalline voids generated at Cu/Cu3Sn interfaces due to the different interdiffusion coefficients of Cu and Sn (112) oriented Sn/Cu joint produced many more voids than (321) joint, and no voids were detected in (420) joint. Therefore, to enhance the reliability of solder joints, using (420) oriented Sn as solder layer could be an efficient way.

Interdiffusion behaviors in doped molybdenum uranium and aluminum or aluminum silicon dispersion fuels: Effects of the microstructure

NASA Astrophysics Data System (ADS)

Allenou, J.; Tougait, O.; Pasturel, M.; Iltis, X.; Charollais, F.; Anselmet, M. C.; Lemoine, P.

2011-09-01

Si addition to Al is considered as a promising route to reduce (U,Mo)-Al interaction kinetics, due to its accumulation in the interaction layer, yielding the formation of silicide phases. The (U,Mo) alloy microstructure, and especially its homogenization state, could play a role on this accumulation process. The addition of a third element in γ(U,Mo) could also influence diffusion mechanisms of Al and Si. These two parameters were studied by means of diffusion couple experiments by joining γU based alloys with Al and (Al,Si) alloy. Chemical elements X added into γ(U,Mo) were thoroughly chosen on the following criteria: (i) the potential solubility of the alloying element into the γ(U,Mo) matrix, (ii) its capability to form the ternary aluminides based on the CeCr 2Al 20 and Ho 6Mo 4Al 43 - types, and (iii) the feasibility to control the microstructure of the alloys. On this basis, a test matrix is defined. It concerns γ(U80,Mo15,X5) alloys (in at.%) with X = Y, Cu, Zr, Ti or Cr. These alloys were homogenized and coupled with Al or (Al,Si) alloy. Results evidenced, first, the importance of the state of homogenization of the γ(U,Mo) binary alloy on interaction processes with (Al,Si) alloy, and the benefit on the diffusion of Si through the interaction layer, as observed on the elementary concentration profiles, when the third element X has some solubility into γ(U,Mo) alloy.

A modelling study of the inter-diffusion layer formation in U-Mo/Al dispersion fuel plates at high power

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

Ye, B.; Hofman, G. L.; Leenaers, A.

Post irradiation examinations of full-size U-Mo/Al dispersion fuel plates fabricated with ZrN- or Sicoated U-Mo particles revealed that the reaction rate of irradiation-induced U-Mo-Al inter-diffusion, an important microstructural change impacting the performance of this type of fuel, is temperature and fission-rate dependent. In order to simulate the U-Mo/Al inter-diffusion layer (IL) growth behavior in full-size dispersion fuel plates, the existing IL growth correlation was modified with a temperaturedependent multiplication factor that transits around a threshold fission rate. In-pile irradiation data from four tests in the BR2 reactors, including FUTURE, E-FUTURE, SELEMIUM, and SELEMIUM-1a, were utilized to determine and validate themore » updated IL growth correlation. Irradiation behavior of the plates was simulated with the DART-2D computational code. The general agreement between the calculated and measured fuel meat swelling and constituent volume fractions as a function of fission density demonstrated the plausibility of the updated IL growth correlation. The simulation results also suggested the temperature dependence of the IL growth rate, similar to the temperature dependence of the intermixing rate in ion-irradiated bi-layer systems.« less

Minimization of material inter-diffusion for thermally stable quaternary-capped InAs quantum dot via strain modification

NASA Astrophysics Data System (ADS)

Ghadi, Hemant; Sehara, Navneet; Murkute, Punam; Chakrabarti, Subhananda

2017-05-01

In this study, a theoretical model is developed for investigating the effect of thermal annealing on a single-layer quaternary-capped (In0.21Al0.21Ga0.58As) InAs quantum dot heterostructure (sample A) and compared to a conventional GaAs-capped sample (sample B). Strain, an interfacial property, aids in dot formation; however, it hinders interdiffusion (up to 650 °C), rendering thermal stability to heterostructures. Three diffusing species In/Al/Ga intermix because of the concentration gradient and temperature variation, which is modeled by Fick's law of diffusion. Ground-state energy for both carriers (electron and holes) is calculated by the Schrodinger equation at different annealing temperatures, incorporating strain computed by the concentration-dependent model. Change in activation energy due to strain decreases particle movement, thereby resulting in thermally stable structures at low annealing temperatures. At low temperature, the conduction band near the dot edge slightly decreases, attributed to the comparatively high strain. Calculated results are consistent with the experimental blue-shift i.e. towards lower wavelength of photoluminescence peak on the same sample with increasing annealing temperatures. Cross-sectional transmission microscopy (TEM) images substantiate the existence of dot till 800 °C for sample (A). With increasing annealing temperature, interdiffusion and dot sublimation are observed in XTEM images of samples A and B. Strain calculated from high-resolution X-ray diffraction (HRXRD) peaks and its decline with increasing temperature are in agreement with that calculated by the model. For highlighting the benefits of quaternary capping, InAlGaAs capping is theoretically and experimentally compared to GaAs capping. Concentration-dependent strain energy is calculated at every point and is further used for computing material interdiffusion, band profiles, and photoluminescence peak wavelength, which can provide better insights into strain energy behavior with temperature and help in the better understanding of thermal annealing.

Interfacial sharpness and intermixing in a Ge-SiGe multiple quantum well structure

NASA Astrophysics Data System (ADS)

Bashir, A.; Gallacher, K.; Millar, R. W.; Paul, D. J.; Ballabio, A.; Frigerio, J.; Isella, G.; Kriegner, D.; Ortolani, M.; Barthel, J.; MacLaren, I.

2018-01-01

A Ge-SiGe multiple quantum well structure created by low energy plasma enhanced chemical vapour deposition, with nominal well thickness of 5.4 nm separated by 3.6 nm SiGe spacers, is analysed quantitatively using scanning transmission electron microscopy. Both high angle annular dark field imaging and electron energy loss spectroscopy show that the interfaces are not completely sharp, suggesting that there is some intermixing of Si and Ge at each interface. Two methods are compared for the quantification of the spectroscopy datasets: a self-consistent approach that calculates binary substitutional trends without requiring experimental or computational k-factors from elsewhere and a standards-based cross sectional calculation. Whilst the cross section approach is shown to be ultimately more reliable, the self-consistent approach provides surprisingly good results. It is found that the Ge quantum wells are actually about 95% Ge and that the spacers, whilst apparently peaking at about 35% Si, contain significant interdiffused Ge at each side. This result is shown to be not just an artefact of electron beam spreading in the sample, but mostly arising from a real chemical interdiffusion resulting from the growth. Similar results are found by use of X-ray diffraction from a similar area of the sample. Putting the results together suggests a real interdiffusion with a standard deviation of about 0.87 nm, or put another way—a true width defined from 10%-90% of the compositional gradient of about 2.9 nm. This suggests an intrinsic limit on how sharp such interfaces can be grown by this method and, whilst 95% Ge quantum wells (QWs) still behave well enough to have good properties, any attempt to grow thinner QWs would require modifications to the growth procedure to reduce this interdiffusion, in order to maintain a composition of ≥95% Ge.

The Regular Interaction Pattern among Odorants of the Same Type and Its Application in Odor Intensity Assessment.

PubMed

Yan, Luchun; Liu, Jiemin; Jiang, Shen; Wu, Chuandong; Gao, Kewei

2017-07-13

The olfactory evaluation function (e.g., odor intensity rating) of e-nose is always one of the most challenging issues in researches about odor pollution monitoring. But odor is normally produced by a set of stimuli, and odor interactions among constituents significantly influenced their mixture's odor intensity. This study investigated the odor interaction principle in odor mixtures of aldehydes and esters, respectively. Then, a modified vector model (MVM) was proposed and it successfully demonstrated the similarity of the odor interaction pattern among odorants of the same type. Based on the regular interaction pattern, unlike a determined empirical model only fit for a specific odor mixture in conventional approaches, the MVM distinctly simplified the odor intensity prediction of odor mixtures. Furthermore, the MVM also provided a way of directly converting constituents' chemical concentrations to their mixture's odor intensity. By combining the MVM with usual data-processing algorithm of e-nose, a new e-nose system was established for an odor intensity rating. Compared with instrumental analysis and human assessor, it exhibited accuracy well in both quantitative analysis (Pearson correlation coefficient was 0.999 for individual aldehydes ( n = 12), 0.996 for their binary mixtures ( n = 36) and 0.990 for their ternary mixtures ( n = 60)) and odor intensity assessment (Pearson correlation coefficient was 0.980 for individual aldehydes ( n = 15), 0.973 for their binary mixtures ( n = 24), and 0.888 for their ternary mixtures ( n = 25)). Thus, the observed regular interaction pattern is considered an important foundation for accelerating extensive application of olfactory evaluation in odor pollution monitoring.

The Linear Mixing Approximation for Planetary Ices

NASA Astrophysics Data System (ADS)

Bethkenhagen, M.; Meyer, E. R.; Hamel, S.; Nettelmann, N.; French, M.; Scheibe, L.; Ticknor, C.; Collins, L. A.; Kress, J. D.; Fortney, J. J.; Redmer, R.

2017-12-01

We investigate the validity of the widely used linear mixing approximation for the equations of state (EOS) of planetary ices, which are thought to dominate the interior of the ice giant planets Uranus and Neptune. For that purpose we perform density functional theory molecular dynamics simulations using the VASP code.[1] In particular, we compute 1:1 binary mixtures of water, ammonia, and methane, as well as their 2:1:4 ternary mixture at pressure-temperature conditions typical for the interior of Uranus and Neptune.[2,3] In addition, a new ab initio EOS for methane is presented. The linear mixing approximation is verified for the conditions present inside Uranus ranging up to 10 Mbar based on the comprehensive EOS data set. We also calculate the diffusion coefficients for the ternary mixture along different Uranus interior profiles and compare them to the values of the pure compounds. We find that deviations of the linear mixing approximation from the real mixture are generally small; for the EOS they fall within about 4% uncertainty while the diffusion coefficients deviate up to 20% . The EOS of planetary ices are applied to adiabatic models of Uranus. It turns out that a deep interior of almost pure ices is consistent with the gravity field data, in which case the planet becomes rather cold (T core ˜ 4000 K). [1] G. Kresse and J. Hafner, Physical Review B 47, 558 (1993). [2] R. Redmer, T.R. Mattsson, N. Nettelmann and M. French, Icarus 211, 798 (2011). [3] N. Nettelmann, K. Wang, J. J. Fortney, S. Hamel, S. Yellamilli, M. Bethkenhagen and R. Redmer, Icarus 275, 107 (2016).

In situ molecular elucidation of drug supersaturation achieved by nano-sizing and amorphization of poorly water-soluble drug.

PubMed

Ueda, Keisuke; Higashi, Kenjirou; Yamamoto, Keiji; Moribe, Kunikazu

2015-09-18

Quantitative evaluation of drug supersaturation and nanoparticle formation was conducted using in situ evaluation techniques, including nuclear magnetic resonance (NMR) spectroscopy. We prepared a ternary complex of carbamazepine (CBZ) with hydroxypropyl methylcellulose (HPMC) and sodium dodecyl sulfate (SDS) to improve the drug concentration. Different preparation methods, including grinding and spray drying, were performed to prepare the ternary component products, ground mixture (GM) and spray-dried sample (SD), respectively. Although CBZ was completely amorphized in the ternary SD, CBZ was partially amorphized with the remaining CBZ crystals in the ternary GM. Aqueous dispersion of the ternary GM formed nanoparticles of around 150 nm, originating from the CBZ crystals in the ternary GM. In contrast, the ternary SD formed transparent solutions without a precipitate. The molecular-level evaluation using NMR measurements revealed that approximately half a dose of CBZ in the ternary GM dispersion was present as nanoparticles; however, CBZ in the ternary SD was completely dissolved in the aqueous solution. The characteristic difference between the solid states, followed by different preparation methods, induced different solution characteristics in the ternary GM and SD. The permeation study, using a dialysis membrane, showed that the CBZ concentration dissolved in the bulk water phase rapidly reduced in the ternary SD dispersion compared to the ternary GM dispersion; this demonstrated the advantage of ternary GM dispersion in the maintenance of CBZ supersaturation. Long-term maintenance of a supersaturated state of CBZ observed in the ternary GM dispersion rather than in the ternary SD dispersion was achieved by the inhibition of CBZ crystallization owing to the existence of CBZ nanoparticles in the ternary GM dispersion. Nanoparticle formation, combined with drug amorphization, could be a promising approach to improve drug concentrations. The detailed elucidation of solution characteristics using in situ evaluation techniques will lead to the formation of useful solid dispersion and nanoparticle formulations, resulting in improved drug absorption. Copyright © 2015 Elsevier B.V. All rights reserved.

Thermodynamic properties and solidification kinetics of intermetallic Ni{sub 7}Zr{sub 2} alloy investigated by electrostatic levitation technique and theoretical calculations

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

Li, L. H.; Hu, L.; Yang, S. J.

2016-01-21

The thermodynamic properties, including the density, volume expansion coefficient, ratio of specific heat to emissivity of intermetallic Ni{sub 7}Zr{sub 2} alloy, have been measured using the non-contact electrostatic levitation technique. These properties vary linearly with temperature at solid and liquid states, even down to the obtained maximum undercooling of 317 K. The enthalpy, glass transition, diffusion coefficient, shear viscosity, and surface tension were obtained by using molecular dynamics simulations. Ni{sub 7}Zr{sub 2} has a relatively poor glass forming ability, and the glass transition temperature is determined as 1026 K. The inter-diffusivity of Ni{sub 7}Zr{sub 2} alloy fitted by Vogel–Fulcher–Tammann law yields amore » fragility parameter of 8.49, which indicates the fragile nature of this alloy. Due to the competition of increased thermodynamic driving force and decreased atomic diffusion, the dendrite growth velocity of Ni{sub 7}Zr{sub 2} compound exhibits double-exponential relationship to the undercooling. The maximum growth velocity is predicted to be 0.45 m s{sup −1} at the undercooling of 335 K. Theoretical analysis reveals that the dendrite growth is a diffusion-controlled process and the atomic diffusion speed is only 2.0 m s{sup −1}.« less

Evaluation of the efficiency of continuous wavelet transform as processing and preprocessing algorithm for resolution of overlapped signals in univariate and multivariate regression analyses; an application to ternary and quaternary mixtures.

PubMed

Hegazy, Maha A; Lotfy, Hayam M; Mowaka, Shereen; Mohamed, Ekram Hany

2016-07-05

Wavelets have been adapted for a vast number of signal-processing applications due to the amount of information that can be extracted from a signal. In this work, a comparative study on the efficiency of continuous wavelet transform (CWT) as a signal processing tool in univariate regression and a pre-processing tool in multivariate analysis using partial least square (CWT-PLS) was conducted. These were applied to complex spectral signals of ternary and quaternary mixtures. CWT-PLS method succeeded in the simultaneous determination of a quaternary mixture of drotaverine (DRO), caffeine (CAF), paracetamol (PAR) and p-aminophenol (PAP, the major impurity of paracetamol). While, the univariate CWT failed to simultaneously determine the quaternary mixture components and was able to determine only PAR and PAP, the ternary mixtures of DRO, CAF, and PAR and CAF, PAR, and PAP. During the calculations of CWT, different wavelet families were tested. The univariate CWT method was validated according to the ICH guidelines. While for the development of the CWT-PLS model a calibration set was prepared by means of an orthogonal experimental design and their absorption spectra were recorded and processed by CWT. The CWT-PLS model was constructed by regression between the wavelet coefficients and concentration matrices and validation was performed by both cross validation and external validation sets. Both methods were successfully applied for determination of the studied drugs in pharmaceutical formulations. Copyright © 2016 Elsevier B.V. All rights reserved.

Many-body design of highly strained GaInNAs electroabsorption modulators on GaInAs ternary substrates

NASA Astrophysics Data System (ADS)

Fujisawa, Takeshi; Arai, Masakazu; Kano, Fumiyoshi

2010-05-01

Electroabsorption in highly strained GaInAs and GaInNAs quantum wells (QWs) grown on GaInAs or quasi-GaInAs substrates is investigated by using microscopic many-body theory. The effects of various parameters, such as strain, barrier height, substrate composition, and temperature are thoroughly examined. It is shown that the value of the absorption coefficient strongly depends on the depth of the QWs under large bias electric field due to the small overlap integral of wave functions between the conduction and valence bands. The use of GaInNAs QWs makes the strain in the well layer very small. Further, the effective quantum-well depth is increased in GaInNAs QWs due to the anticrossing interaction between the conduction and N-resonant bands, making it possible to obtain larger absorption coefficient under large bias electric fields without using wide-band gap materials for barriers.

Water-enhanced solvation of organic solutes in ketone and ester solvents

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

Lee, J.H.; Brunt, V. van; King, C.J.

1994-05-01

Previous research has shown that the solubilities of dicarboxylic acids in certain electron-donor solvents are substantially increased in the presence of water. Information on solubilities, liquid-liquid equilibria and maximum-boiling ternary azeotropes was screened so as to identify other systems where codissolved water appears to enhance solvation of organic solutes in solvents. Several carboxylic acids, an alcohol, diols, and phenols were selected for examination as solutes in ketone and ester solvents. Effects of water upon solute solubilities and volatilities were measured. Results showed that water-enhanced solvation is greatest for carboxylic acids. Solute activity coefficients decreased by factors of 2--3, 6--8, andmore » 7--10 due to the presence of water for mono-, di and tricarboxylic acids, respectively. Activity coefficients decreased by a factor of about 1.5 for ethanol and 1,2-propanediol as solutes. Water-enhanced solvation of phenols is small, when existent.« less

Heat storage in alloy transformations

NASA Technical Reports Server (NTRS)

Birchenall, C. E.; Gueceri, S. I.; Farkas, D.; Labdon, M. B.; Nagaswami, N.; Pregger, B.

1981-01-01

The feasibility of using metal alloys as thermal energy storage media was determined. The following major elements were studied: (1) identification of congruently transforming alloys and thermochemical property measurements; (2) development of a precise and convenient method for measuring volume change during phase transformation and thermal expansion coefficients; (3) development of a numerical modeling routine for calculating heat flow in cylindrical heat exchangers containing phase change materials; and (4) identification of materials that could be used to contain the metal alloys. Several eutectic alloys and ternary intermetallic phases were determined. A method employing X-ray absorption techniques was developed to determine the coefficients of thermal expansion of both the solid and liquid phases and the volume change during phase transformation from data obtained during one continuous experimental test. The method and apparatus are discussed and the experimental results are presented. The development of the numerical modeling method is presented and results are discussed for both salt and metal alloy phase change media.

The effect of silicon on the oxidation behavior of NiAlHf coating system

NASA Astrophysics Data System (ADS)

Dai, Pengchao; Wu, Qiong; Ma, Yue; Li, Shusuo; Gong, Shengkai

2013-04-01

Two types of NiAlHf coatings doped with different content of Si (1 at.% and 2 at.%) were deposited on a Ni3Al based single crystal superalloy IC32 by electron beam physical vapor deposition (EB-PVD) method, respectively. For comparison, NiAlHf coating with 0 at.% Si was also prepared. The oxidation tests were carried out at 1423 K in air. At the initial stage of oxidation, large amount of flake-like θ-Al2O3 was found on NiAlHf coating surface. However, no θ-Al2O3 was observed in 2 at.% Si doped NiAlHf coating except α-Al2O3. It revealed that the Si additions could contribute to the transformation from θ-Al2O3 to α-Al2O3. When oxidation time prolonged to 100 h, it was found that the degradation of NiAlHf coating was very severe with no residual β-phase, which was due to the serious inter-diffusion between the coating and substrate. In contrast, the inter-diffusion in Si-doped coating was reduced with some residual β-phase and R-Ni(Mo, Re) precipitates. The presence of Si could retard the inter-diffusion of elements between coating and substrate, indicating a barrier diffusion effect. As a result, the oxidation resistance of NiAlHf coating was improved significantly.

Interdiffusion effect on strained La0.8Ba0.2MnO3 thin films by off-axis sputtering on SrTiO3 (100) substrates

NASA Astrophysics Data System (ADS)

Chou, Hsiung; Hsu, S. G.; Lin, C. B.; Wu, C. B.

2007-02-01

Strained La0.8Ba0.2MnO3 thin films on SrTiO3 (100) substrate are grown by an off-axis sputtering technique. It is found that the ferromagnetic temperature TC increases for thinner films. Secondary ion mass spectroscopy indicates that Sr diffuses partially into the film, making it structurally nonuniform. The region close to the film/substrate interface acts as La1-x(SryBa1-y)xMnO3 with a near negligible y for the as grown film and a non-negligible amount of y for the high-temperature postannealed film. The enhancement of TC is attributed to the combination of the strain and interdiffusion effects.

Study of surfactant mediated growth of Ni/V superlattices

NASA Astrophysics Data System (ADS)

Amir, S. M.; Gupta, Mukul; Potdar, Satish; Gupta, Ajay; Stahn, Jochen

2013-07-01

The Ni/V multilayers are useful as soft x-ray mirrors, polarizers, and phase retarders. For these applications, it is necessary that the interfaces roughness and interdiffusion must be as small as possible. The V-on-Ni and Ni-on-V interfaces are asymmetric due to the difference in the surface free energy of Ni and V. In this work, we report Ag surfactant mediated growth of Ni/V superlattices prepared using ion beam sputter deposition technique. These superlattices were studied using x-ray and neutron scattering techniques. It was found that when added in an optimum amount, Ag surfactant results in reduced interface roughness and interdiffusion across the interfaces. Obtained results can be understood with the surfactant floating-off mechanism leading to a balance in the surface free energy of Ni and V.

Single-source precursors for ternary chalcopyrite materials, and methods of making and using the same

NASA Technical Reports Server (NTRS)

Banger, Kulbinder K. (Inventor); Hepp, Aloysius F. (Inventor); Harris, Jerry D. (Inventor); Jin, Michael Hyun-Chul (Inventor); Castro, Stephanie L. (Inventor)

2006-01-01

A single source precursor for depositing ternary I-III-VI.sub.2 chalcopyrite materials useful as semiconductors. The single source precursor has the I-III-VI.sub.2 stoichiometry built into a single precursor molecular structure which degrades on heating or pyrolysis to yield the desired I-III-VI.sub.2 ternary chalcopyrite. The single source precursors effectively degrade to yield the ternary chalcopyrite at low temperature, e.g. below 500.degree. C., and are useful to deposit thin film ternary chalcopyrite layers via a spray CVD technique. The ternary single source precursors according to the invention can be used to provide nanocrystallite structures useful as quantum dots. A method of making the ternary single source precursors is also provided.

Low-temperature lithium diffusion in simulated high-level boroaluminosilicate nuclear waste glasses

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

Neeway, James J.; Kerisit, Sebastien N.; Gin, Stephane

2014-12-01

Ion exchange is recognized as an integral, if underrepresented, mechanism influencing glass corrosion. However, due to the formation of various alteration layers in the presence of water, it is difficult to conclusively deconvolute the mechanisms of ion exchange from other processes occurring simultaneously during corrosion. In this work, an operationally inert non-aqueous solution was used as an alkali source material to isolate ion exchange and study the solid-state diffusion of lithium. Specifically, the experiments involved contacting glass coupons relevant to the immobilization of high-level nuclear waste, SON68 and CJ-6, which contained Li in natural isotope abundance, with a non-aqueous solutionmore » of 6LiCl dissolved in dimethyl sulfoxide at 90 °C for various time periods. The depth profiles of major elements in the glass coupons were measured using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Lithium interdiffusion coefficients, D Li, were then calculated based on the measured depth profiles. The results indicate that the penetration of 6Li is rapid in both glasses with the simplified CJ-6 glass (D 6Li ≈ 4.0-8.0 × 10 -21 m 2/s) exhibiting faster exchange than the more complex SON68 glass (D Li ≈ 2.0-4.0 × 10 -21 m 2/s). Additionally, sodium ions present in the glass were observed to participate in ion exchange reactions; however, different diffusion coefficients were necessary to fit the diffusion profiles of the two alkali ions. Implications of the diffusion coefficients obtained in the absence of alteration layers to the long-term performance of nuclear waste glasses in a geological repository system are also discussed.« less

An analytical solubility model for nitrogen-methane-ethane ternary mixtures

NASA Astrophysics Data System (ADS)

Hartwig, Jason; Meyerhofer, Peter; Lorenz, Ralph; Lemmon, Eric

2018-01-01

Saturn's moon Titan has surface liquids of liquid hydrocarbons and a thick, cold, nitrogen atmosphere, and is a target for future exploration. Critical to the design and operation of vehicles for this environment is knowledge of the amount of dissolved nitrogen gas within the cryogenic liquid methane and ethane seas. This paper rigorously reviews experimental data on the vapor-liquid equilibrium of nitrogen/methane/ethane mixtures, noting the possibility for split liquid phases, and presents simple analytical models for conveniently predicting solubility of nitrogen in pure liquid ethane, pure liquid methane, and a mixture of liquid ethane and methane. Model coefficients are fit to three temperature ranges near the critical point, intermediate range, and near the freezing point to permit accurate predictions across the full range of thermodynamic conditions. The models are validated against the consolidated database of 2356 experimental data points, with mean absolute error between data and model less than 8% for both binary nitrogen/methane and nitrogen/ethane systems, and less than 17% for the ternary nitrogen/methane/ethane system. The model can be used to predict the mole fractions of ethane, methane, and nitrogen as a function of location within the Titan seas.

Physicochemical Properties of α-Form Hydrated Crystalline Phase of 3-(10-Carboxydecyl)-1,1,1,3,5,5,5-heptamethyl Trisiloxane/Higher alcohol/Polyoxyethylene (5 mol) Glyceryl monostearate/Water System.

PubMed

Uyama, Makoto; Araki, Hidefumi; Fukuhara, Tadao; Watanabe, Kei

2018-06-07

The α-form hydrated crystalline phase (often called as an α-gel) is one of the hydrated crystalline phases which can be exhibited by surfactants and lipids. In this study, a novel system of an α-form hydrated crystal was developed, composed of 3-(10-carboxydecyl)-1,1,1,3,5,5,5-heptamethyl trisiloxane (CDTS), polyoxyethylene (5 mol) glyceryl monostearate (GMS-5), higher alcohol. This is the first report to indicate that a silicone surfactant can form an α-form hydrated crystal. The physicochemical properties of this system were characterized by small and wide angle X-ray scattering (SWAXS), differential scanning calorimetry (DSC), and diffusion-ordered NMR spectroscopy (DOSY) experiments. SWAXS and DSC measurements revealed that a plurality of crystalline phases coexist in the CDTS/higher alcohol/water ternary system. By adding GMS-5 to the ternary system, however, a wide region of a single α-form hydrated crystalline phase was obtained. The self-diffusion coefficients (D sel ) from the NMR measurements suggested that all of the CDTS, GMS-5, and higher alcohol molecules were incorporated into the same α-form hydrated crystals.

Determination of Iodate in Food, Environmental, and Biological Samples after Solid-Phase Extraction with Ni-Al-Zr Ternary Layered Double Hydroxide as a Nanosorbent

PubMed Central

Abdolmohammad-Zadeh, Hossein; Tavarid, Keyvan; Talleb, Zeynab

2012-01-01

Nanostructured nickel-aluminum-zirconium ternary layered double hydroxide was successfully applied as a solid-phase extraction sorbent for the separation and pre-concentration of trace levels of iodate in food, environmental and biological samples. An indirect method was used for monitoring of the extracted iodate ions. The method is based on the reaction of the iodate with iodide in acidic solution to produce iodine, which can be spectrophotometrically monitored at 352 nm. The absorbance is directly proportional to the concentration of iodate in the sample. The effect of several parameters such as pH, sample flow rate, amount of nanosorbent, elution conditions, sample volume, and coexisting ions on the recovery was investigated. In the optimum experimental conditions, the limit of detection (3s) and enrichment factor were 0.12 μg mL−1 and 20, respectively. The calibration graph using the preconcentration system was linear in the range of 0.2–2.8 μg mL−1 with a correlation coefficient of 0.998. In order to validate the presented method, a certified reference material, NIST SRM 1549, was also analyzed. PMID:22619590

Optical and semiconductive properties of binary and ternary thin films from the Nb-Ti-O system

NASA Astrophysics Data System (ADS)

Aperador, W.; Yate, L.; Pinzón, M. J.; Caicedo, J. C.

2018-06-01

A study has been conducted based on the Mott-Schottky model acquisition by potentiodynamic electrochemical impedance spectroscopy, to determine the physical-chemical properties of binary TiO2, Nb2O5 and ternary Nb-Ti-O thin films (semiconductor type) based on Nb,Ti, O elements. The technique used for the study of optical properties was that of spectral transmittance, measurements were performed using a spectrophotometer. The consistency of the impedance data has been studied by calculating the Kramers-Kronig relations. The structural properties were analyzed by XRD patterns; the chemical composition measurements for all thin films were made by using XPS technique. So, in this research the transmittance values change from 72.74% for Nb2O5 to 59.68% for Ti-Nb-O with wavelength around 355 nm. The absorption coefficients for all films were analyzed from 31823.87 cm-1 for Nb2O5 to 91240.90 cm-1 for Nb-Ti-O with wavelength around 355 nm evidencing thus a 65% reduction. The direct band gap it was found that the photon energy (band gap Eg) changes in all films from 3.56 eV for Nb2O5 to 3.96 eV for Ti-Nb-O evidencing a 10% reduction. The extinction coefficient values change in all films from 0.038 cm-1 for Nb2O5 to 0.277 cm-1 for Ti-Nb-O films with wavelength around 355 nm, exhibiting an 86% increasing. Finally, it was observed by the Mott-Schottky analysis that the reference potential (Ag/AgCl) changes for all films from -2.09 V for Nb2O5 to -0.80 V for Ti-Nb-O material showing a 62% reduction.

On the design of experiments for determining ternary mixture free energies from static light scattering data using a nonlinear partial differential equation

PubMed Central

Wahle, Chris W.; Ross, David S.; Thurston, George M.

2012-01-01

We mathematically design sets of static light scattering experiments to provide for model-independent measurements of ternary liquid mixing free energies to a desired level of accuracy. A parabolic partial differential equation (PDE), linearized from the full nonlinear PDE [D. Ross, G. Thurston, and C. Lutzer, J. Chem. Phys. 129, 064106 (2008)10.1063/1.2937902], describes how data noise affects the free energies to be inferred. The linearized PDE creates a net of spacelike characteristic curves and orthogonal, timelike curves in the composition triangle, and this net governs diffusion of information coming from light scattering measurements to the free energy. Free energy perturbations induced by a light scattering perturbation diffuse along the characteristic curves and towards their concave sides, with a diffusivity that is proportional to the local characteristic curvature radius. Consequently, static light scattering can determine mixing free energies in regions with convex characteristic curve boundaries, given suitable boundary data. The dielectric coefficient is a Lyapunov function for the dynamical system whose trajectories are PDE characteristics. Information diffusion is heterogeneous and system-dependent in the composition triangle, since the characteristics depend on molecular interactions and are tangent to liquid-liquid phase separation coexistence loci at critical points. We find scaling relations that link free energy accuracy, total measurement time, the number of samples, and the interpolation method, and identify the key quantitative tradeoffs between devoting time to measuring more samples, or fewer samples more accurately. For each total measurement time there are optimal sample numbers beyond which more will not improve free energy accuracy. We estimate the degree to which many-point interpolation and optimized measurement concentrations can improve accuracy and save time. For a modest light scattering setup, a sample calculation shows that less than two minutes of measurement time is, in principle, sufficient to determine the dimensionless mixing free energy of a non-associating ternary mixture to within an integrated error norm of 0.003. These findings establish a quantitative framework for designing light scattering experiments to determine the Gibbs free energy of ternary liquid mixtures. PMID:22830693

Nondestructive Investigation of Heterojunction Interfacial Properties Using Two-Wavelength Raman Spectroscopy on Thin-Film CdS/CdTe Solar Cells.

PubMed

Zeng, Guanggen; Harrison, Paul; Kidman, Ali; Al-Mebir, Alaa; Feng, Lianghuan; Wu, Judy

2016-09-01

Raman spectra specific to CdS and CdTe were obtained on the CdS/CdTe heterojunction interface by employing two excitation wavelengths of λ1 = 488 nm and λ2 = 633 nm, respectively, from the glass side of Glass/FTO/CdS/CdTe/HgTe:Cu:graphite/Ag solar cells fabricated using pulsed-laser deposition (PLD). This two-wavelength Raman spectroscopy approach, with one wavelength selected below the absorption edge of the window layer (λ2 in this case), allows nondestructive characterization of the CdS/CdTe heterojunction and therefore correlation of the interfacial properties with the solar cell performance. In this study, the evolution of the interfacial strain relaxation during cell fabrication process was found to be affected not only by the inter-diffusion of S and Te corresponding to the formation of CdSxTe1-x ternary alloy with a various x from ∼0.01 to ∼0.067, but also by the variation in misfit dislocations (MDs) at CdS/CdTe interface from Raman TO/LO ratio ∼2.85 for as-deposited sample to TO/LO ∼4.44 for the cells post treatment. This is consistent with the change of the Urbach energy from 0.03 eV to 0.09 eV, indicative of the deterioration of crystalline quality of CdTe at interface although improved CdTe crystalline quality was observed away from the interface after the CdCl2 annealing. This difference crucially impacted on the rectification characteristics of the CdS/CdTe heterojunction and therefore the solar cell performance. © The Author(s) 2016.

Evaluation of ternary blended cements for use in transportation concrete structures

NASA Astrophysics Data System (ADS)

Gilliland, Amanda Louise

This thesis investigates the use of ternary blended cement concrete mixtures for transportation structures. The study documents technical properties of three concrete mixtures used in federally funded transportation projects in Utah, Kansas, and Michigan that used ternary blended cement concrete mixtures. Data were also collected from laboratory trial batches of ternary blended cement concrete mixtures with mixture designs similar to those of the field projects. The study presents the technical, economic, and environmental advantages of ternary blended cement mixtures. Different barriers of implementation for using ternary blended cement concrete mixtures in transportation projects are addressed. It was concluded that there are no technical, economic, or environmental barriers that exist when using most ternary blended cement concrete mixtures. The technical performance of the ternary blended concrete mixtures that were studied was always better than ordinary portland cement concrete mixtures. The ternary blended cements showed increased durability against chloride ion penetration, alkali silica reaction, and reaction to sulfates. These blends also had less linear shrinkage than ordinary portland cement concrete and met all strength requirements. The increased durability would likely reduce life cycle costs associated with concrete pavement and concrete bridge decks. The initial cost of ternary mixtures can be higher or lower than ordinary portland cement, depending on the supplementary cementitious materials used. Ternary blended cement concrete mixtures produce less carbon dioxide emissions than ordinary portland cement mixtures. This reduces the carbon footprint of construction projects. The barriers associated with implementing ternary blended cement concrete for transportation projects are not significant. Supplying fly ash returns any investment costs for the ready mix plant, including silos and other associated equipment. State specifications can make designing ternary blended cements more acceptable by eliminating arbitrary limitations for supplementary cementitious materials (SCMs) use and changing to performance-based standards. Performance-based standards require trial batching of concrete mixture designs, which can be used to optimize ternary combinations of portland cement and SCMs. States should be aware of various SCMs that are appropriate for the project type and its environment.

Traces of ternary relations

NASA Astrophysics Data System (ADS)

Zedam, Lemnaouar; Barkat, Omar; De Baets, Bernard

2018-05-01

In this paper, we generalize the notion of traces of a binary relation to the setting of ternary relations. With a given ternary relation, we associate three binary relations: its left, middle and right trace. As in the binary case, these traces facilitate the study and characterization of properties of a ternary relation. Interestingly, the traces themselves turn out to be the greatest solutions of relational inequalities associated with newly introduced compositions of a ternary relation with a binary relation (and vice versa).

Ternary Blend Composed of Two Organic Donors and One Acceptor for Active Layer of High-Performance Organic Solar Cells.

PubMed

Lee, Jong Won; Choi, Yoon Suk; Ahn, Hyungju; Jo, Won Ho

2016-05-04

Ternary blends composed of two donor absorbers with complementary absorptions provide an opportunity to enhance the short-circuit current and thus the power conversion efficiency (PCE) of organic solar cells. In addition to complementary absorption of two donors, ternary blends may exhibit favorable morphology for high-performance solar cells when one chooses properly the donor pair. For this purpose, we develop a ternary blend with two donors (diketopyrrolopyrrole-based polymer (PTDPP2T) and small molecule ((TDPP)2Ph)) and one acceptor (PC71BM). The solar cell made of a ternary blend with 10 wt % (TDPP)2Ph exhibits higher PCE of 7.49% as compared with the solar cells with binary blends, PTDPP2T:PC71BM (6.58%) and (TDPP)2Ph:PC71BM (3.21%). The higher PCE of the ternary blend solar cell is attributed mainly to complementary absorption of two donors. However, a further increase in (TDPP)2Ph content in the ternary blend (>10 wt %) decreases the PCE. The ternary blend with 10 wt % (TDPP)2Ph exhibits well-developed morphology with narrow-sized fibrils while the blend with 15 wt % (TDPP)2Ph shows phase separation with large-sized domains, demonstrating that the phase morphology and compatibility of ternary blend are important factors to achieve a high-performance solar cell made of ternary blends.

Structural Investigation of Phosphorus in CaO-SiO2-P2O5 Ternary Glass

NASA Astrophysics Data System (ADS)

Wang, Zhanjun; Cai, Shengjia; Zhang, Mei; Guo, Min; Zhang, Zuotai

2017-04-01

The system of CaO-SiO2-P2O5 ternary glass is not only among the major constituents of steelmaking slags in iron and steel industry, but also play a significant role in other industrial process, such as chemical engineering and glass industry. In the present study, the structure of CaO-SiO2-P2O5 ternary glass with varying P2O5 content from 0 to 15 wt pct at a fixed CaO/SiO2 = 1.4 was investigated using molecular dynamics (MD) simulation combined with X-ray photoelectron spectroscopy and Raman spectra techniques. The results indicated that P5+ ions have a higher affinity to Ca2+ ions which are then stripped away from the silicate network with the addition of P2O5, resulting in the formation of Ca-O-P and Si-O-Si linkages. In addition, almost all P5+ ions displayed as {{Q}}_{{P}}0 ( {{Q}}_{{P}}n , n is the number of bridging oxygen in one [PO4]-tetrahedra units) and a small fraction of P5+ ions behave as {{Q}}_{{P}}1 (P-O-P) and P-O-Si. The enhanced degree of polymerization can be detected from the increase of {{X}}_{{Si}}3 and X_{{P}}1 /X_{{P}}0 (mole fraction of {{Q}}_{{Si}}i or {{Q}}_{{P}}i ). Furthermore, the ratio of Raman scattering coefficients for Q_{{Si}}i /Q_{{Si}}1 and Q_{{P}}i /Q_{{P}}1 were determined by combining MD simulated result with Raman spectra, which were considered to be suitable to the present study.

Ternary Interactions and Energy Transfer between Fluorescein Isothiocyanate, Adenosine Triphosphate, and Graphene Oxide Nanocarriers.

PubMed

Ratajczak, Katarzyna; Stobiecka, Magdalena

2017-07-20

The interactions of fluorescent probes and biomolecules with nanocarriers are of key importance to the emerging targeted drug delivery systems. Graphene oxide nanosheets (GONs) as the nanocarriers offer biocompatibility and robust drug binding capacity. The interactions of GONs with fluorophores lead to strong fluorescence quenching, which may interfere with fluorescence bioimaging and biodetection. Herein, we report on the interactions and energy transfers in a model ternary system: GONs-FITC-ATP, where FITC is a model fluorophore (fluorescein isothiocyanate) and ATP is a common biomolecule (adenosine-5'-triphosphate). We have found that FITC fluorescence is considerably quenched by ATP (the quenching constant K SV = 113 ± 22 M -1 ). The temperature coefficient of K SV is positive (α T = 4.15 M -1 deg -1 ). The detailed analysis of a model for internal self-quenching of FITC indicates that the temperature dependence of the net quenching efficiency η for the FITC-ATP pair is dominated by FITC internal self-quenching modes with their contribution estimated at 79%. The quenching of FITC by GONs is much stronger (K SV = 598 ± 29 M -1 ) than that of FITC-ATP and is associated with the formation of supramolecular assemblies bound with hydrogen bonding and π-π stacking interactions. For the analysis of the complex behavior of the ternary system GONs-FITC-ATP, a model of chemisorption of ATP on GONs, with partial blocking of FITC quenching, has been developed. Our results indicate that ATP acts as a moderator for FITC quenching by GONs. The interactions between ATP, FITC, and GONs have been corroborated using molecular dynamics and quantum mechanical calculations.

Determination of sulfonamides in swine muscle after salting-out assisted liquid extraction with acetonitrile coupled with back-extraction by a water/acetonitrile/dichloromethane ternary component system prior to high-performance liquid chromatography.

PubMed

Tsai, Wen-Hsien; Huang, Tzou-Chi; Chen, Ho-Hsien; Wu, Yuh-Wern; Huang, Joh-Jong; Chuang, Hung-Yi

2010-01-15

A salting-out assisted liquid extraction coupled with back-extraction by a water/acetonitrile/dichloromethane ternary component system combined with high-performance liquid chromatography with diode-array detection (HPLC-DAD) was developed for the extraction and determination of sulfonamides in solid tissue samples. After the homogenization of the swine muscle with acetonitrile and salt-promoted partitioning, an aliquot of 1 mL of the acetonitrile extract containing a small amount of dichloromethane (250-400 microL) was alkalinized with diethylamine. The clear organic extract obtained by centrifugation was used as a donor phase and then a small amount of water (40-55 microL) could be used as an acceptor phase to back-extract the analytes in the water/acetonitrile/dichloromethane ternary component system. In the back-extraction procedure, after mixing and centrifuging, the sedimented phase would be water and could be withdrawn easily into a microsyringe and directly injected into the HPLC system. Under the optimal conditions, recoveries were determined for swine muscle fortified at 10 ng/g and quantification was achieved by matrix-matched calibration. The calibration curves of five sulfonamides showed linearity with the coefficient of estimation above 0.998. Relative recoveries for the analytes were all from 96.5 to 109.2% with relative standard deviation of 2.7-4.0%. Preconcentration factors ranged from 16.8 to 30.6 for 1 mL of the acetonitrile extract. Limits of detection ranged from 0.2 to 1.0 ng/g. 2009 Elsevier B.V. All rights reserved.

Biodegradable polymer based ternary blends for removal of trace metals from simulated industrial wastewater.

PubMed

Prakash, N; Arungalai Vendan, S

2016-02-01

The ternary blends consisting of Chitosan (CS), Nylon 6 (Ny 6) and Montmorillonite clay (MM clay) were prepared by the solution blending method with glutaraldehyde. The prepared ternary blends were characterization by Fourier transform infrared spectroscopy (FTIR), X-ray diffraction (XRD), Thermo gravimetric analysis (TGA), Differential scanning calorimetry (DSC) and Scanning electron microscope (SEM). The FTIR results showed that the strong intermolecular hydrogen bondings were established between chitosan, nylon 6 and montmorillonite clay. TGA showed the thermal stability of the blend is enhanced by glutaraldehyde as Crosslink agent. Results of XRD indicated that the relative crystalline of the pure chitosan film was reduced when the polymeric network was reticulated by glutaraldehyde. Finally, the results of scanning electron microscopy (SEM) indicated that the morphology of the blend was rough and heterogenous. Further, it confirms the interaction between the functional groups of the blend components. The extent of removal of the trace metals was found to be almost the same. The removal of these metals at different pH was also done and the maximum removal of the metals was observed at pH 4.5 for both trace metals. Adsorption studies and kinetic analysis have also been made. Moreover, the protonation of amine groups is induced an electrostatic repulsion of cations. When the pH of the solution was more than 5.5, the sorption rate began to decrease. Besides, the quantity of adsorbate on absorbent was fitted as a function in Langmuir and Freundlich isotherm. The sorption kinetics was tested for pseudo first order and pseudo second order reaction. The kinetic experimental data correlated with the second order kinetic model and rate constants of sorption for kinetic models were calculated and accordingly, the correlation coefficients were obtained. Copyright © 2016. Published by Elsevier B.V.

Solid-state diffusion-controlled growth of the phases in the Au-Sn system

NASA Astrophysics Data System (ADS)

Baheti, Varun A.; Kashyap, Sanjay; Kumar, Praveen; Chattopadhyay, Kamanio; Paul, Aloke

2018-01-01

The solid state diffusion-controlled growth of the phases is studied for the Au-Sn system in the range of room temperature to 200 °C using bulk and electroplated diffusion couples. The number of product phases in the interdiffusion zone decreases with the decrease in annealing temperature. These phases grow with significantly high rates even at the room temperature. The growth rate of the AuSn4 phase is observed to be higher in the case of electroplated diffusion couple because of the relatively small grains and hence high contribution of the grain boundary diffusion when compared to the bulk diffusion couple. The diffraction pattern analysis indicates the same equilibrium crystal structure of the phases in these two types of diffusion couples. The analysis in the AuSn4 phase relating the estimated tracer diffusion coefficients with grain size, crystal structure, the homologous temperature of experiments and the concept of the sublattice diffusion mechanism in the intermetallic compounds indicate that Au diffuses mainly via the grain boundaries, whereas Sn diffuses via both the grain boundaries and the lattice.

Effect of V2O5 on SrO-ZnO-B2O3-SiO2 glass-ceramics for high temperature sealant application

NASA Astrophysics Data System (ADS)

Tiwari, Babita; Bhatacharya, S.; Dixit, A.; Gadkari, S. C.; Kothiyal, G. P.

2012-06-01

Glasses in the SrO-ZnO-B2O3-SiO2 (SZBS) system with and without V2O5 were prepared by melt-quench method and transformed into glass-ceramics by controlled crystallization. Investigated glasses and glass-ceramics have thermal expansion coefficients (TEC) in the range of 95-120 × 10-7/°C (30-600 °C), which match closely with TEC of other components of solid oxide fuel cell (SOFC). Study of thermo-physical properties of SZBS glasses revealed the network modifying effect of V2O5. Addition of V2O5 increases the TEC and decreases the viscosity of the glass which is beneficial for making seal with Crofer-22-APU. Microstructural investigations have shown good bonding of SZBS glasses with Crofer-22-APU. Elemental line scans indicate that inter-diffusion of Fe, Cr and Si across interface, which is thought to be responsible for good bonding with Crofer-22-APU.

Diffusion phenomenon at the interface of Cu-brass under a strong gravitational field

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

Ogata, Yudai; Tokuda, Makoto; Januszko, Kamila

2015-03-28

To investigate diffusion phenomenon at the interface between Cu and brass under a strong gravitational field generated by ultracentrifuge apparatus, we performed gravity experiments on samples prepared by electroplating with interfaces normal and parallel to the direction of gravity. For the parallel-mode sample, for which sedimentation cannot occur thorough the interface, the concentration change was significant within the lower gravity region; many pores were observed in this region. Many vacancies arising from crystal strain due to the strong gravitational field moved into the lower gravity region, and enhanced the atoms mobilities. For the two normal-mode samples, which have interface normalmore » to the direction of gravity, the composition gradient of the brass-on-Cu sample was steeper than that for Cu-on-brass. This showed that the atoms of denser Cu diffuse in the direction of gravity, whereas Zn atoms diffuse in the opposite direction by sedimentation. The interdiffusion coefficients became higher in the Cu-on-brass sample, and became lower in the brass-on-Cu sample. This rise may be related to the behavior of the vacancies.« less

Joining Dental Ceramic Layers With Glass

PubMed Central

Saied, MA; Lloyd, IK; Haller, WK; Lawn, BR

2011-01-01

Objective Test the hypothesis that glass-bonding of free-form veneer and core ceramic layers can produce robust interfaces, chemically durable and aesthetic in appearance and, above all, resistant to delamination. Methods Layers of independently produced porcelains (NobelRondo™ Press porcelain, Nobel BioCare AB and Sagkura Interaction porcelain, Elephant Dental) and matching alumina or zirconia core ceramics (Procera alumina, Nobel BioCare AB, BioZyram yttria stabilized tetragonal zirconia polycrystal, Cyrtina Dental) were joined with designed glasses, tailored to match thermal expansion coefficients of the components and free of toxic elements. Scanning electron microprobe analysis was used to characterize the chemistry of the joined interfaces, specifically to confirm interdiffusion of ions. Vickers indentations were used to drive controlled corner cracks into the glass interlayers to evaluate the toughness of the interfaces. Results The glass-bonded interfaces were found to have robust integrity relative to interfaces fused without glass, or those fused with a resin-based adhesive. Significance The structural integrity of the interfaces between porcelain veneers and alumina or zirconia cores is a critical factor in the longevity of all-ceramic dental crowns and fixed dental prostheses. PMID:21802131

Interconnect mechanisms in microelectronic packaging

NASA Astrophysics Data System (ADS)

Roma, Maria Penafrancia C.

Global economic, environmental and market developments caused major impact in the microelectronics industry. Astronomical rise of gold metal prices over the last decade shifted the use of copper and silver alloys as bonding wires. Environmental legislation on the restriction of the use of Pb launched worldwide search for lead-free solders and platings. Finally, electrical and digital uses demanded smaller, faster and cheaper devices. Ultra-fine pitch bonding, decreasing bond wire sizes and hard to bond substrates have put the once-robust stitch bond in the center of reliability issues due to stitch bond lift or open wires .Unlike the ball bond, stitch bonding does not lead to intermetallic compound formation but adhesion is dependent on mechanical deformation, interdiffusion, solid solution formation, void formation and mechanical interlocking depending on the wire material, bond configuration, substrate type , thickness and surface condition. Using Au standoff stitch bonds on NiPdAu plated substrates eliminated stitch bond lift even when the Au and Pd layers are reduced. Using the Matano-Boltzmann analysis on a STEM (Scanning Transmission Analysis) concentration profile the interdiffusion coefficient is measured to be 10-16 cm 2/s. Wire pull strength data showed that the wire pull strength is 0.062N and increases upon stress testing. Meanwhile, coating the Cu wire with Pd, not only increases oxidation resistance but also improved adhesion due to the formation of a unique interfacial adhesion layers. Adhesion strength as measured by pull showed the Cu wire bonded to Ag plated Cu substrate (0.132N) to be stronger than the Au wire bonded on the same substrate (0.124N). Ag stitch bonded to Au is predicted to be strong but surface modification made the adhesion stronger. However, on the Ag ball bonded to Al showed multiple IMC formation with unique morphology exposed by ion milling and backscattered scanning electron microscopy. Adding alloying elements in the Ag wire alloy showed differences in adhesion strength and IMC formation. Bond strength by wire pull testing showed the 95Ag alloy with higher values while shear bond testing showed the 88Ag higher bond strength. Use of Cu pillars in flip chips and eutectic bonding in wafer level chip scale packages are direct consequences of diminishing interconnect dimension as a result of the drive for miniaturization. The combination of Cu-Sn interdiffusion, Kirkendall mechanism and heterogeneous vacancy precipitation are the main causes of IMC and void formation in Cu pillar - Sn solder - Cu lead frame sandwich structure. However, adding a Ni barrier agent showed less porous IMC layer as well as void formation as a result of the modified Cu and Sn movement well as the void formation. Direct die to die bonding using Al-Ge eutectic bonds is necessary when 3D integration is needed to reduce the footprint of a package. Hermeticity and adhesion strength are a function of the Al/Ge thickness ratio, bonding pressure, temperature and time. Scanning Electron Microscope (SEM) and Focused Ion Beam (FIB) allowed imaging of interfacial microstructures, porosity, grain morphology while Scanning Transmission Electron microscope (STEM) provided diffusion profile and confirmed interdiffusion. Ion polishing technique provided information on porosity and when imaged using backscattered mode, grain structure confirmed mechanical deformation of the bonds. Measurements of the interfacial bond strength are made by wire pull tests and ball shear tests based on existing industry standard tests. However, for the Al-Ge eutectic bonds, no standard strength is available so a test is developed using the stud pull test method using the Dage 4000 Plus to yield consistent results. Adhesion strengths of 30-40 MPa are found for eutectic bonded packages however, as low as 20MPa was measured in low temperature bonded areas.

Limited-life cartridge primers

DOEpatents

Makowiecki, Daniel M.; Rosen, Robert S.

1998-01-01

A cartridge primer which utilizes an explosive that can be designed to become inactive in a predetermined period of time: a limited-life primer. The explosive or combustible material of the primer is an inorganic reactive multilayer (RML). The reaction products of the RML are sub-micron grains of non-corrosive inorganic compounds that would have no harmful effects on firearms or cartridge cases. Unlike use of primers containing lead components, primers utilizing RML's would not present a hazard to the environment. The sensitivity of an RML is determined by the physical structure and the stored interfacial energy. The sensitivity lowers with time due to a decrease in interfacial energy resulting from interdiffusion of the elemental layers. Time-dependent interdiffusion is predictable, thereby enabling the functional lifetime of an RML primer to be predetermined by the initial thickness and materials selection of the reacting layers.

Limited-life cartridge primers

DOEpatents

Makowiecki, Daniel M.; Rosen, Robert S.

2005-04-19

A cartridge primer which utilizes an explosive that can be designed to become inactive in a predetermined period of time: a limited-life primer. The explosive or combustible material of the primer is an inorganic reactive multilayer (RML). The reaction products of the RML are sub-micron grains of non-corrosive inorganic compounds that would have no harmful effects on firearms or cartridge cases. Unlike use of primers containing lead components, primers utilizing RML's would not present a hazard to the environment. The sensitivity of an RML is determined by the physical structure and the stored interfacial energy. The sensitivity lowers with time due to a decrease in interfacial energy resulting from interdiffusion of the elemental layers. Time-dependent interdiffusion is predictable, thereby enabling the functional lifetime of an RML primer to be predetermined by the initial thickness and materials selection of the reacting layers.

Transport properties of ultra-thin VO2 films on (001) TiO2 grown by reactive molecular-beam epitaxy

NASA Astrophysics Data System (ADS)

Paik, Hanjong; Moyer, Jarrett A.; Spila, Timothy; Tashman, Joshua W.; Mundy, Julia A.; Freeman, Eugene; Shukla, Nikhil; Lapano, Jason M.; Engel-Herbert, Roman; Zander, Willi; Schubert, Jürgen; Muller, David A.; Datta, Suman; Schiffer, Peter; Schlom, Darrell G.

2015-10-01

We report the growth of (001)-oriented VO2 films as thin as 1.5 nm with abrupt and reproducible metal-insulator transitions (MIT) without a capping layer. Limitations to the growth of thinner films with sharp MITs are discussed, including the Volmer-Weber type growth mode due to the high energy of the (001) VO2 surface. Another key limitation is interdiffusion with the (001) TiO2 substrate, which we quantify using low angle annular dark field scanning transmission electron microscopy in conjunction with electron energy loss spectroscopy. We find that controlling island coalescence on the (001) surface and minimization of cation interdiffusion by using a low growth temperature followed by a brief anneal at higher temperature are crucial for realizing ultrathin VO2 films with abrupt MIT behavior.

Effect of La2O3 addition on interface chemistry between 4YSZ top layer and Ni based alloy bond coat in thermal barrier coating by EB PVD.

PubMed

Park, Chan-Young; Yang, Young-Hwan; Kim, Seong-Won; Lee, Sung-Min; Kim, Hyung-Tae; Jang, Byung-Koog; Lim, Dae-Soon; Oh, Yoon-Suk

2014-11-01

The effect of a 5 mol% La2O3 addition on the forming behavior and compositional variation at interface between a 4 mol% Yttria (Y2O3) stabilized ZrO2 (4YSZ) top coat and bond coat (NiCrAlY) as a thermal barrier coating (TBC) has been investigated. Top coats were deposited by electron beam physical vapor deposition (EB PVD) onto a super alloy (Ni-Cr-Co-Al) substrate without pre-oxidation of the bond coat. Top coats are found to consist of dense columnar grains with a thin interdiffusion layer between metallic bond coats. In the as-received 4YSZ coating, a thin interdiffusion zone at the interface between the top and bond coats was found to consist of a Ni-Zr intermetallic compound with a reduced quantity of Y, Al or O elements. On the other hand, in the case of an interdiffusion area of 5 mol% La2O3-added 4YSZ coating, it was found that the complicated composition and structure with La-added YSZ and Ni-Al rich compounds separately. The thermal conductivity of 5 mol% La2O3-added 4YSZ coating (- 1.6 W/m x k at 1100 degrees C) was lower than a 4YSZ coating (- 3.2 W/m x k at 1100 degrees C) alone.

Formation of silicides in annealed periodic multilayers

NASA Astrophysics Data System (ADS)

Maury, H.; Jonnard, P.; Le Guen, K.; André, J.-M.

2009-05-01

Periodic multilayers of nanometric period are widely used as optical components for the X-ray and extreme UV (EUV) ranges, in X-ray space telescopes, X-ray microscopes, EUV photolithography or synchrotron beamlines for example. Their optical performances depend on the quality of the interfaces between the various layers: chemical interdiffusion or mechanical roughness shifts the application wavelength and can drastically decrease the reflectance. Since under high thermal charge interdiffusion is known to get enhanced, the study of the thermal stability of such structures is essential to understand how interfacial compounds develop. We have characterized X-ray and EUV siliconcontaining multilayers (Mo/Si, Sc/Si and Mg/SiC) as a function of the annealing temperature (up to 600°C) using two non-destructive methods. X-ray emission from the silicon atoms, describing the Si valence states, is used to determine the chemical nature of the compounds present in the interphases while X-ray reflectivity in the hard and soft X-ray ranges can be related to the optical properties. In the three cases, interfacial metallic (Mo, Sc, Mg) silicides are evidenced and the thickness of the interphase increases with the annealing temperature. For Mo/Si and Sc/Si multilayers, silicides are even present in the as-prepared multilayers. Characteristic parameters of the stacks are determined: composition of the interphases, thickness and roughness of the layers and interphases if any. Finally, we have evidenced the maximum temperature of application of these multilayers to minimize interdiffusion.

Amorphous stabilization and dissolution enhancement of amorphous ternary solid dispersions: combination of polymers showing drug-polymer interaction for synergistic effects.

PubMed

Prasad, Dev; Chauhan, Harsh; Atef, Eman

2014-11-01

The purpose of this study was to understand the combined effect of two polymers showing drug-polymer interactions on amorphous stabilization and dissolution enhancement of indomethacin (IND) in amorphous ternary solid dispersions. The mechanism responsible for the enhanced stability and dissolution of IND in amorphous ternary systems was studied by exploring the miscibility and intermolecular interactions between IND and polymers through thermal and spectroscopic analysis. Eudragit E100 and PVP K90 at low concentrations (2.5%-40%, w/w) were used to prepare amorphous binary and ternary solid dispersions by solvent evaporation. Stability results showed that amorphous ternary solid dispersions have better stability compared with amorphous binary solid dispersions. The dissolution of IND from the ternary dispersion was substantially higher than the binary dispersions as well as amorphous drug. Melting point depression of physical mixtures reveals that the drug was miscible in both the polymers; however, greater miscibility was observed in ternary physical mixtures. The IR analysis confirmed intermolecular interactions between IND and individual polymers. These interactions were found to be intact in ternary systems. These results suggest that the combination of two polymers showing drug-polymer interaction offers synergistic enhancement in amorphous stability and dissolution in ternary solid dispersions. © 2014 Wiley Periodicals, Inc. and the American Pharmacists Association.

On the interdiffusion in multilayered silicide coatings for the vanadium-based alloy V-4Cr-4Ti

NASA Astrophysics Data System (ADS)

Chaia, N.; Portebois, L.; Mathieu, S.; David, N.; Vilasi, M.

2017-02-01

To provide protection against corrosion at high temperatures, silicide diffusion coatings were developed for the V-4Cr-4Ti alloy, which can be used as the fuel cladding in next-generation sodium-cooled fast breeder reactors. The multilayered coatings were prepared by halide-activated pack cementation using MgF2 as the transport agent and pure silicon (high activity) as the master alloy. Coated pure vanadium and coated V-4Cr-4Ti alloy were studied and compared as substrates. In both cases, the growth of the silicide layers (V3Si, V5Si3, V6Si5 and VSi2) was controlled exclusively by solid-state diffusion, and the growth kinetics followed a parabolic law. Wagner's analysis was adopted to calculate the integrated diffusion coefficients for all silicides. The estimated values of the integrated diffusion coefficients range from approximately 10-9 to 10-13 cm2 s-1. Then, a diffusion-based numerical approach was used to evaluate the growth and consumption of the layers when the coated substrates were exposed at critical temperatures. The estimated lifetimes of the upper VSi2 layer were 400 h and 280 h for pure vanadium and the V-4Cr-4Ti alloy, respectively. The result from the numeric simulation was in good agreement with the layer thicknesses measured after aging the coated samples at 1150 °C under vacuum.

Protein diffusiophoresis and salt osmotic diffusion in aqueous solutions.

PubMed

Annunziata, Onofrio; Buzatu, Daniela; Albright, John G

2012-10-25

Diffusion of a solute can be induced by the concentration gradient of another solute in solution. This transport mechanism is known as cross-diffusion. We have investigated cross-diffusion in a ternary protein-salt-water system. Specifically, we measured the two cross-diffusion coefficients for the lysozyme-NaCl-water system at 25 °C and pH 4.5 as a function of protein and salt concentrations by Rayleigh interferometry. One cross-diffusion coefficient characterizes salt osmotic diffusion induced by a protein concentration gradient, and is related to protein-salt thermodynamic interactions as described by the theories of Donnan membrane equilibrium and protein preferential hydration. The other cross-diffusion coefficient characterizes protein diffusiophoresis induced by a salt concentration gradient, and is described as the difference between a preferential-interaction coefficient and a transport parameter. We first relate our experimental results to the protein net charge and the thermodynamic excess of water near the protein surface. We then extract the Stefan-Maxwell diffusion coefficient describing protein-salt interactions in water. We find that the value of this coefficient is negative, contrary to the friction interpretation of Stefan-Maxwell equations. This result is explained by considering protein hydration. Finally, protein diffusiophoresis is quantitatively examined by considering electrophoretic and hydration effects on protein migration and utilized to accurately estimate lysozyme electrophoretic mobility. To our knowledge, this is the first time that protein diffusiophoresis has been experimentally characterized and a protein-salt Stefan-Maxwell diffusion coefficient reported. This work represents a significant contribution for understanding and modeling the effect of concentration gradients in protein-salt aqueous systems relevant to diffusion-based mass-transfer technologies and transport in living systems.

Solubility and diffusivity of nitrous oxide in ternary mixtures of water, monoethanolamine, and N-methyldiethanolamine and solution densities and viscosities

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

Hagewiesche, D.P.; Ashour, S.S.; Sandall, O.C.

1995-05-01

Recently, several researchers have suggested using aqueous mixtures of small amounts of monoethanolamine and much larger amounts of N-methyldiethanolamine for the absorption of CO{sub 2} and for the selective removal of H{sub 2}S from gas streams of mixtures of CO{sub 2} and H{sub 2}S. The densities and viscosities of aqueous N-methyldiethanolamine/monoethanolamine (MDEA/MEA) blends containing 30 and 40 mass % total amine with MEA concentrations of 5, 10, and 15 mass % of the total amine concentration were measured at temperatures of 303, 313, and 323 K. The diffusion coefficients and Henry`s law constants of N{sub 2}O in these solutions weremore » also measured and were used to estimate the diffusion coefficients and Henry`s law constants of CO{sub 2} in these solutions according to the N{sub 2}O/CO{sub 2} analogy technique.« less

A Molecular Dynamics Simulation of the Molten Ternary System (Li, K, Cs)Cl

NASA Astrophysics Data System (ADS)

Matsumiya, Masahiko; Takagi, Ryuzo

2000-12-01

The self-exchange velocity (SEV) of neighboring unlike ions, has been evaluated by molecular dynamics simulations of molten CsCl, (Li, K)C1 and (Li, K, Cs)Cl at 673 K. From the increase of the SEV's in the same order as the internal mobilities it is conjectured that there is a strong correlation between these two properties. The pair correlation functions, and the self-diffusion coefficients and the SEV's of Li+, K+, and Cs+ with reference to Cl- have also been calculated. The results allow to conclude that the self-exchange velocity of the cations become vCs < vK < vLi at xCs =0.1 and vLi < vK < vCs at xCs > 0.4. The sequence of the self-diffusion coefficients agrees with that of the SEV's. The results enable to conclude that it is possible to enrich Cs at up to xCs ~ 0.3 - 0.4 in the molten LiCl-KCl eutectic system.

METAL SHEATHED BODIES

DOEpatents

Finniston, H.M.; Wyatt, L.M.; Plail, O.S.

1961-06-27

An aluminum-cased uranium fuel element is patented for use in nuclear reactors. A layer of a substance such as graphite or a metallic film, preferably of relatively low thermal-neutron capture cross section, between the uranium and aluminum prevents their interdiffusion.

Limited-life cartridge primers

DOEpatents

Makowiecki, D.M.; Rosen, R.S.

1998-06-30

A cartridge primer is described which utilizes an explosive that can be designed to become inactive in a predetermined period of time: a limited-life primer. The explosive or combustible material of the primer is an inorganic reactive multilayer (RML). The reaction products of the RML are sub-micron grains of non-corrosive inorganic compounds that would have no harmful effects on firearms or cartridge cases. Unlike use of primers containing lead components, primers utilizing RML`s would not present a hazard to the environment. The sensitivity of an RML is determined by the physical structure and the stored interfacial energy. The sensitivity lowers with time due to a decrease in interfacial energy resulting from interdiffusion of the elemental layers. Time-dependent interdiffusion is predictable, thereby enabling the functional lifetime of an RML primer to be predetermined by the initial thickness and materials selection of the reacting layers. 10 figs.

Oxygen influencing the photocarriers lifetime of CH3NH3PbI3-xClx film grown by two-step interdiffusion method and its photovoltaic performance

NASA Astrophysics Data System (ADS)

Yuan, Shuai; Qiu, Zhiwen; Zhang, Hailiang; Gong, Haibo; Hao, Yufeng; Cao, Bingqiang

2016-01-01

During the growth of CH3NH3PbI3-xClx (MAPbI3-xClx) perovskite films by the two-step inter-diffusion method, the presence of a trace amount of oxygen gas is critical to their physical properties and photovoltaic performance. As the oxygen concentration increases, poor film morphologies and incomplete surface coverage are observed. Moreover, by XRD, Raman scattering, and photoluminescence measurements, we find that MAPbI3-xClx grains become more distorted and the electron-hole recombination rate dramatically increases. Higher oxygen concentration triggers a sharp decrease in the current density and the fill factor of corresponding solar cells, which degrades device performance, on average, from 14.3% to 4.4%. This work proves the importance of controlling the oxygen atmosphere in the fabrication of high-performance perovskite solar cells.

Strain dynamics during La{sub 2}O{sub 3}/Lu{sub 2}O{sub 3} superlattice and alloy formation

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

Proessdorf, André; Niehle, Michael; Grosse, Frank

The dynamics of strain relaxation and intermixing during molecular beam epitaxy of La{sub 2}O{sub 3} and Lu{sub 2}O{sub 3} superlattices and alloys consisting of both binaries on Si(111) have been studied by real-time in situ grazing incidence x-ray diffraction and high resolution transmission electron microscopy. The presence of both hexagonal and cubic polymorphs of La{sub 2}O{sub 3} influences the epitaxial formation within the superlattice. The process of strain relaxation is closely related to the presence of a (La,Lu){sub 2}O{sub 3} alloy adopting a cubic symmetry. It is formed by interdiffusion of La and Lu atoms reducing internal lattice mismatch withinmore » the superlattice. An interface thickness dominated by interdiffusion regions of about 3 monolayers is determined by high-angle annular dark field scanning transmission electron microscopy.« less

Transport properties of ultra-thin VO{sub 2} films on (001) TiO{sub 2} grown by reactive molecular-beam epitaxy

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

Paik, Hanjong; Tashman, Joshua W.; Moyer, Jarrett A.

2015-10-19

We report the growth of (001)-oriented VO{sub 2} films as thin as 1.5 nm with abrupt and reproducible metal-insulator transitions (MIT) without a capping layer. Limitations to the growth of thinner films with sharp MITs are discussed, including the Volmer-Weber type growth mode due to the high energy of the (001) VO{sub 2} surface. Another key limitation is interdiffusion with the (001) TiO{sub 2} substrate, which we quantify using low angle annular dark field scanning transmission electron microscopy in conjunction with electron energy loss spectroscopy. We find that controlling island coalescence on the (001) surface and minimization of cation interdiffusion bymore » using a low growth temperature followed by a brief anneal at higher temperature are crucial for realizing ultrathin VO{sub 2} films with abrupt MIT behavior.« less

An approach to control tuning range and speed in 1D ternary photonic band gap material nano-layered optical filter structures electro-optically

NASA Astrophysics Data System (ADS)

Zia, Shahneel; Banerjee, Anirudh

2016-05-01

This paper demonstrates a way to control spectrum tuning capability in one-dimensional (1D) ternary photonic band gap (PBG) material nano-layered structures electro-optically. It is shown that not only tuning range, but also tuning speed of tunable optical filters based on 1D ternary PBG structures can be controlled Electro-optically. This approach finds application in tuning range enhancement of 1D Ternary PBG structures and compensating temperature sensitive transmission spectrum shift in 1D Ternary PBG structures.

An approach to control tuning range and speed in 1D ternary photonic band gap material nano-layered optical filter structures electro-optically

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

Zia, Shahneel, E-mail: shahneelzia@gmail.com; Banerjee, Anirudh, E-mail: abanerjee@amity.edu

2016-05-06

This paper demonstrates a way to control spectrum tuning capability in one-dimensional (1D) ternary photonic band gap (PBG) material nano-layered structures electro-optically. It is shown that not only tuning range, but also tuning speed of tunable optical filters based on 1D ternary PBG structures can be controlled Electro-optically. This approach finds application in tuning range enhancement of 1D Ternary PBG structures and compensating temperature sensitive transmission spectrum shift in 1D Ternary PBG structures.

Adsorption of Pb2+ ions on novel ternary nanocomposite of tin, iron and titania

NASA Astrophysics Data System (ADS)

Rehman, Mahfooz ur; Rehman, Wajid; Waseem, Muhammad; Haq, Sirajul; Hussain Shah, Khizar; Kang, Peng

2018-02-01

In this study, ternary nanocomposite (TNC) was synthesized by microemulsion method by taking Sn, Ti and Fe in (1:1:1) molar ratio. The BET surface area and pore size were measured by nitrogen adsorption method. The morphological features of TNC like particle size, elemental percentage and crystallite size were studied by scanning electron microscopy (SEM), energy dispersive x-rays (EDX) and x-rays diffraction (XRD) respectively, whereas the surface functional groups were detected by Fourier Transform Infrared (FTIR) spectroscopy. The crystallite size was found to be 11 nm, calculated from FWHM of diffraction peak with relative intensity 100%. For the thermal stability of TNC, thermogravimetric analysis (TGA) was performed. Batch adsorption tests were used for the removal of Pb2+ ions from aqueous solutions. The maximum adsorption capacity in this study was found to be 79.56 mg g-1 at 40 °C which is promising than the values reported in the literature. Based on the regression coefficient (r 2), the adsorption data was found well fitted to the Langmuir as compared to Freundlich model. The exchange of a single proton with every Pb2+ ion was calculated. Thermodynamic parameters were indicative for the sorption process to be endothermic and spontaneous.

Electrochemically influenced cation inter-diffusion and Co 3O 4 formation on La 0.6Sr 0.4CoO 3 infiltrated into SOFC cathodes

DOE PAGES

Song, Xueyan; Lee, Shiwoo; Chen, Yun; ...

2015-06-18

Nanosized LSC electrocatalyst was infiltrated into a porous scaffold cathode composed of Sm 2O 3-doped CeO 2 (SDC) and La 0.6Sr 0.4Co 0.2Fe 0.8O 3-δ (LSCF) in a commercial button solid oxide fuel cell (SOFC). To understand the stability of cathodes infiltrated with LSC, the infiltrated composite cells were subjected to both electrochemical operating and thermal aging states at 750 °C for 1500 h. Nanostructure and local chemistry evolution of La 0.6Sr 0.4CoO 3 (LSC) infiltrated cathodes upon operation and aging were investigated by transmission electron microscopy. After operation, the LSC remained a cubic perovskite, and the crystal grains exhibitmore » comparable size to as-infiltrated LSC grains. Inter-diffusion of Fe from the LSCF to a Fe-incorporated LSC layer developed on the LSCF backbone. However, only sharp interfaces were observed between LSC and SDC backbone in the as-infiltrated cathode and such interfaces remain after operation. The infiltrated LSC on the SDC backbone also retains granular particle morphology. Furthermore, newly grown Co 3O 4 nanocrystals were found in the operated cathode. After thermal aging, on the other hand, cation inter-diffusion across the interfaces of the infiltrate particles and the cathode backbones is less than that from the operated cells. Lastly, the following hypothesis is proposed: Co 3O 4 forms on LSC arising from local charge balancing between cobalt and oxygen vacancies.« less

Homomorphisms in C*-ternary algebras and JB*-triples

NASA Astrophysics Data System (ADS)

Park, Choonkil; Rassias, Themistocles M.

2008-01-01

In this paper, we investigate homomorphisms between C*-ternary algebras and derivations on C*-ternary algebras, and homomorphisms between JB*-triples and derivations on JB*-triples, associated with the following Apollonius type additive functional equation

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.

Assorted interactions of amino acids prevailing in aqueous vitamin C solutions probed by physicochemical and ab-initio contrivances

NASA Astrophysics Data System (ADS)

Das, Koyeli; Roy, Milan Chandra; Rajbanshi, Biplab; Roy, Mahendra Nath

2017-11-01

Qualitative and quantitative analysis of molecular interaction prevailing in tyrosine and tryptophan in aqueous solution of vitamin C have been probed by thermophysical properties. The apparent molar volume (ϕV), viscosity B-coefficient, molal refraction (RM) of tyrosine and tryptophan have been studied in aqueous vitamin C solutions at diverse temperatures via Masson equation which deduced solute-solvent and solute-solute interactions, respectively. Spectroscopic study along with physicochemical and computational techniques provides lots of interesting and highly significant insights of the model biological systems. The overall results established strong solute-solvent interactions between studied amino acids and vitamin C mixture in the ternary solutions.

Heat storage in alloy transformations

NASA Technical Reports Server (NTRS)

Birchenall, C. E.

1980-01-01

Heats of transformation of eutectic alloys were measured for many binary and ternary systems by differential scanning calorimetry and thermal analysis. Only the relatively cheap and plentiful elements Mg, Al, Si, P, Ca, Cu, Zn were considered. A method for measuring volume change during transformation was developed using x-ray absorption in a confined sample. Thermal expansion coefficients of both solid and liquid states of aluminum and of its eutectics with copper and with silicon also were determined. Preliminary evaluation of containment materials lead to the selection of silicon carbide as the initial material for study. Possible applications of alloy PCMs for heat storage in conventional and solar central power stations, small solar receivers and industrial furnace operations are under consideration.

High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes.

PubMed

Lu, Luyao; Chen, Wei; Xu, Tao; Yu, Luping

2015-06-04

The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increased hole extraction, efficient energy transfer and better morphology. The working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.

Electrocatalyst for alcohol oxidation at fuel cell anodes

DOEpatents

Adzic, Radoslav [East Setauket, NY; Kowal, Andrzej [Cracow, PL

2011-11-02

In some embodiments a ternary electrocatalyst is provided. The electrocatalyst can be used in an anode for oxidizing alcohol in a fuel cell. In some embodiments, the ternary electrocatalyst may include a noble metal particle having a surface decorated with clusters of SnO.sub.2 and Rh. The noble metal particles may include platinum, palladium, ruthenium, iridium, gold, and combinations thereof. In some embodiments, the ternary electrocatalyst includes SnO.sub.2 particles having a surface decorated with clusters of a noble metal and Rh. Some ternary electrocatalysts include noble metal particles with clusters of SnO.sub.2 and Rh at their surfaces. In some embodiments the electrocatalyst particle cores are nanoparticles. Some embodiments of the invention provide a fuel cell including an anode incorporating the ternary electrocatalyst. In some aspects a method of using ternary electrocatalysts of Pt, Rh, and SnO.sub.2 to oxidize an alcohol in a fuel cell is described.

Metal biosorption equilibria in a ternary system

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

Chong, K.H.; Volesky, B.

Equilibrium metal uptake performance of a biosorbent prepared from Ascophyllum nodosum seaweed biomass was studied using aqueous solutions containing copper, cadmium, and zinc ions in binary and ternary mixtures. Triangular equilibrium diagrams can graphically represent all the ternary equilibrium sorption data. Application of the multicomponent Langmuir model to describe the three-metal system revealed its nonideal characteristics, whereby the value of apparent dissociation constants for the respective metals differed for each system. This restricted the prediction of the ternary equilibria from the binary systems. However, some predictions of the ternary system behavior from the model were consistent with experimental data andmore » with conclusions postulated from the three possible binary subsystems.« less

High-field superconductivity in the Nb-Ti-Zr ternary system

NASA Astrophysics Data System (ADS)

Ralls, K. M.; Rose, R. M.; Wulff, J.

1980-06-01

Resistive critical current densities, critical fields, and normal-state electrical resistivities were obtained at 4.2 °K for 55 alloys in the Nb-Ti-Zr ternary alloy system, excepting Ti-Zr binary compositions. The resistive critical field as a function of ternary composition has a saddle point between the Nb-Ti and Nb-Zr binaries, so that ternary alloying in this system is not expected to result in higher critical fields than the binary alloys.

Elongation factor Ts directly facilitates the formation and disassembly of the Escherichia coli elongation factor Tu·GTP·aminoacyl-tRNA ternary complex.

PubMed

Burnett, Benjamin J; Altman, Roger B; Ferrao, Ryan; Alejo, Jose L; Kaur, Navdep; Kanji, Joshua; Blanchard, Scott C

2013-05-10

Aminoacyl-tRNA (aa-tRNA) enters the ribosome in a ternary complex with the G-protein elongation factor Tu (EF-Tu) and GTP. EF-Tu·GTP·aa-tRNA ternary complex formation and decay rates are accelerated in the presence of the nucleotide exchange factor elongation factor Ts (EF-Ts). EF-Ts directly facilitates the formation and disassociation of ternary complex. This system demonstrates a novel function of EF-Ts. Aminoacyl-tRNA enters the translating ribosome in a ternary complex with elongation factor Tu (EF-Tu) and GTP. Here, we describe bulk steady state and pre-steady state fluorescence methods that enabled us to quantitatively explore the kinetic features of Escherichia coli ternary complex formation and decay. The data obtained suggest that both processes are controlled by a nucleotide-dependent, rate-determining conformational change in EF-Tu. Unexpectedly, we found that this conformational change is accelerated by elongation factor Ts (EF-Ts), the guanosine nucleotide exchange factor for EF-Tu. Notably, EF-Ts attenuates the affinity of EF-Tu for GTP and destabilizes ternary complex in the presence of non-hydrolyzable GTP analogs. These results suggest that EF-Ts serves an unanticipated role in the cell of actively regulating the abundance and stability of ternary complex in a manner that contributes to rapid and faithful protein synthesis.

Molecular dynamics simulations show altered secondary structure of clawless in binary complex with DNA providing insights into aristaless-clawless-DNA ternary complex formation.

PubMed

Kachhap, Sangita; Priyadarshini, Pragya; Singh, Balvinder

2017-05-01

Aristaless (Al) and clawless (Cll) homeodomains that are involved in leg development in Drosophila melanogaster are known to bind cooperatively to 5'-(T/C)TAATTAA(T/A)(T/A)G-3' DNA sequence, but the mechanism of their binding to DNA is unknown. Molecular dynamics (MD) studies have been carried out on binary, ternary, and reconstructed protein-DNA complexes involving Al, Cll, and DNA along with binding free energy analysis of these complexes. Analysis of MD trajectories of Cll-3A01, binary complex reveals that C-terminal end of helixIII of Cll, unwind in the absence of Al and remains so in reconstructed ternary complex, Cll-3A01-Al. In addition, this change in secondary structure of Cll does not allow it to form protein-protein interactions with Al in the ternary reconstructed complex. However, secondary structure of Cll and its interactions are maintained in other reconstructed ternary complex, Al-3A01-Cll where Cll binds to Al-3A01, binary complex to form ternary complex. These interactions as observed during MD simulations compare well with those observed in ternary crystal structure. Thus, this study highlights the role of helixIII of Cll and protein-protein interactions while proposing likely mechanism of recognition in ternary complex, Al-Cll-DNA.

Hydrothermal synthesis of graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite for removal of Cu (II) and methylene blue

NASA Astrophysics Data System (ADS)

Long, Zhihang; Zhan, Yingqing; Li, Fei; Wan, Xinyi; He, Yi; Hou, Chunyan; Hu, Hai

2017-09-01

In this work, highly activated graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite adsorbent was prepared from a simple hydrothermal route by using ferrous sulfate as precursor. For this purpose, the graphene oxide/multiwalled carbon nanotube architectures were formed through the π-π attractions between them, followed by attaching Fe3O4 nanoparticles onto their surface. The structure and composition of as-prepared ternary nanocomposite were characterized by XRD, FTIR, XPS, SEM, TEM, Raman, TGA, and BET. It was found that the resultant porous graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite with large surface area could effectively prevent the π-π stacking interactions between graphene oxide nanosheets and greatly improve sorption sites on the surfaces. Thus, owing to the unique ternary nanocomposite architecture and synergistic effect among various components, as-prepared ternary nanocomposite exhibited high separation efficiency when they were used to remove the Cu (II) and methylene blue from aqueous solutions. Furthermore, the adsorption isotherms of ternary nanocomposite structures for Cu (II) and methylene blue removal fitted the Langmuir isotherm model. This work demonstrated that the graphene oxide/multiwalled carbon nanotube/Fe3O4 ternary nanocomposite was promising as an efficient adsorbent for heavy metal ions and organic dye removal from wastewater in low concentration.

Structural characterization and bioavailability of ternary nanoparticles consisting of amylose, α-linoleic acid and β-lactoglobulin complexed with naringin.

PubMed

Feng, Tao; Wang, Ke; Liu, Fangfang; Ye, Ran; Zhu, Xiao; Zhuang, Haining; Xu, Zhimin

2017-06-01

Naringin is a bioflavonoid that is rich in citrus plants and possesses enormous health benefits. However, the use of naringin as a nutraceutical is significantly limited by its low bioavailability. In this study, a novel water-soluble ternary nanoparticle material consisting of amylose, α-linoleic acid and β-lactoglobulin was developed to encapsulate naringin to improve its bioavailability. The physicochemical characteristics of the ternary nanoparticle-naringin inclusion complex were analysed by ultraviolet-visible spectroscopy (UV), Fourier transform infrared spectroscopy (FT-IR), differential scanning calorimetry (DSC), high-resolution transmission electron microscopy (TEM), X-ray diffractometry (XRD) and particle size distribution. The results confirmed the formation of the ternary nanoparticle-naringin inclusion complex. The encapsulation efficiency (EE) and loading content (LC) of the ternary nanoparticle-naringin inclusion complex were 78.73±4.17% and 14.51±3.43%, respectively. In addition, the results of the ternary nanoparticle-naringin inclusion complex in simulated gastric fluid (SGF) and simulated intestinal fluid (SIF) demonstrated that naringin can be gradually released from the complex. In conclusion, ternary nanoparticles are considered promising carriers to effectively improve the bioavailability of naringin. Copyright © 2017 Elsevier B.V. All rights reserved.

Diffusion of Sites versus Polymers in Polyelectrolyte Complexes and Multilayers.

PubMed

Fares, Hadi M; Schlenoff, Joseph B

2017-10-18

It has long been assumed that the spontaneous formation of materials such as complexes and multilayers from charged polymers depends on (inter)diffusion of these polyelectrolytes. Here, we separately examine the mass transport of polymer molecules and extrinsic sites-charged polyelectrolyte repeat units balanced by counterions-within thin films of polyelectrolyte complex, PEC, using sensitive isotopic labeling techniques. The apparent diffusion coefficients of these sites within PEC films of poly(diallyldimethylammonium), PDADMA, and poly(styrenesulfonate), PSS, are at least 2 orders of magnitude faster than the diffusion of polyelectrolytes themselves. This is because site diffusion requires only local rearrangements of polyelectrolyte repeat units, placing far fewer kinetic limitations on the assembly of polyelectrolyte complexes in all of their forms. Site diffusion strongly depends on the salt concentration (ionic strength) of the environment, and diffusion of PDADMA sites is faster than that of PSS sites, accounting for the asymmetric nature of multilayer growth. Site diffusion is responsible for multilayer growth in the linear and into the exponential regimes, which explains how PDADMA can mysteriously "pass through" layers of PSS. Using quantitative relationships between site diffusion coefficient and salt concentration, conditions were identified that allowed the diffusion length to always exceed the film thickness, leading to full exponential growth over 3 orders of magnitude thickness. Both site and polymer diffusion were independent of molecular weight, suggesting that ion pairing density is a limiting factor. Polyelectrolyte complexes are examples of a broader class of dynamic bulk polymeric materials that (self-) assemble via the transport of cross-links or defects rather than actual molecules.

Ternary and Quaternary Composition Diagrams: An Overview of the Subject.

ERIC Educational Resources Information Center

MacCarthy, Patrick

1983-01-01

Reviews graphical methods for representing ternary and quaternary systems, focusing on use of triangular composition diagrams. Examines some of the relevant geometry of triangles in general, showing that right isosceles triangles possess some very advantageous features for representing ternary systems. (JN)

Pb-free Sn-Ag-Cu ternary eutectic solder

DOEpatents

Anderson, Iver E.; Yost, Frederick G.; Smith, John F.; Miller, Chad M.; Terpstra, Robert L.

1996-06-18

A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217.degree. C. and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid "mushy" zone) relative to the eutectic melting temperature (e.g. up to 15.degree. C. above the eutectic melting temperature).

Pb-free Sn-Ag-Cu ternary eutectic solder

DOEpatents

Anderson, I.E.; Yost, F.G.; Smith, J.F.; Miller, C.M.; Terpstra, R.L.

1996-06-18

A Pb-free solder includes a ternary eutectic composition consisting essentially of about 93.6 weight % Sn-about 4.7 weight % Ag-about 1.7 weight % Cu having a eutectic melting temperature of about 217 C and variants of the ternary composition wherein the relative concentrations of Sn, Ag, and Cu deviate from the ternary eutectic composition to provide a controlled melting temperature range (liquid-solid ``mushy`` zone) relative to the eutectic melting temperature (e.g. up to 15 C above the eutectic melting temperature). 5 figs.

Ternary particle yields in 249Cf(nth,f)

NASA Astrophysics Data System (ADS)

Tsekhanovich, I.; Büyükmumcu, Z.; Davi, M.; Denschlag, H. O.; Gönnenwein, F.; Boulyga, S. F.

2003-03-01

An experiment measuring ternary particle yields in 249Cf(nth,f) was carried out at the high flux reactor of the Institut Laue-Langevin using the Lohengrin recoil mass separator. Parameters of energy distributions were determined for 27 ternary particles up to 30Mg and their yields were calculated. The yields of 17 further ternary particles were estimated on the basis of the systematics developed. The heaviest particles observed in the experiment are 37Si and 37S; their possible origin is discussed.

An ion interaction model for the volumetric properties of natural waters: Density of the solution and partial molal volumes of electrolytes to high concentrations at 25°C

NASA Astrophysics Data System (ADS)

Monnin, Christophe

1989-06-01

Literature density data for binary and common ion ternary solutions in the Na-K-Ca-Mg-Cl-SO 4-HCO 3-CO3-H 2O system at 25°C have been analysed with Pitzer's ion interaction model, which provides an adequate representation of the experimental data for binary and common ion ternary solutions up to high concentration. This analysis yields Pitzer's interaction parameters for the apparent and partial molal volumes, which are the first derivatives with respect to pressure of the interaction parameters for the free energy. From this information, densities of natural waters as well as partial molal volumes of their solutes can be predicted with good accuracy, as shown by several comparisons of calculated and measured values. It is shown that V¯MX - V¯0mx, the excess partial molal volume of the salt MX, depends more on the type of salt than on the electrolyte itself and that it increases with the charges of the salt components. The influence of concentration and composition on the variation of activity coefficients with pressure and on the partial molal volumes of the salts is discussed, using as an example the partial molal volume of CaSO 4(aq) in solutions of various compositions. The increase of V¯CaSO 4, with ionic strength is very large but is not very different for a NaCl-dominated natural water like the Red Sea lower brine than for a simple NaCl solution. Although the variation of activity coefficients with pressure is usually ignored for moderate pressures, like those found in hydrothermal environments, the present example shows that it can be as large as 30% for a 2-2 salt for a pressure increase from 1 to 500 bars at high ionic strength.

Impedance and magnetoelectric characteristics of (1 - x)BaTiO3- xLa0.7Sr0.3MnO3 ( x = 0.1 and 0.3) nano-composites

NASA Astrophysics Data System (ADS)

Nayek, C.; Murugavel, P.; Dinesh Kumar, S.; Subramanian, V.

2015-08-01

We have synthesized the phase-pure (1 - x)BaTiO3- xLa0.7Sr0.3MnO3 ( x = 0.1 and 0.3) magnetoelectric composites without interdiffusion among the existing phases. The magnetic measurements revealed an anomaly at the ferroelectric Curie temperature (393 K) of BaTiO3, and the dielectric data revealed an anomaly at the ferromagnetic transition temperature (360 K) of La0.7Sr0.3MnO3 ascertaining the magnetoelectric coupling in the composite. Impedance analysis indicated dipolar polarization contributions to the dielectric spectrum with two non-Debye-type relaxations. Both the grain and grain boundary contributions were present in the system with dominant grain boundary effect in all the composites. The composites show semiconducting behavior with the barrier hopping-type conducting mechanism. To avoid the free charge carrier and the space charge contributions, the magnetoelectric response was measured at high frequency range. The maximum values of magnetoelectric voltage coefficient measured at 100 kHz were 221 and 219 mV/Oe-cm for x = 0.1 and 0.3 samples, respectively.

Simulation of thermally induced processes of diffusion and phase formation in layered binary metallic systems

NASA Astrophysics Data System (ADS)

Rusakov, V. S.; Sukhorukov, I. A.; Zhankadamova, A. M.; Kadyrzhanov, K. K.

2010-05-01

Results of the simulation of thermally induced processes of diffusion and phase formation in model and experimentally investigated layered binary metallic systems are presented. The physical model is based on the Darken phenomenological theory and on the mechanism of interdiffusion of components along the continuous diffusion channels of phases in the two-phase regions of the system. The simulation of processes in the model systems showed that the thermally stabilized concentration profiles in two-layer binary metallic systems are virtually independent of the partial diffusion coefficients; for the systems with the average concentration of components that is the same over the sample depth, the time of the thermal stabilization of the structural and phase state inhomogeneous over the depth grows according to a power law with increasing thickness of the system in such a manner that the thicknesses of the surface layers grow, while the thickness of the intermediate layer approaches a constant value. The results of the simulation of the processes of diffusion and phase formation in experimentally investigated layered binary systems Fe-Ti and Cu-Be upon sequential isothermal and isochronous annealings agree well with the experimental data.

Atomistic modeling of metallic thin films by modified embedded atom method

NASA Astrophysics Data System (ADS)

Hao, Huali; Lau, Denvid

2017-11-01

Molecular dynamics simulation is applied to investigate the deposition process of metallic thin films. Eight metals, titanium, vanadium, iron, cobalt, nickel, copper, tungsten, and gold, are chosen to be deposited on the aluminum substrate. The second nearest-neighbor modified embedded atom method potential is adopted to predict their thermal and mechanical properties. When quantifying the screening parameters of the potential, the error for Young's modulus and coefficient of thermal expansion between the simulated results and the experimental measurements is less than 15%, demonstrating the reliability of the potential to predict metallic behaviors related to thermal and mechanical properties. A set of potential parameters which governs the interactions between aluminum and other metals in a binary system is also generated from ab initio calculation. The details of interfacial structures between the chosen films and substrate are successfully simulated with the help of these parameters. Our results indicate that the preferred orientation of film growth depends on the film crystal structure, and the inter-diffusion at the interface is correlated the cohesive energy parameter of potential for the binary system. Such finding provides an important basis to further understand the interfacial science, which contributes to the improvement of the mechanical properties, reliability and durability of films.

Prediction of novel stable Fe-V-Si ternary phase

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

Nguyen, Manh Cuong; Chen, Chong; Zhao, Xin

Genetic algorithm searches based on a cluster expansion model are performed to search for stable phases of Fe-V-Si ternary. Here, we identify a new thermodynamically, dynamically and mechanically stable ternary phase of Fe 5V 2Si with 2 formula units in a tetragonal unit cell. The formation energy of this new ternary phase is -36.9 meV/atom below the current ternary convex hull. The magnetic moment of Fe in the new structure varies from -0.30-2.52 μ B depending strongly on the number of Fe nearest neighbors. The total magnetic moment is 10.44 μ B/unit cell for new Fe 5V 2Si structure andmore » the system is ordinarily metallic.« less

MnO2 Nanorods Intercalating Graphene Oxide/Polyaniline Ternary Composites for Robust High-Performance Supercapacitors

NASA Astrophysics Data System (ADS)

Han, Guangqiang; Liu, Yun; Zhang, Lingling; Kan, Erjun; Zhang, Shaopeng; Tang, Jian; Tang, Weihua

2014-04-01

New ternary composites of MnO2 nanorods, polyaniline (PANI) and graphene oxide (GO) have been prepared by a two-step process. The 100 nm-long MnO2 nanorods with a diameter ~20 nm are conformably coated with PANI layers and fastened between GO layers. The MnO2 nanorods incorporated ternary composites electrode exhibits significantly increased specific capacitance than PANI/GO binary composite in supercapacitors. The ternary composite with 70% MnO2 exhibits a highest specific capacitance reaching 512 F/g and outstanding cycling performance, with ~97% capacitance retained over 5000 cycles. The ternary composite approach offers an effective solution to enhance the device performance of metal-oxide based supercapacitors for long cycling applications.

Prediction of novel stable Fe-V-Si ternary phase

DOE PAGES

Nguyen, Manh Cuong; Chen, Chong; Zhao, Xin; ...

2018-10-28

Genetic algorithm searches based on a cluster expansion model are performed to search for stable phases of Fe-V-Si ternary. Here, we identify a new thermodynamically, dynamically and mechanically stable ternary phase of Fe 5V 2Si with 2 formula units in a tetragonal unit cell. The formation energy of this new ternary phase is -36.9 meV/atom below the current ternary convex hull. The magnetic moment of Fe in the new structure varies from -0.30-2.52 μ B depending strongly on the number of Fe nearest neighbors. The total magnetic moment is 10.44 μ B/unit cell for new Fe 5V 2Si structure andmore » the system is ordinarily metallic.« less

Study on effect of L-arginine on solubility and dissolution of Zaltoprofen: Preparation and characterization of binary and ternary cyclodextrin inclusion complexes

NASA Astrophysics Data System (ADS)

Sherje, Atul P.; Patel, Forum; Murahari, Manikanta; Suvarna, Vasanti; Patel, Kavitkumar

2018-02-01

The present study demonstrated the binary and ternary complexes of Zaltoprofen (ZPF) with β-CD and HP-β-CD. The products were characterized using solubility, in vitro dissolution, and DSC studies. The mode of interaction of guest and host was revealed through 1H NMR and FT-IR studies. A significant increase was noticed in the stability constant (Kc) and complexation efficiency (CE) of β-CD and HP-β-CD due to addition of L-Arg in ternary complexes. The ternary complexes showed greater increase in solubility and dissolution of ZPF than binary complexes. Thus, ternary system of ZPF could be an innovative approach for its solubility and dissolution enhancement.

High-performance ternary blend polymer solar cells involving both energy transfer and hole relay processes

DOE PAGES

Lu, Luyao; Chen, Wei; Xu, Tao; ...

2015-06-04

The integration of multiple materials with complementary absorptions into a single junction device is regarded as an efficient way to enhance the power conversion efficiency (PCE) of organic solar cells (OSCs). However, because of increased complexity with one more component, only limited high-performance ternary systems have been demonstrated previously. Here we report an efficient ternary blend OSC with a PCE of 9.2%. We show that the third component can reduce surface trap densities in the ternary blend. Detailed studies unravel that the improved performance results from synergistic effects of enlarged open circuit voltage, suppressed trap-assisted recombination, enhanced light absorption, increasedmore » hole extraction, efficient energy transfer and better morphology. As a result, the working mechanism and high device performance demonstrate new insights and design guidelines for high-performance ternary blend solar cells and suggest that ternary structure is a promising platform to boost the efficiency of OSCs.« less

Diffusion Barrier Selection from Refractory Metals (Zr, Mo and Nb) via Interdiffusion Investigation for U-Mo RERTR Fuel Alloy

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

K. Huang; C. Kammerer; D. D. Keiser, Jr.

2014-04-01

U-Mo alloys are being developed as low enrichment monolithic fuel under the Reduced Enrichment for Research and Test Reactor (RERTR) Program. Diffusional interactions between the U-Mo fuel alloy and Al-alloy cladding within the monolithic fuel plate construct necessitate incorporation of a barrier layer. Fundamentally, a diffusion barrier candidate must have good thermal conductivity, high melting point, minimal metallurgical interaction, and good irradiation performance. Refractory metals, Zr, Mo, and Nb are considered based on their physical properties, and the diffusion behavior must be carefully examined first with U-Mo fuel alloy. Solid-to-solid U-10wt.%Mo vs. Mo, Zr, or Nb diffusion couples were assembledmore » and annealed at 600, 700, 800, 900 and 1000 degrees C for various times. The interdiffusion microstructures and chemical composition were examined via scanning electron microscopy and electron probe microanalysis, respectively. For all three systems, the growth rate of interdiffusion zone were calculated at 1000, 900 and 800 degrees C under the assumption of parabolic growth, and calculated for lower temperature of 700, 600 and 500 degrees C according to Arrhenius relationship. The growth rate was determined to be about 10 3 times slower for Zr, 10 5 times slower for Mo and 10 6 times slower for Nb, than the growth rates reported for the interaction between the U-Mo fuel alloy and pure Al or Al-Si cladding alloys. Zr, however was selected as the barrier metal due to a concern for thermo- mechanical behavior of UMo/Nb interface observed from diffusion couples, and for ductile-to-brittle transition of Mo near room temperature.« less

Low resistance AL2O3 magnetic tunnel junctions optimized through in situ conductance measurements

NASA Astrophysics Data System (ADS)

Wolfman, J.; Mauri, D.; Lin, T.; Yang, J.; Chen, T.

2005-06-01

In situ electrical conductance is used to monitor the growth and natural oxidation of aluminum on top of a CoFe electrode. Light oxidation is found to enhance the electron specular scattering of the CoFe/vacuum interface. Aluminum deposited onto CoFe intermixes to a depth of a few atomic layers, however, subsequent natural oxidation tends to reverse this interdiffusion through oxygen-driven A1 segregation. At the right A1 thickness, natural oxidation creates a clean and specular CoFe /AlOx interface very similar to the best achievable CoFe/vacuum interface. For thicker A1, natural oxidation leaves behind underoxidized AlOx and most importantly an interdiffused CoFe /Al interface. Using 2Torr×150-s natural oxidation, we have fabricated magnetic tunnel junctions (MTJs) with a peak tunnel magnetoresistance (TMR) of 18% for a resistance area product of 7Ωμm2, at the A1 metal thickness of 6 Å. With the same oxidation process TMR drops to only 8% when A1 is increased to 9 Å. Contrary to the accepted view, we do not attribute this TMR drop to A1 underoxidation, but primarily to the interdiffusion at the CoFe /Al interface. This assertion is strongly supported by a second set of MTJs differing only by the insertion of a nano-oxide layer (NOL) on top of CoFe. In this case when Al is increased from 6 to 9 Å, the TMR does not drop but increases from 16% to 27%. This is significant because NOL is found to effectively prevent Al diffusion into CoFe. NOL is also found to act as a reservoir of oxygen, which is subsequently consumed by Al.

Superconductivity in Bi/Ni bilayer system: Clear role of superconducting phases found at Bi/Ni interface

NASA Astrophysics Data System (ADS)

Liu, L. Y.; Xing, Y. T.; Merino, I. L. C.; Micklitz, H.; Franceschini, D. F.; Baggio-Saitovitch, E.; Bell, D. C.; Solórzano, I. G.

2018-01-01

Bi/Ni bilayers with varying Bi and Ni layer thicknesses have been prepared by (a) pulsed-laser deposition (PLD) at 300 K and (b) thermal evaporation at 4.2 K. A two-step superconducting transition appears on the electrical transport measurements in the samples prepared by PLD. High-resolution transmission and scanning transmission electron microscopy, supported by energy-dispersive x-ray spectroscopy (EDXS) analysis, reveal that two superconducting intermetallic alloys, namely NiBi and NiBi3, are formed by interdiffusion, if the bilayers are prepared at 300 K. The Tc of the two phases behaves very differently in an external magnetic field and the upper critical magnetic fields at zero temperature [Bc 2(0 ) ] were estimated as 1.1 and 7.4 T, respectively. The lower value corresponds to the Bc 2(0) of NiBi3 phase and the higher one is supposed to be of NiBi. These alloys are responsible for the superconductivity and the two-step transition appearing in the Bi/Ni bilayer system. Surprisingly, the Bi-rich phase (NiBi3) is formed near the Ni layer, while the Ni-rich phase (NiBi) is formed far from the Ni layer. The EDXS analysis at nanometer scale clearly shows an unusual increase of Ni concentration near the interface of Bi/substrate. The limited thickness of Bi layer in the interdiffusion process results in an unexpected distribution of Ni concentration. Samples prepared at 4.2 K after annealing at 300 K do not show any superconductivity, which indicates that a nonepitaxial Bi/Ni interface does not induce superconductivity in the case interdiffusion does not occur. These results offer a deeper understanding of the superconductivity in the Bi/Ni bilayer system.

Sequential character of low-energy ternary and quaternary nuclear fission

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

Kadmensky, S. G., E-mail: kadmensky@phys.vsu.ru; Bulychev, A. O.

2016-09-15

An analysis of low-energy true ternary (quaternary) nuclear fission leads to the conclusion that these fission modes have a sequential two-step (three-step) character such that the emission of a third particle (third and fourth particles) and the separation of fission fragments occur at distinctly different instants, in contrast to the simultaneous emergence of all fission products in the case of onestep ternary (quaternary) fission. This conclusion relies on the following arguments. First, the emission of a third particle (third and fourth particles) from a fissile nucleus is due to a nonevaporative mechanism associated with a nonadiabatic character of the collectivemore » deformation motion of this nucleus at the stages preceding its scission. Second, the axial symmetry of the deformed fissile compound nucleus and the direction of its symmetry axis both remain unchanged at all stages of ternary (quaternary) fission. This circumstancemakes it possible to explain themechanism of the appearance of observed anisotropies and T — odd asymmeries in the angular distributions of products of ternary (quaternary) nuclear fission. Third, the T —odd asymmetry discovered experimentally in ternary nuclear fission induced by cold polarized neutrons obeys the T —invariance condition only in the case of a sequential two-step (three-step) character of true ternary (quaternary) nuclear fission. At the same time, this asymmetry is not a T —invariant quantity in the case of the simultaneous emission of products of true ternary (quaternary) nuclear fission from the fissile compound nucleus.« less

Ternary mixed-mode silica sorbent of solid-phase extraction for determination of basic, neutral and acidic drugs in human serum.

PubMed

Jin, Shupei; Qiao, Yinghua; Xing, Jun

2018-06-01

In this study, a ternary mixed-mode silica sorbent (TMSS) with octamethylene, carboxyl, and amino groups was prepared via Cu(I)-catalyzed azide-alkyne cycloaddition (CuAAC) click reaction and a subsequent reduction of azide to primary amine. While used in solid-phase extraction (SPE), the retention behavior of TMSS towards a total of nine kinds of basic, neutral, and acidic drugs was investigated in detail. The results revealed that hydrophobic, ion-exchange interaction, and electrostatic repulsion between TMSS and the analytes were closely related to the retention behavior of TMSS. Besides, the log K ow value of the analyte was also a factor influencing the retention behavior of analytes on TMSS. The nine analytes could be retained by TMSS simultaneously and then, were eluted into two fractions according to the acid-base property of the analytes for further determinations. The acidic and neutral analytes were in one fraction, and the basic ones in the other fraction. When used to treat the human serum spiked with the nine drugs, TMSS offered higher recoveries than BakerBond CBA and comparable recoveries to Oasis WCX. It should be noted TMSS had better purifying capability for human serum than Oasis WCX. Under the optimized SPE conditions, a method of SPE hyphenated to high-performance liquid chromatography-ultraviolet detection (HPLC-UV) for determination of the basic, neutral, and acidic drugs spiked in human serum was established. For the nine drugs, the linear ranges were all between 5.0 and 1000 μg L -1 with correlation coefficients (R 2 ) above 0.9990, and the limits of detection (LODs) were in the range of 0.8-2.3 μg L -1 . The intra-day and inter-day relative standard deviations (RSDs) were less than 5.3 and 8.8%, respectively. Graphical abstract Treating drugs in human serum by SPE with ternary mixed-mode silica sorbent.

Experimental Constraints on the Partitioning Behavior of F, Cl, and OH Between Apatite and Basaltic Melt

NASA Technical Reports Server (NTRS)

McCubbin, Francis M.; Barnes, Jessica J.; Vander Kaaden, Kathleen E.; Boyce, Jeremy W.; Ustunisik, Gokce; Whitson, Eric S.

2017-01-01

The mineral apatite is present in a wide range of planetary materials. The presence of volatiles (F, Cl, and OH) within its crystal structure (X-site) have motivated numerous studies to investigate the partitioning behavior of F, Cl, and OH between apatite and silicate melt with the end goal of using apatite to constrain the volatile contents of planetary magmas and mantle sources. A number of recent experimental studies have investigated the apatite-melt partitioning behavior of F, Cl, and OH in magmatic systems. Apatite-melt partitioning of volatiles are best described as exchange equilibria similar to Fe-Mg partitioning between olivine and silicate melt. However, the partitioning behavior is likely to change as a function of temperature, pressure, oxygen fugacity, apatite composition, and melt composition. In the present study, we have conducted experiments to assess the partitioning behavior of F, Cl, and OH between apatite and silicate melt over a pressure range of 0-6 gigapascals, a temperature range of 950-1500 degrees Centigrade, and a wide range of apatite ternary compositions. All of the experiments were conducted between iron-wustite oxidation potentials IW minus 1 and IW plus 2 in a basaltic melt composition. The experimental run products were analyzed by a combination of electron probe microanalysis and secondary ion mass spectrometry (NanoSIMS). Temperature, apatite crystal chemistry, and pressure all play important roles in the partitioning behavior of F, Cl, and OH between apatite and silicate melt. In portions of apatite ternary space that undergo ideal mixing of F, Cl, and OH, exchange coefficients remain constant at constant temperature and pressure. However, exchange coefficients vary at constant temperature (T) and pressure (P) in portions of apatite compositional space where F, Cl, and OH do not mix ideally in apatite. The variation in exchange coefficients exhibited by apatite that does not undergo ideal mixing far exceeds the variations induced by changes in temperature (T) or pressure (P) . In regions where apatite undergoes ideal mixing of F, Cl, and OH, temperature has a stronger effect than pressure on the partitioning behavior, but both are important. Furthermore, fluorine becomes less compatible in apatite with increasing pressure and temperature. We are still in the process of analyzing our experimental run products, but we plan to quantify the effects of P and T on apatite-melt partitioning of F, Cl, and OH.

Atomistic modeling and simulation of the role of Be and Bi in Al diffusion in U-Mo fuel

NASA Astrophysics Data System (ADS)

Hofman, G. L.; Bozzolo, G.; Mosca, H. O.; Yacout, A. M.

2011-07-01

Within the RERTR program, previous experimental and modeling studies identified Si as the alloying addition to the Al cladding responsible for inhibiting Al interdiffusion in the UMo fuel. However, difficulties with reprocessing have rendered this choice inappropriate, leading to the need to study alternative elements. In this work, we discuss the results of an atomistic modeling effort which allows for the systematic study of several possible alloying additions. Based on the behavior observed in the phase diagrams, beryllium or bismuth additions suggest themselves as possible options to replace Si. The results of temperature-dependent simulations using the Bozzolo-Ferrante-Smith (BFS) method for the energetics for varying concentrations of either element are shown, indicating that Be could have a substantial effect in stopping Al interdiffusion, while Bi does not. Details of the calculations and the dependence of the role of each alloying addition as a function of temperature and concentration (of beryllium or bismuth in Al) are shown.

Polycrystalline silicon on tungsten substrates

NASA Technical Reports Server (NTRS)

Bevolo, A. J.; Schmidt, F. A.; Shanks, H. R.; Campisi, G. J.

1979-01-01

Thin films of electron-beam-vaporized silicon were deposited on fine-grained tungsten substrates under a pressure of about 1 x 10 to the -10th torr. Mass spectra from a quadrupole residual-gas analyzer were used to determine the partial pressure of 13 residual gases during each processing step. During separate silicon depositions, the atomically clean substrates were maintained at various temperatures between 400 and 780 C, and deposition rates were between 20 and 630 A min. Surface contamination and interdiffusion were monitored by in situ Auger electron spectrometry before and after cleaning, deposition, and annealing. Auger depth profiling, X-ray analysis, and SEM in the topographic and channeling modes were utilized to characterize the samples with respect to silicon-metal interface, interdiffusion, silicide formation, and grain size of silicon. The onset of silicide formation was found to occur at approximately 625 C. Above this temperature tungsten silicides were formed at a rate faster than the silicon deposition. Fine-grain silicon films were obtained at lower temperatures.

Enhanced water vapour flow in silica microchannels and interdiffusive water vapour flow through anodic aluminium oxide (AAO) membranes

NASA Astrophysics Data System (ADS)

Lei, Wenwen; McKenzie, David R.

2015-12-01

Enhanced liquid water flows through carbon nanotubes reinvigorated the study of moisture permeation through membranes and micro- and nano-channels. The study of water vapour through micro-and nano-channels has been neglected even though water vapour is as important as liquid water for industry, especially for encapsulation of electronic devices. Here we measure moisture flow rates in silica microchannels and interdiffusive water vapour flows in anodic aluminium oxide (AAO) membrane channels for the first time. We construct theory for the flow rates of the dominant modes of water transport through four previously defined standard configurations and benchmark it against our new measurements. The findings show that measurements of leak behaviour made using other molecules, such as helium, are not reliable. Single phase water vapour flow is overestimated by a helium measurement, while Washburn or capillary flow is underestimated or for all channels when boundary slip applies, to an extent that depends on the slip length for the liquid phase flows.

Biobased, self-healable, high strength rubber with tunicate cellulose nanocrystals.

PubMed

Cao, Liming; Yuan, Daosheng; Xu, Chuanhui; Chen, Yukun

2017-10-19

Cellulose nanocrystals represent a promising and environmentally friendly reinforcing nanofiller for polymers, especially for rubbers and elastomers. Here, a simple approach via latex mixing is used to fabricate biobased, healable rubber with high strength based on epoxidized natural rubber (ENR). Tunicate cellulose nanocrystals (t-CNs) isolated from marine biomass with a high aspect ratio are used to improve both mechanical properties and self-healing behavior of the material. By introducing dynamic hydrogen bond supramolecular networks between oxygenous groups of ENR and hydroxyl groups on the t-CN surface, together with chain interdiffusion in permanently but slightly cross-linked rubber, self-healing and mechanical properties are facilitated significantly in the resulting materials. Macroscopic tensile healing behavior and microscopic morphology analyses are carried out to evaluate the performance of the materials. Both t-CN content and healing time have significant influence on healing behavior. The results indicate that a synergistic effect between molecular interdiffusion and dynamic hydrogen bond supramolecular networks leads to the improved self-healing behavior.

Microstructural development from interdiffusion and reaction between Usbnd Mo and AA6061 alloys annealed at 600° and 550 °C

NASA Astrophysics Data System (ADS)

Perez, E.; Keiser, D. D.; Sohn, Y. H.

2016-08-01

The U.S. Material Management and Minimization Reactor Conversion Program is developing low enrichment fuel systems encased in Al-alloy for use in research and test reactors. Monolithic fuel plates have local regions where the Usbnd Mo fuel plate may come into contact with the Al-alloy 6061 (AA6061) cladding. This results in the development of interdiffusion zones with complex microstructures with multiple phases. In this study, the microstructural development of diffusion couples, Usbnd 7 wt%Mo, Usbnd 10 wt%Mo, and Usbnd 12 wt%Mo vs. AA6061, annealed at 600 °C for 24 h and at 550 °C for 1, 5, and 20 h, were analyzed by scanning electron microscopy with x-ray energy dispersive spectroscopy. The microstructural development and kinetics were compared to diffusion couples Usbnd Mo vs. high purity Al and binary Alsbnd Si alloys. The diffusion couples developed complex interaction regions where phase development was influenced by the alloying additions of the AA6061.

Aluminum silicide microparticles transformed from aluminum thin films by hypoeutectic interdiffusion

PubMed Central

2014-01-01

Aluminum silicide microparticles with oxidized rough surfaces were formed on Si substrates through a spontaneous granulation process of Al films. This microparticle formation was caused by interdiffusion of Al and Si atoms at hypoeutectic temperatures of Al-Si systems, which was driven by compressive stress stored in Al films. The size, density, and the composition of the microparticles could be controlled by adjusting the annealing temperature, time, and the film thickness. High-density microparticles of a size around 10 μm and with an atomic ratio of Si/Al of approximately 0.8 were obtained when a 90-nm-thick Al film on Si substrate was annealed for 9 h at 550°C. The microparticle formation resulted in a rapid increase of the sheet resistance, which is a consequence of substantial consumption of Al film. This simple route to size- and composition-controllable microparticle formation may lay a foundation stone for the thermoelectric study on Al-Si alloy-based heterogeneous systems. PMID:24994964

Aluminum silicide microparticles transformed from aluminum thin films by hypoeutectic interdiffusion.

PubMed

Noh, Jin-Seo

2014-01-01

Aluminum silicide microparticles with oxidized rough surfaces were formed on Si substrates through a spontaneous granulation process of Al films. This microparticle formation was caused by interdiffusion of Al and Si atoms at hypoeutectic temperatures of Al-Si systems, which was driven by compressive stress stored in Al films. The size, density, and the composition of the microparticles could be controlled by adjusting the annealing temperature, time, and the film thickness. High-density microparticles of a size around 10 μm and with an atomic ratio of Si/Al of approximately 0.8 were obtained when a 90-nm-thick Al film on Si substrate was annealed for 9 h at 550°C. The microparticle formation resulted in a rapid increase of the sheet resistance, which is a consequence of substantial consumption of Al film. This simple route to size- and composition-controllable microparticle formation may lay a foundation stone for the thermoelectric study on Al-Si alloy-based heterogeneous systems.

Electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces as dependent on MBE growth conditions and ex situ annealing

NASA Astrophysics Data System (ADS)

Komissarova, T. A.; Lebedev, M. V.; Sorokin, S. V.; Klimko, G. V.; Sedova, I. V.; Gronin, S. V.; Komissarov, K. A.; Calvet, W.; Drozdov, M. N.; Ivanov, S. V.

2017-04-01

A study of electronic, structural and chemical properties of GaAs/ZnSe heterovalent interfaces (HI) in dependence on molecular beam epitaxy (MBE) growth conditions and post-growth annealing was performed. Initial GaAs surface reconstructions ((2 × 4)As or c(4 × 4)As) and ZnSe growth mode (MBE or migration-enhanced epitaxy (MEE)) were varied for different undoped and n-doped heterovalent structures. Although all the structures have low extended defect density (less than 106 cm-2) and rather small (less than 5 nm) atomic interdiffusion at the HI, the structural, chemical and electronic properties of the near-interface area (short-distance interdiffusion effects, dominant chemical bonds, and valence band offset values) as well as electrical properties of the n-GaAs/n-ZnSe heterovalent structures were found to be influenced strongly by the MBE growth conditions and post-growth annealing.

Effects of MAR-M247 substrate (modified) composition on coating oxidation coating/substrate interdiffusion. M.S. Thesis. Final Report; [protective coatings for hot section components of gas turbine engines

NASA Technical Reports Server (NTRS)

Pilsner, B. H.

1985-01-01

The effects of gamma+gamma' Mar-M247 substrate composition on gamma+beta Ni-Cr-Al-Zr coating oxidation and coating/substrate interdiffusion were evaluated. These results were also compared to a prior study for a Ni-Cr-Al-Zr coated gamma Ni-Cr-Al substrate with equivalent Al and Cr atomic percentages. Cyclic oxidation behavior at 1130 C was investigated using change in weight curves. Concentration/distance profiles were measured for Al, Cr, Co, W, and Ta. The surface oxides were examined by X-ray diffraction and scanning electron microscopy. The results indicate that variations of Ta and C concentrations in the substrate do not affect oxidation resistance, while additions of grain boundary strengthening elements (Zr, Hf, B) increase oxidation resistance. In addition, the results indicate that oxidation phenomena in gamma+beta/gamma+gamma' Mar-M247 systems have similar characteristics to the l gamma+beta/gamma Ni-Cr-Al system.

S–Te Interdiffusion within Grains and Grain Boundaries in CdTe Solar Cells

DOE PAGES

Li, C.; Poplawsky, J.; Paudel, N.; ...

2014-09-19

At the CdTe/CdS interface, a significant Te-S interdiffusion has been found a few nanometers into the grain interiors with scanning transmission electron microscopy (STEM) and electron energy loss spectroscopy (EELS). S substitution at Te sites has been directly resolved in CdTe with STEM Z-contrast images. Moreover, when enough S substitutes for Te, a structural transformation from zinc-blende to wurtzite has been observed. Cl segregation has also been found at the interface. STEM electron-beam-induced current (EBIC) shows that the p-n junction occurs a few nm into the CdTe grains, which is consistent with the S diffusion range we observe. The shiftmore » of the p-n junction suggests a buried homo-junction which would help reduce non-radiative recombination at the junction. Meanwhile, long-range S diffusion in CdTe grain boundaries (GBs) has been detected, as well as Te and Cl diffusion in CdS GBs.« less

Multicomponent ternary cocrystals of the sulfonamide group with pyridine-amides and lactams.

PubMed

Bolla, Geetha; Nangia, Ashwini

2015-11-04

SMBA was selected as a bifunctional sulfa drug to design ternary cocrystals with pyridine amides and lactam coformers. Supramolecular assembly of five ternary cocrystals of p-sulfonamide benzoic acid with nicotinamide and 2-pyridone is demonstrated and reproducible heterosynthons are identified for crystal engineering.

Role of electron concentration in softening and hardening of ternary molybdenum alloys

NASA Technical Reports Server (NTRS)

Stephens, J. R.; Witzke, W. R.

1975-01-01

Effects of various combinations of hafnium, tantalum, rhenium, osmium, iridium, and platinum in ternary molybdenum alloys on alloy softening and hardening were determined. Hardness tests were conducted at four test temperatures over the temperature range 77 to 411 K. Results showed that hardness data for ternary molybdenum alloys could be correlated with anticipated results from binary data based upon expressions involving the number of s and d electrons contributed by the solute elements. The correlation indicated that electron concentration plays a dominant role in controlling the hardness of ternary molybdenum alloys.

MnO2 Nanorods Intercalating Graphene Oxide/Polyaniline Ternary Composites for Robust High-Performance Supercapacitors

PubMed Central

Han, Guangqiang; Liu, Yun; Zhang, Lingling; Kan, Erjun; Zhang, Shaopeng; Tang, Jian; Tang, Weihua

2014-01-01

New ternary composites of MnO2 nanorods, polyaniline (PANI) and graphene oxide (GO) have been prepared by a two-step process. The 100 nm-long MnO2 nanorods with a diameter ~20 nm are conformably coated with PANI layers and fastened between GO layers. The MnO2 nanorods incorporated ternary composites electrode exhibits significantly increased specific capacitance than PANI/GO binary composite in supercapacitors. The ternary composite with 70% MnO2 exhibits a highest specific capacitance reaching 512 F/g and outstanding cycling performance, with ~97% capacitance retained over 5000 cycles. The ternary composite approach offers an effective solution to enhance the device performance of metal-oxide based supercapacitors for long cycling applications. PMID:24769835

Ternary Solar Cells Based on Two Small Molecule Donors with Same Conjugated Backbone: The Role of Good Miscibility and Hole Relay Process.

PubMed

Xiao, Liangang; Liang, Tianxiang; Gao, Ke; Lai, Tianqi; Chen, Xuebin; Liu, Feng; Russell, Thomas P; Huang, Fei; Peng, Xiaobin; Cao, Yong

2017-09-06

Ternary organic solar cells (OSCs) are very attractive for further enhancing the power conversion efficiencies (PCEs) of binary ones but still with a single active layer. However, improving the PCEs is still challenging because a ternary cell with one more component is more complicated on phase separation behavior. If the two donors or two acceptors have similar chemical structures, good miscibility can be expected to reduce the try-and-error work. Herein, we report ternary devices based on two small molecule donors with the same backbone but different substituents. Whereas both binary devices show PCEs about 9%, the PCE of the ternary cells is enhanced to 10.17% with improved fill factor and short-circuit current values and external quantum efficiencies almost in the whole absorption wavelength region from 440 to 850 nm. The same backbone enables the donors miscible at molecular level, and the donor with a higher HOMO level plays hole relay process to facilitate the charge transportation in the ternary devices. Since side-chain engineering has been well performed to tune the active materials' energy levels in OSCs, our results suggest that their ternary systems are promising for further improving the binary cells' performance although their absorptions are not complementary.

Dependence of frictional strength on compositional variations of Hayward fault rock gouges

USGS Publications Warehouse

Morrow, Carolyn A.; Moore, Diane E.; Lockner, David A.

2010-01-01

The northern termination of the locked portion of the Hayward Fault near Berkeley, California, is found to coincide with the transition from strong Franciscan metagraywacke to melange on the western side of the fault. Both of these units are juxtaposed with various serpentinite, gabbro and graywacke units to the east, suggesting that the gouges formed within the Hayward Fault zone may vary widely due to the mixing of adjacent rock units and that the mechanical behavior of the fault would be best modeled by determining the frictional properties of mixtures of the principal rock types. To this end, room temperature, water-saturated, triaxial shearing tests were conducted on binary and ternary mixtures of fine-grained gouges prepared from serpentinite and gabbro from the Coast Range Ophiolite, a Great Valley Sequence graywacke, and three different Franciscan Complex metasedimentary rocks. Friction coefficients ranged from 0.36 for the serpentinite to 0.84 for the gabbro, with four of the rock types having coefficients of friction ranging from 0.67-0.84. The friction coefficients of the mixtures can be predicted reliably by a simple weighted average of the end-member dry-weight percentages and strengths for all samples except those containing serpentinite. For the serpentinite mixtures, a linear trend between end-member values slightly overestimates the coefficients of friction in the midcomposition ranges. The range in strength for these rock admixtures suggests that both theoretical and numerical modeling of the fault should attempt to account for variations in rock and gouge properties.

Performance of HCFC22 alternative refrigerants

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

Jung, D.; Kim, C.B.; Song, Y.J.

1999-07-01

In this study, 14 refrigerant mixtures composed of R32, R125, R134a, R152a, R290(Propane) and R1270(Propylene) were tested in a breadboard heat pump in an attempt to replace R22 used in residential air-conditioners. The test heat pump was of 1 ton capacity with water as the secondary heat transfer fluids. All tests were conducted under ARI test A condition. Test results how that ternary mixtures composed of R32, R125, and R134a have 4 {approximately} 5% higher coefficient of performance(COP) and capacity than R22. Hence they seem to be promising alternatives for R22. On the other hand, ternary mixtures containing R125, R134a,more » and R152a have lower COPs and capacities than R22. R290/R134 azeotrope also shows 3--4% increases in COP and capacity. The compressor discharge and dome temperatures of all the mixtures tested are lower than those of R22 by 15.9--34.7 C and 5.5--14.3 C respectively, indicating that these mixtures would offer better system reliability and longer life time than R22. Finally, the test results with a suction line heat exchanger (SLHX) indicated that SLHX must be used with special care in air-conditioners since its effect is fluid dependent.« less

Investigation of optical properties of ternary Zn-Ti-O thin films prepared by magnetron reactive co-sputtering

NASA Astrophysics Data System (ADS)

Netrvalová, Marie; Novák, Petr; Šutta, Pavol; Medlín, Rostislav

2017-11-01

Zn-Ti-O thin films with different concentrations of titanium were deposited by reactive magnetron co-sputtering in a reactive Ar/O2 atmosphere from zinc and titanium targets. It was found that with increasing Ti content the structure of the films gradually changes from a fully crystalline pure ZnO wurtzite structure with a strongly preferred columnar orientation to an amorphous Zn-Ti-O material with 12.5 at.% Ti. The optical parameters (spectral refractive index and extinction coefficient, optical band gap) and thickness of the films were analysed by the combined evaluation of ellipsometric measurements and measurements of transmittance on a UV-vis spectrophotometer. For evaluation of optical parameters was used Cody-Lorentz dispersion model.

Thermochemical analysis of intermolecular interactions between N-acetylglycine and polyols in aqueous solutions

NASA Astrophysics Data System (ADS)

Mezhevoi, I. N.; Badelin, V. G.

2017-05-01

The integral enthalpies of dissolution Δsol H m for N-acetylglycine in aqueous solutions of glycerol, ethylene glycol and 1,2-propylene glycol are measured via solution calorimetry. The standard enthalpies of dissolution (Δsol H 0) and transfer (Δtr H 0) for N-acetylglycine from water to aqueous solutions of polyhydric alcohols are calculated from experimental data. Positive values of enthalpy coefficients of pair interactions h xy for amino acids and polyol molecules are calculated using the McMillan-Mayer theory. The results are discussed using an approach for evaluating different types of interactions in ternary systems and the effect the structural features of interacting biomolecules have on the thermochemical characteristics of N-acetylglycine dissolution.

Enthalpic parameters of interaction between diglycylglycine and polyatomic alcohols in aqueous solutions

NASA Astrophysics Data System (ADS)

Mezhevoi, I. N.; Badelin, V. G.

2015-12-01

Integral enthalpies of solution Δsol H m of diglycylglycine in aqueous solutions of glycerol, ethylene glycol, and 1,2-propylene glycol are measured via solution calorimetry. The experimental data are used to calculate the standard enthalpies of solution (Δsol H°) and transfer (Δtr H°) of the tripeptide from water to aqueous solutions of polyatomic alcohols. The enthalpic pairwise coefficients h xy of interactions between the tripeptide and polyatomic alcohol molecules are calculated using the McMillan-Mayer solution theory and are found to have positive values. The findings are discussed using the theory of estimating various types of interactions in ternary systems and the effect the structural features of interacting biomolecules have on the thermochemical parameters of diglycylglycine dissolution.

Fluorescence and electron paramagnetic resonance studies of norfloxacin and N-donor mixed-ligand ternary copper(II) complexes: Stability and interaction with SDS micelles

NASA Astrophysics Data System (ADS)

Vignoli Muniz, Gabriel S.; Incio, Jimmy Llontop; Alves, Odivaldo C.; Krambrock, Klaus; Teixeira, Letícia R.; Louro, Sonia R. W.

2018-01-01

The stability of ternary copper(II) complexes of a heterocyclic ligand, L (L being 2,2‧-bipyridine (bipy) or 1,10-phenanthroline (phen)) and the fluorescent antibacterial agent norfloxacin (NFX) as the second ligand was studied at pH 7.4 and different ionic strengths. Fluorescence quenching upon titration of NFX with the binary complexes allowed to obtain stability constants for NFX binding, Kb, as a function of ionic strength. The Kb values vary by more than two orders of magnitude when buffer concentration varies from 0.5 to 100 mM. It was observed that previously synthesized ternary complexes dissociate in buffer according with the obtained stability constants. This shows that equimolar solutions of NFX and binary complexes are equivalent to solutions of synthesized ternary complexes. The interaction of the ternary copper complexes with anionic SDS (sodium dodecyl sulfate) micelles was studied by fluorescence and electron paramagnetic resonance (EPR). Titration of NFX-loaded SDS micelles with the complexes Cu:L allowed to determine the stability constants inside the micelles. Fluorescence quenching demonstrated that SDS micelles increase the stability constants by factors around 50. EPR spectra gave details of the copper(II) local environment, and demonstrated that the structure of the ternary complexes inside SDS micelles is different from that in buffer. Mononuclear ternary complexes formed inside the micelles, while in buffer most ternary complexes are binuclear. The results show that anionic membrane interfaces increase formation of copper fluoroquinolone complexes, which can influence bioavailability, membrane diffusion, and mechanism of action of the antibiotics.

Advanced methods for preparation and characterization of infrared detector materials

NASA Technical Reports Server (NTRS)

Broerman, J. G.; Morris, B. J.; Meschter, P. J.

1983-01-01

Crystals were prepared by the Bridgman-Stockbarger method with a wide range of crystal growth rates and temperature gradients adequate to prevent constitutional supercooling under diffusion-limited, steady-state, growth conditions. The longitudinal compositional gradients for different growth conditions and alloy compositions were calculated and compared with experimental data to develop a quantitative model of solute redistribution during the crystal growth of the alloys. Measurements were performed to ascertain the effect of growth conditions on radial compositional gradients. The pseudobinary HgTe-CdTe constitutional phase diagram was determined by precision differential-thermal-analysis measurements and used to calculate the segregation coefficient of Cd as a function of x and interface temperature. Experiments were conducted to determine the ternary phase equilibria in selected regions of the Hg-Cd-Te constitutional phase diagram. Electron and hole mobilities as functions of temperature were analyzed to establish charge-carrier scattering probabilities. Computer algorithms specific to Hg(1-x)CdxTe were developed for calculations of the charge-carrier concentration, charge-carrier mobilities, Hall coefficient, and Dermi Fermi energy as functions of x, temperature, ionized donor and acceptor concentrations, and neutral defect concentrations.

Apatite-Melt Partitioning of Volatiles in Basaltic Systems: Implications for Determining Volatile Abundances in Planetary Bodies from Apatite

NASA Technical Reports Server (NTRS)

McCubbin, F. M.

2017-01-01

Apatite [Ca5(PO4)3(F,Cl,OH)] is present in a wide range of planetary materials, and due to the presence of volatiles within its crystal structure (X-site), many recent studies have attempted to use apatite to constrain the volatile contents of planetary magmas and mantle sources [i.e., 1]. Experimental studies have investigated the apatite-melt partitioning behavior of F, Cl, and OH in basaltic systems [e.g., 2- 3], reporting that apatite-melt partitioning of volatiles is best described as exchange equilibria similar to Fe-Mg partitioning between olivine and silicate melt. However, exchange coefficients may vary as a function of temperature, pressure, melt composition, and/or oxygen fugacity. Furthermore, exchange coefficients may vary in portions of apatite compositional space where F, Cl, and OH do not mix ideally in apatite [3]. In these regions of ternary space, we anticipate that crystal chemistry could influence partitioning behavior. Consequently, we conducted experiments to investigate the effect of apatite crystal chemistry on apatite-melt partitioning of F, Cl, and OH.

Electric Properties of Pb(Sb1/2Nb1/2)O3 PbTiO3 PbZrO3 Ceramics

NASA Astrophysics Data System (ADS)

Kawamura, Yasushi; Ohuchi, Hiromu

1994-09-01

Solid-solution ceramics of ternary system xPb(Sb1/2Nb1/2)O3 yPbTiO3 zPbZrO3 were prepared by the solid-state reaction of powder materials. Ceramic, electric, dielectric and piezoelectric properties and crystal structures of the system were studied. Sintering of the system xPb(Sb1/2Nb1/2)O3 yPbTiO3 zPbZrO3 is much easier than that of each end composition, and well-sintered high-density ceramics were obtained for the compositions near the morphotropic transformation. Piezoelectric ceramics with high relative dielectric constants, high radial coupling coefficient and low resonant resistance were obtained for the composition near the morphotropic transformation. The composition Pb(Sb1/2Nb1/2)0.075Ti0.45Zr0.475O3 showed the highest dielectric constant (ɛr=1690), and the composition Pb(Sb1/2Nb1/2)0.05Ti0.45Zr0.5O3 showed the highest radial coupling coefficient (kp=64%).

Efficient Vacuum-Deposited Ternary Organic Solar Cells with Broad Absorption, Energy Transfer, and Enhanced Hole Mobility.

PubMed

Shim, Hyun-Sub; Moon, Chang-Ki; Kim, Jihun; Wang, Chun-Kai; Sim, Bomi; Lin, Francis; Wong, Ken-Tsung; Seo, Yongsok; Kim, Jang-Joo

2016-01-20

The use of multiple donors in an active layer is an effective way to boost the efficiency of organic solar cells by broadening their absorption window. Here, we report an efficient vacuum-deposited ternary organic photovoltaic (OPV) using two donors, 2-((2-(5-(4-(diphenylamino)phenyl)thieno[3,2-b]thiophen-2-yl)thiazol-5-yl)methylene)malononitrile (DTTz) for visible absorption and 2-((7-(5-(dip-tolylamino)thiophen-2-yl)benzo[c]-[1,2,5]thiadiazol-4-yl)methylene)malononitrile (DTDCTB) for near-infrared absorption, codeposited with C70 in the ternary layer. The ternary device achieved a power conversion efficiency of 8.02%, which is 23% higher than that of binary OPVs. This enhancement is the result of incorporating two donors with complementary absorption covering wavelengths of 350 to 900 nm with higher hole mobility in the ternary layer than that of binary layers consisting of one donor and C70, combined with energy transfer from the donor with lower hole mobility (DTTz) to that with higher mobility (DTDCTB). This structure fulfills all the requirements for efficient ternary OPVs.

Synthesis and properties of ternary mixture of nickel/cobalt/tin oxides for supercapacitors

NASA Astrophysics Data System (ADS)

Ferreira, C. S.; Passos, R. R.; Pocrifka, L. A.

2014-12-01

The present study reports the synthesis and morphological, structural and electrochemical characterization of ternary oxides mixture containing nickel, cobalt and tin. The ternary oxide is synthesized by Pechini method with subsequent deposition onto a titanium substrate in a thin-film form. XRD and EDS analysis confirm the formation of ternary film with amorphous nature. SEM analysis show that cracks on the film favor the gain of the surface area that is an interesting feature for electrochemical capacitors. The ternary film is investigated in KOH electrolyte solution using cyclic voltammetry and charge-discharge study with a specific capacitance of 328 F g-1, and a capacitance retention of 86% over 600 cycles. The values of specific power and specific energy was 345.7 W kg-1 and 18.92 Wh kg-1, respectively.

Compression behavior of quaternary and higher order solid-solution L1(2) trialuminides

NASA Technical Reports Server (NTRS)

Kumar, K. S.; Brown, S. A.

1992-01-01

Results from preliminary studies undertaken to evaluate the existence of single-phase L1(2) solid solutions between pairs of ternary L1(2) trialuminides are presented. Two-kilogram ingots of selected quaternary compositions were cast, homogenized and forged into pancakes; compression specimens were machined from the forgings and tested as a function of temperature. The results are compared against existing data for the ternary alloys. The ternary L1(2) trialuminides Al66Ti25Mn9, Al67Ti25Cr8, and Al22Ti8Fe3 were found to exhibit continuous solubility in one another. The quaternary Cr-Mn composition does not indicate any strength advantage over its ternary counterparts. The continuous replacement of Mn with Fe enhances the strength of the quaternary compound over the ternary Al66Ti25 Mn9.

Variable diffusion rates during exsolution coarsening in the presence of fluids.

NASA Astrophysics Data System (ADS)

Putnis, Andrew; Prent, Alexander

2017-04-01

The scale of exsolution textures in mineral solid solutions has long been used as an indicator of thermal history during cooling. The theory of spinodal decomposition in an anisotropic solid and subsequent coarsening of exsolution textures as a function of temperature and cooling rate is well developed (see Petrishcheva et al., 2009 and Abart et al., 2009 for a review of the Cahn-Hilliard theory). For the case of exsolution in the alkali feldspar solid solution [(Na,K)AlSi3O8] the characteristic texture shows compositional fluctuations in Na,K with a wavelength that depends on the cooling rate. The cooling rate is determined from knowledge of the Na-K interdiffusion coefficient, assuming that the unmixing is simply due to the interdiffusion of Na and K in an otherwise fixed tetrahedral Al,Si framework. Cryptoperthites and mesoperthites with a periodic lamellar microstructure are considered to be the end-result of such a solid-state exsolution process. Later-stage fluid infiltration results in patch perthites that are formed at a sharp replacement front by a dissolution-precipitation mechanism (Parsons et al., 2015). Patch perthites have an easily recognizable texture and are clear indicators of a reaction with an aqueous solution. The distinction is thus drawn between crypto- and meso-perthite showing periodic lamellae, associated with a solid-state exsolution process, and the patch perthite showing irregular domains of Na-rich and K-rich feldspars associated with a fluid mediated reprecipitation process. However, the presence of fluids can also enhance the coarsening of lamellar exsolution textures, retaining an apparently solid-state microstructure but with a length scale that is dependent on local recrystallization driven by fluid infiltration. Examples will be given from alkali feldspars in granitic rocks where it is clearly demonstrable that cooling rates cannot be inferred from such exsolution textures. The variability in Na,K diffusion rates and thus different length scales of exsolution are likely to be due to the efficiency of diffusional transport through a fluid phase, which is influenced by differences in fluid-induced micro- and nano-porosity. Abart R. et al. (2009) Am. J. Sci. 309, 450-475. Petrishcheva E. and Abart R. (2009) Am. J. Sci, 309, 431-449. Parsons I. et al., (2015) Am. Min. 100, 1277-1303.

Effect of guest drug character encapsulated in the cavity and intermolecular spaces of γ-cyclodextrins on the dissolution property of ternary γ-cyclodextrin complex.

PubMed

Liu, Nan; Higashi, Kenjirou; Ueda, Keisuke; Moribe, Kunikazu

2017-10-15

Various ternary Guest 2/(Guest 1/γ-cyclodextrin (CD)) complexes were prepared using a cogrinding and subsequent heating method, wherein Guest 1 was incorporated in the cavity of γ-CD and Guest 2 was incorporated into the intermolecular spaces between γ-CD columns. Dissolution fluxes of Guest 1 and Guest 2 from all ternary complexes were almost identical. The dissolution flux of flurbiprofen (Guest 1) from the ternary complexes depended on the solubility of Guest 2 drugs (naproxen

Structural evaluation of crystalline ternary γ-cyclodextrin complex.

PubMed

Higashi, Kenjirou; Ideura, Saori; Waraya, Haruka; Moribe, Kunikazu; Yamamoto, Keiji

2011-01-01

The structure of a crystalline γ-cyclodextrin (γ-CD) ternary complex containing salicylic acid (SA) and flurbiprofen (FBP) prepared by sealed heating was investigated. FBP/γ-CD inclusion complex was prepared by coprecipitation; its molar ratio was determined as 1/1. Powder X-ray diffraction measurements showed that the molecular packing of γ-CD changed from hexagonal to monoclinic columnar form by sealed heating of SA with dried FBP/γ-CD inclusion complex, indicating ternary complex formation. The stoichiometry of SA/FBP/γ-CD was estimated as 2/1/1. Solid-state transformation of γ-CD molecular packing upon water vapor adsorption and desorption was irreversible for this ternary complex, in contrast to the reversible transition for the FBP/γ-CD inclusion complex. The ternary complex contained one FBP molecule in the cavity of γ-CD and two SA molecules in the intermolecular space between neighboring γ-CD column stacks. Infrared and (13) C solid-state NMR spectroscopies revealed that the molecular states of SA and FBP changed upon ternary complex formation. In the complex, dimer FBP molecules were sandwiched between two γ-CD molecules whereas each monomer SA molecule was present in the intermolecular space of γ-CD. Ternary complex formation was also observed for other drug-guest systems using naproxen and ketoprofen. Thus, the complex can be used to formulate variety of drugs. Copyright © 2010 Wiley-Liss, Inc. and the American Pharmacists Association

Silk flame retardant finish by ternary silica sol containing boron and nitrogen

NASA Astrophysics Data System (ADS)

Zhang, Qiang-hua; Chen, Guo-qiang; Xing, Tie-ling

2017-11-01

A ternary flame retardant sol system containing Si, B and N was prepared via sol gel method using tetraethoxysilane (TEOS) as a precursor, boric acid (H3BO3) and urea (CO(NH2)2) as flame retardant additives and then applied to silk fabric flame retardant finish. The FT-IR and SEM results showed that the nitrogen-boron-silica ternary sol was successfully prepared and entrapped onto the surface of silk fibers. The limiting oxygen index (LOI) test indicated that the silk fabric treated with 24% boric acid and 6% urea (relative to the TEOS) doped ternary silica sol system performed excellent flame retardancy with the LOI value of 34.6%. Furthermore, in order to endow silk fabric with durable flame retardancy, the silk fabric was pretreated with 1,2,3,4-butanetetracarboxylic acid (BTCA) before the ternary sol system treatment. The BTCA pretreat ment applied to silk could effectively promote the washing durability of the ternary sol, and the LOI value of the treated sample after 10 times washing could still maintain at 30.8% compared with that of 31.0% before washing. Thermo gravimetric (TG), micro calorimeter combustion (MCC) and smoke density test results demonstrated that the thermal stability, heat release and smoke suppression of the nitrogen-boron-silica ternary system decreased somewhat compared with the boron-silica binary flame retardant system.

Using a Ternary Diagram to Display a System's Evolving Energy Distribution

ERIC Educational Resources Information Center

Brazzle, Bob; Tapp, Anne

2016-01-01

A ternary diagram is a graphical representation used for systems with three components. They are familiar to mineralogists (who typically use them to categorize varieties of solid solution minerals such as feldspar) but are not yet widely used in the physics community. Last year the lead author began using ternary diagrams in his introductory…

[Spectral Analysis of CdZnSe Ternary Quantum Dots Sensitized TiO2 Tubes and Its Application in Visible-Light Photocatalysis].

PubMed

Han, Zhi-zhong; Ren, Li-li; Pan, Hai-bo; Li, Chun-yan; Chen, Jing-hua; Chen, Jian-zhong

2015-11-01

In this work, cadmium nitrate hexahydrate [Cd(NO₃)₂ · 6H₂O] is as a source of cadmium, zinc nitrate [Zn(NO₃)₂] as a source of zinc source, and NaHSe as a source of selenium which was prepared through reducing the elemental selenium with sodium borohydride (NaBH₄). Then water-soluble Cd₁₋xZnxSe ternary quantum dots with different component were prepared by colloid chemistry. The as-prepared Cd₁₋xZnx Se ternary quantum dots exhibit stable fluorescent property in aqueous solution, and can still maintain good dispersivity at room temperature for four months. Powder X-ray diffraction (XRD) and high resolution transmission electron microscope (HRTEM) were used to analyze crystal structure and morphology of the prepared Cd₁₋xZnxSe. It is found that the as-prepared ternary quantum dots are cubic phase, show as sphere, and the average of particle size is approximate 4 nm. The spectral properties and energy band structure of the as-prepared ternary quantum dots were modulated through changing the atom ratio of elements Zn and Cd. Compared with binary quantum dots CdSe and ZnSe, the ultraviolet-visible (UV-Visible) absorption spectrum and fluorescence (FL) emission spectrum of ternary quantum dots are both red-shift. The composites (Cd₀.₅ Zn₀.₅ Se@TNTs) of Cd₀.₅ Zn₀.₅ Se ternary quantum dots and TiO₂ nanotubes (TNTs) were prepared by directly immerging TNTs into quantum dots dispersive solution for 5 hours. TEM image shows that the Cd₀.₅ Zn₀.₅ Se ternary quantum dots were closely combined to nanotube surface. The infrared spectra show that the Ti-Se bond was formed between Cd₀.₅ Zn₀.₅ Se ternary quantum dots and TiO₂ nanotubes, which improve the stability of the composite. Compared to pristine TNTs, UV-Visible absorption spectrum of the composites is significantly enhanced in the visible region of light. And the absorption band edge of Cd₀.₅Zn₀.₅ Se@TNTs red-shift from 400 to 700 nm. The recombination of the photogenerated electron-hole pairs was restrained with the as-prepared ternary quantum dots. Therefore, the visible-light photocatalytic efficiency was greatly improved. After visible-light irradiation for 60 min, the degradation of Cd₀.₅ Zn₀.₅ Se@TNTs photocatalysts for RhB is nearly 100%, which is about 3. 3 times of that of pristine TNTs and 2. 5 times of that of pure Cd₀.₅ Zn₀.₅ Se ternary quantum dots, respectively.

Novel ternary composites: Preparation, performance and application of ZnFe2O4/TiO2/polyaniline

NASA Astrophysics Data System (ADS)

Li, Juanbi; Xiao, Qiushi; Li, Liangchao; Shen, Junhai; Hu, Diqiong

2015-03-01

A series of ZnFe2O4/TiO2/polyaniline ternary composites with excellent photocatalytic activity were successfully synthesized by chemical method. The phase composition, morphology, conductivity, electrical and magnetic performances of the as-samples were characterized by means of modern measurement technology. And the photocatalytic degradation activity tests for the samples were estimated using rhodamine B (RhB) and methyl orange (MO) as targeted pollutants. The results indicated that there existed some interactions between each component in the ternary composites, and the electrical conductivities and photocatalytic degradation activities of the ternary composites were improved due to the coating of polyaniline. Moreover, when the mass fraction of aniline was up to 50%, the ternary composite exhibited a great decontaminating (including photocatalytic degradation and adsorption) activity of on both MO and RhB and displayed an excellent reusability.

Extraction and characterization of ternary complexes between natural organic matter, cations, and oxyanions from a natural soil.

PubMed

Peel, Hannah R; Martin, David P; Bednar, Anthony J

2017-06-01

Natural organic matter (NOM) can have a significant influence on the mobility and fate of inorganic oxyanions, such as arsenic and selenium, in the environment. There is evidence to suggest that interactions between NOM and these oxyanions are facilitated by bridging cations (primarily Fe 3+ ) through the formation of ternary complexes. Building on previous work characterizing ternary complexes formed in the laboratory using purified NOM, this study describes the extraction and characterization of intact ternary complexes directly from a soil matrix. The complexes are stable to the basic extraction conditions (pH 12) and do not appear to change when the pH of the extract is adjusted back to neutral. The results suggest that ternary complexes between NOM, cations, and inorganic oxyanions exist in natural soils and could play a role in the speciation of inorganic oxyanions in environmental matrices. Published by Elsevier Ltd.

Synthesis and characterization of CdS-based ternary composite for enhanced visible light-driven photocatalysis

NASA Astrophysics Data System (ADS)

Singh, Arvind; Sinha, A. S. K.

2018-09-01

Active ternary graphite and alumina-supported cadmium sulphide (CdS) composite was synthesized by impregnation method followed by high-temperature solid-gas reaction and characterized by X-ray diffraction (XRD), photoluminescence spectroscopy (PL), diffuse reflectance spectroscopy (DRS), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDX) and X-ray photoelectron spectroscopy (XPS) techniques. The ternary CdS-graphite-alumina composite exhibited superior catalytic activity compared with the binary CdS-alumina composite due to its better visible-light absorption and higher charge separation. The ternary composite has a bed-type structure. It permits a greater interaction at the interface due to intimate contact between CdS and graphite in the ternary composite. This composite has a highly efficient visible light-driven photocatalytic activity for sustainable hydrogen production. It is also capable of degrading organic dyes in wastewater.

Organic Solar Cells beyond One Pair of Donor-Acceptor: Ternary Blends and More.

PubMed

Yang, Liqiang; Yan, Liang; You, Wei

2013-06-06

Ternary solar cells enjoy both an increased light absorption width, and an easy fabrication process associated with their simple structures. Significant progress has been made for such solar cells with demonstrated efficiencies over 7%; however, their fundamental working principles are still under investigation. This Perspective is intended to offer our insights on the three major governing mechanisms in these intriguing ternary solar cells: charge transfer, energy transfer, and parallel-linkage. Through careful analysis of exemplary cases, we summarize the advantages and limitations of these three major mechanisms and suggest future research directions. For example, incorporating additional singlet fission or upconversion materials into the energy transfer dominant ternary solar cells has the potential to break the theoretical efficiency limit in single junction organic solar cells. Clearly, a feedback loop between fundamental understanding and materials selection is in urgent need to accelerate the efficiency improvement of these ternary solar cells.

Early age strength increase of fly ash blended cement by a ternary hardening accelerating admixture

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

Hoang, Kien; Justnes, Harald; SINTEF Building and Infrastructure

The applicability of a combination of sodium thiocyanate (NaSCN), diethanolamine (DEA) and glycerol (Gly) with small dosages as a ternary hardening accelerating admixture for fly ash blended cement (OPC-FA) was studied. The ternary admixture induced higher early and later age mortar strength at both low (5 °C) and normal (20 °C) temperature. Despite used in lower dosage the ternary admixture led to higher strength of the investigated OPC-FA system than other chemicals (e.g. sodium sulfate). Results obtained from isothermal calorimetry, thermogravimetric analysis (TGA) and X-ray diffraction (XRD) showed that the ternary admixture accelerated the cement hydration and increased the amountmore » of AFm (notably calcium hemicarboaluminate hydrate) in the hydration products. A synergistic effect between the three components of the accelerator on the hydration of OPC-FA system was observed.« less

Core@shell@shell structured carbon-based magnetic ternary nanohybrids: Synthesis and their enhanced microwave absorption properties

NASA Astrophysics Data System (ADS)

Yang, Erqi; Qi, Xiaosi; Xie, Ren; Bai, Zhongchen; Jiang, Yang; Qin, Shuijie; Zhong, Wei; Du, Youwei

2018-05-01

High encapsulation efficiency of core@shell@shell structured carbon-based magnetic ternary nanohybrids have been synthesized in high yield by chemical vapor deposition of acetylene directly over octahedral-shaped Fe2O3 nanoparticles. By controlling the pyrolysis temperature, Fe3O4@Fe3C@carbon nanotubes (CNTs) and Fe@Fe3C@CNTs ternary nanohybrids could be selectively produced. The optimal RL values for the as-prepared ternary nanohybrids could reach up to ca. -46.7, -52.7 and -29.5 dB, respectively. The excellent microwave absorption properties of the obtaiend ternary nanohybrids were proved to ascribe to the quarter-wavelength matching model. Moreover, the as-prepared Fe@Fe3C@CNTs ternary nanohybrids displayed remarkably enhanced EM wave absorption capabilities compared to Fe3O4@Fe3C@CNTs due to their excellent dielectric loss abilities, good complementarities between the dielectric loss and the magnetic loss, and high attenuation constant. Generally, this strategy can be extended to explore other categories of core@shell or core@shell@shell structured carbon-based nanohybrids, which is very beneficial to accelerate the advancements of high performance MAMs.

Optimization of chemical vapor deposition diamond films growth on steel: correlation between mechanical properties, structure, and composition.

PubMed

Laikhtman, A; Rapoport, L; Perfilyev, V; Moshkovich, A; Akhvlediani, R; Hoffman, A

2011-09-01

In the present work we perform optimization of mechanical and crystalline properties of CVD microcrystalline diamond films grown on steel substrates. A chromium-nitride (Cr-N) interlayer had been previously proposed to serve as a buffer for carbon and iron inter-diffusion and as a matching layer for the widely differing expansion coefficients of diamond and steel. However, adhesion and wear as well as crystalline perfection of diamond films are strongly affected by conditions of both Cr-N interlayer preparation and CVD diamond deposition. In this work we assess the effects of two parameters. The first one is the temperature of the Cr-N interlayer preparation: temperatures in the range of 500 degrees C-800 degrees C were used. The second one is diamond film thickness in the 0.5 microm-2 microm range monitored through variation of the deposition time from approximately 30 min to 2 hours. The mechanical properties of so deposited diamond films were investigated. For this purpose, scratch tests were performed at different indentation loads. The friction coefficient and wear loss were assessed. The mechanical and tribological properties were related to structure, composition, and crystalline perfection of diamond films which were extensively analyzed using different microscopic and spectroscopic techniques. It was found that relatively thick diamond film deposited on the Cr-N interlayer prepared at the temperature similar to that of the CVD process has the best mechanical and adhesion strength. This film was stable without visible cracks around the wear track during all scratch tests with different indentation loads. In other cases, cracking and delamination of the films took place at low to moderate indentation loads.

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers.

PubMed

Davies, James F; Wilson, Kevin R

2016-02-16

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. We present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D2O/H2O) to measure the water diffusion coefficient over a broad range (Dw ≈ 10(-12)-10(-17) m(2)·s(-1)) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO4). For the organic liquids in binary and ternary mixtures, Dw depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, Dw can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.

Raman Spectroscopy of Isotopic Water Diffusion in Ultraviscous, Glassy, and Gel States in Aerosol by Use of Optical Tweezers

DOE PAGES

Davies, James F.; Wilson, Kevin R.

2016-01-11

The formation of ultraviscous, glassy, and amorphous gel states in aqueous aerosol following the loss of water results in nonequilibrium dynamics due to the extended time scales for diffusive mixing. Existing techniques for measuring water diffusion by isotopic exchange are limited by contact of samples with the substrate, and methods applied to infer diffusion coefficients from mass transport in levitated droplets requires analysis by complex coupled differential equations to derive diffusion coefficients. Here, we present a new technique that combines contactless levitation with aerosol optical tweezers with isotopic exchange (D 2O/H 2O) to measure the water diffusion coefficient over amore » broad range (D w ≈ 10 -12-10 -17 m 2s -1) in viscous organic liquids (citric acid, sucrose, and shikimic acid) and inorganic gels (magnesium sulfate, MgSO 4). For the organic liquids in binary and ternary mixtures, D w depends on relative humidity and follows a simple compositional Vignes relationship. In MgSO 4 droplets, water diffusivity decreases sharply with water activity and is consistent with predictions from percolation theory. These measurements show that, by combining micrometer-sized particle levitation (a contactless measurement with rapid mixing times) with an established probe of water diffusion, D w can be simply and directly quantified for amorphous and glassy states that are inaccessible to existing methods.« less

Phase Relations in Ternary Systems in the Subsolidus Region: Methods to Formulate Solid Solution Equations and to Find Particular Compositions

ERIC Educational Resources Information Center

Alvarez-Montan~o, Victor E.; Farías, Mario H.; Brown, Francisco; Mun~oz-Palma, Iliana C.; Cubillas, Fernando; Castillon-Barraza, Felipe F.

2017-01-01

A good understanding of ternary phase diagrams is required to advance and/or to reproduce experimental research in solid-state and materials chemistry. The aim of this paper is to describe the solutions to problems that appear when studying or determining ternary phase diagrams. A brief description of the principal features shown in phase diagrams…

Thermal diffusion behavior of nonionic surfactants in water.

PubMed

Ning, Hui; Kita, Rio; Kriegs, Hartmut; Luettmer-Strathmann, Jutta; Wiegand, Simone

2006-06-08

We studied the thermal diffusion behavior of hexaethylene glycol monododecyl ether (C12E6) in water by means of thermal diffusion forced Rayleigh scattering (TDFRS) and determined Soret coefficients, thermal diffusion coefficients, and diffusion constants at different temperatures and concentrations. At low surfactant concentrations, the measured Soret coefficient is positive, which implies that surfactant micelles move toward the cold region in a temperature gradient. For C12E6/water at a high surfactant concentration of w1 = 90 wt % and a temperature of T = 25 degrees C, however, a negative Soret coefficient S(T) was observed. Because the concentration part of the TDFRS diffraction signal for binary systems is expected to consist of a single mode, we were surprised to find a second, slow mode for C12E6/water system in a certain temperature and concentration range. To clarify the origin of this second mode, we investigated also, tetraethylene glycol monohexyl ether (C6E4), tetraethylene glycol monooctyl ether (C8E4), pentaethylene glycol monododecyl ether (C12E5), and octaethylene glycol monohexadecyl ether (C16E8) and compared the results with the previous results for octaethylene glycol monodecyl ether (C10E8). Except for C6E4 and C10E8, a second slow mode was observed in all systems usually for state points close to the phase boundary. The diffusion coefficient and Soret coefficient derived from the fast mode can be identified as the typical mutual diffusion and Soret coefficients of the micellar solutions and compare well with the independently determined diffusion coefficients in a dynamic light scattering experiment. Experiments with added salt show that the slow mode is suppressed by the addition of w(NaCl) = 0.02 mol/L sodium chloride. This suggests that the slow mode is related to the small amount of absorbing ionic dye, less than 10(-5) by weight, which is added in TDFRS experiments to create a temperature grating. The origin of the slow mode of the TDFRS signal will be tentatively interpreted in terms of a ternary mixture of neutral micelles, dye-charged micelles, and water.

Microstructural development from interdiffusion and reaction between U–Mo and AA6061 alloys annealed at 600° and 550 °C

DOE PAGES

Perez, E.; Keiser, D. D.; Sohn, Y. H.

2016-05-10

The U.S. Material Management and Minimization Reactor Conversion Program is developing low enrichment fuel systems encased in Al-alloy for use in research and test reactors. Monolithic fuel plates have local regions where the Usingle bondMo fuel plate may come into contact with the Al-alloy 6061 (AA6061) cladding. This results in the development of interdiffusion zones with complex microstructures with multiple phases. In this study, the microstructural development of diffusion couples, U–7 wt%Mo, U–10 wt%Mo, and U–12 wt%Mo vs. AA6061, annealed at 600 °C for 24 h and at 550 °C for 1, 5, and 20 h, were analyzed by scanningmore » electron microscopy with x-ray energy dispersive spectroscopy. The microstructural development and kinetics were compared to diffusion couples U–Mo vs. high purity Al and binary Al–Si alloys. As a result, the diffusion couples developed complex interaction regions where phase development was influenced by the alloying additions of the AA6061.« less

Vanadium diffusion coating on HT-9 cladding for mitigating the fuel cladding chemical interactions

NASA Astrophysics Data System (ADS)

Lo, Wei-Yang; Yang, Yong

2014-08-01

Fuel cladding chemical interaction (FCCI) has been identified as one of the crucial issues for developing Ferritic/Martensitic (F/M) stainless steel claddings for metallic fuels in a fast reactor. The anticipated elevated temperature and high neutron flux can significantly aggravate the FCCI, in terms of formation of inter-diffusion and lower melting point eutectic phases. To mitigate the FCCI, vanadium carbide coating as a diffusion barrier was deposited on the HT-9 substrate using a pack cementation diffusion coating (PCDC) method, and the processing temperature was optimized down to 730 °C. A solid metallurgical bonding between the coating layer and substrate was achieved, and the coating is free from through depth cracks. The microstructural characterizations using SEM and TEM show a nanostructured grain structure. EDS/WDS and XRD analysis confirm the phase of coating layer as V2C. Diffusion couple tests at 660 °C for 100 h demonstrate that V2C layer with a thickness of less than 5 μm can effectively eliminate the inter-diffusion between the lanthanide cerium and HT-9 steel.

Solid Liquid Interdiffusion Bonding of Zn4Sb3 Thermoelectric Material with Cu Electrode

NASA Astrophysics Data System (ADS)

Lin, Y. C.; Lee, K. T.; Hwang, J. D.; Chu, H. S.; Hsu, C. C.; Chen, S. C.; Chuang, T. H.

2016-10-01

The ZnSb intermetallic compound may have thermoelectric applications because it is low in cost and environmentally friendly. In this study, a Zn4Sb3 thermoelectric element coated with a Ni barrier layer and a Ag reaction layer was bonded with a Ag-coated Cu electrode using a Ag/Sn/Ag solid-liquid interdiffusion bonding process. The results indicated that a Ni5Zn21 intermetallic phase formed easily at the Zn4Sb3/Ni interface, leading to sound adhesion. In addition, Sn film was found to react completely with the Ag layer to form a Ag3Sn intermetallic layer having a melting point of 480°C. The resulting Zn4Sb3 thermoelectric module can be applied at the optimized operation temperature (400°C) of Zn4Sb3 material as a thermoelectric element. The bonding strengths ranged from 14.9 MPa to 25.0 MPa, and shear tests revealed that the Zn4Sb3/Cu-joints fractured through the interior of the thermoelectric elements.

Hydrogen storage compositions

DOEpatents

Li, Wen; Vajo, John J.; Cumberland, Robert W.; Liu, Ping

2011-04-19

Compositions for hydrogen storage and methods of making such compositions employ an alloy that exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The composition includes a ternary alloy including magnesium, boron and a metal and a metal hydride. The ternary alloy and the metal hydride are present in an amount sufficient to render the composition capable of hydrogen storage. The molar ratio of the metal to magnesium and boron in the alloy is such that the alloy exhibits reversible formation/deformation of BH.sub.4.sup.- anions. The hydrogen storage composition is prepared by combining magnesium, boron and a metal to prepare a ternary alloy and combining the ternary alloy with a metal hydride to form the hydrogen storage composition.

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

Wang, Yanli; Juranek, Stefan; Li, Haitao

Here we report on a 3.0 {angstrom} crystal structure of a ternary complex of wild-type Thermus thermophilus argonaute bound to a 5'-phosphorylated 21-nucleotide guide DNA and a 20-nucleotide target RNA containing cleavage-preventing mismatches at the 10-11 step. The seed segment (positions 2 to 8) adopts an A-helical-like Watson-Crick paired duplex, with both ends of the guide strand anchored in the complex. An arginine, inserted between guide-strand bases 10 and 11 in the binary complex, locking it in an inactive conformation, is released on ternary complex formation. The nucleic-acid-binding channel between the PAZ- and PIWI-containing lobes of argonaute widens on formationmore » of a more open ternary complex. The relationship of structure to function was established by determining cleavage activity of ternary complexes containing position-dependent base mismatch, bulge and 2'-O-methyl modifications. Consistent with the geometry of the ternary complex, bulges residing in the seed segments of the target, but not the guide strand, were better accommodated and their complexes were catalytically active.« less

Bactericidal action of binary and ternary mixtures of carvacrol, thymol, and eugenol against Listeria innocua.

PubMed

García-García, Rebeca; López-Malo, Aurelio; Palou, Enrique

2011-03-01

The bactericidal effect of 3 natural agents (carvacrol, thymol, and eugenol) was evaluated as well as their binary and ternary mixtures on Listeria innocua inactivation in liquid model systems. Minimal bactericidal concentrations (MBC) of these agents were determined, and then binary and ternary mixtures were evaluated. Culture media were inoculated with L. innocua and incubated for 72 h at 35 °C. Turbidity of studied systems were determined every 24 h. The most effective individual antimicrobial agent was carvacrol, followed by thymol and then eugenol with MBCs of 150, 250, and 450 mg kg(-1), respectively. It was observed that the most effective binary mixture was 75 mg kg(-1) carvacrol and 62.5 mg kg(-1) thymol. Furthermore, the ternary mixture carvacrol-thymol-eugenol in concentrations of 75, 31.25, and 56.25 mg kg(-1), correspondingly, was the most effective for L. innocua inactivation. Several binary and ternary mixtures of these 3 natural antimicrobial agents worked adequately to inactivate L. innocua.

Temperature Dependence of Densities and Excess Molar Volumes of the Ternary Mixture (1-Butanol + Chloroform + Benzene) and its Binary Constituents (1-Butanol + Chloroform and 1-Butanol + Benzene)

NASA Astrophysics Data System (ADS)

Smiljanić, Jelena D.; Kijevčanin, Mirjana Lj.; Djordjević, Bojan D.; Grozdanić, Dušan K.; Šerbanović, Slobodan P.

2008-04-01

Densities ρ of the 1-butanol + chloroform + benzene ternary mixture and the 1-butanol + chloroform and 1-butanol + benzene binaries have been measured at six temperatures (288.15, 293.15, 298.15, 303.15, 308.15, and 313.15) K and atmospheric pressure, using an oscillating U-tube densimeter. From these densities, excess molar volumes ( V E) were calculated and fitted to the Redlich Kister equation for all binary mixtures and to the Nagata and Tamura equation for the ternary system. The Radojković et al. equation has been used to predict excess molar volumes of the ternary mixtures. Also, V E data of the binary systems were correlated by the van der Waals (vdW1) and Twu Coon Bluck Tilton (TCBT) mixing rules coupled with the Peng Robinson Stryjek Vera (PRSV) equation of state. The prediction and correlation of V E data for the ternary system were performed by the same models.

Elongation Factor Ts Directly Facilitates the Formation and Disassembly of the Escherichia coli Elongation Factor Tu·GTP·Aminoacyl-tRNA Ternary Complex*

PubMed Central

Burnett, Benjamin J.; Altman, Roger B.; Ferrao, Ryan; Alejo, Jose L.; Kaur, Navdep; Kanji, Joshua; Blanchard, Scott C.

2013-01-01

Aminoacyl-tRNA enters the translating ribosome in a ternary complex with elongation factor Tu (EF-Tu) and GTP. Here, we describe bulk steady state and pre-steady state fluorescence methods that enabled us to quantitatively explore the kinetic features of Escherichia coli ternary complex formation and decay. The data obtained suggest that both processes are controlled by a nucleotide-dependent, rate-determining conformational change in EF-Tu. Unexpectedly, we found that this conformational change is accelerated by elongation factor Ts (EF-Ts), the guanosine nucleotide exchange factor for EF-Tu. Notably, EF-Ts attenuates the affinity of EF-Tu for GTP and destabilizes ternary complex in the presence of non-hydrolyzable GTP analogs. These results suggest that EF-Ts serves an unanticipated role in the cell of actively regulating the abundance and stability of ternary complex in a manner that contributes to rapid and faithful protein synthesis. PMID:23539628

Effects of Chain Length and Degree of Unsaturation of Fatty Acids on Structure and in Vitro Digestibility of Starch-Protein-Fatty Acid Complexes.

PubMed

Zheng, Mengge; Chao, Chen; Yu, Jinglin; Copeland, Les; Wang, Shuo; Wang, Shujun

2018-02-28

The effects of chain length and degree of unsaturation of fatty acids (FAs) on structure and in vitro digestibility of starch-protein-FA complexes were investigated in model systems. Studies with the rapid visco analyzer (RVA) showed that the formation of ternary complex resulted in higher viscosities than those of binary complex during the cooling and holding stages. The results of differential scanning calorimetry (DSC), Raman, and X-ray diffraction (XRD) showed that the structural differences for ternary complexes were much less than those for binary complexes. Starch-protein-FA complexes presented lower in vitro enzymatic digestibility compared with starch-FAs complexes. We conclude that shorter chain and lower unsaturation FAs favor the formation of ternary complexes but decrease the thermal stability of these complexes. FAs had a smaller effect on the ordered structures of ternary complexes than on those of binary complexes and little effect on enzymatic digestibility of both binary and ternary complexes.

Characterization of the Ternary Compound Pd5Pt3Ni2 for PEMFC Cathode Electrocatalysts

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

Jarvis, Karalee; Zhao, J; Allard Jr, Lawrence Frederick

2010-01-01

Research on proton exchange membrane fuel cells (PEMFC) has increased over the last decade due to an increasing demand for alternative energy solutions. Most PEMFCs use Pt on carbon support as electrocatalysts for oxygen reduction reactions (ORR) [1]. Due to the high cost of Pt, there is a strong drive to develop less expensive catalysts that meet or exceed the performance of Pt. Binary and ternary Pt alloys with less expensive metals are a possible route [1]. In this work, a ternary alloy with composition Pd5Pt3Ni2 was studied as a potential cathode material. Preliminary results showed similar catalytic performance tomore » pure Pt in single-cell tests. However, to enhance its performance, it is necessary to understand how this ternary catalyst behaves during fuel cell operation. Various electron microscopy techniques were used to characterize the ternary Pd5Pt3Ni2 catalysts within the membrane-electrode assembly (MEA) both before and after fuel cell operation.« less

Effect of Ni-Co Ternary Molten Salt Catalysts on Coal Catalytic Pyrolysis Process

NASA Astrophysics Data System (ADS)

Cui, Xin; Qi, Cong; Li, Liang; Li, Yimin; Li, Song

2017-08-01

In order to facilitate efficient and clean utilization of coal, a series of Ni-Co ternary molten salt crystals are explored and the catalytic pyrolysis mechanism of Datong coal is investigated. The reaction mechanisms of coal are achieved by thermal gravimetric analyzer (TGA), and a reactive kinetic model is constructed. The microcosmic structure and macerals are observed by scanning electron microscope (SEM). The catalytic effects of ternary molten salt crystals at different stages of pyrolysis are analyzed. The experimental results show that Ni-Co ternary molten salt catalysts have the capability to bring down activation energy required by pyrolytic reactions at its initial phase. Also, the catalysts exert a preferable catalytic action on macromolecular structure decomposition and free radical polycondensation reactions. Furthermore, the high-temperature condensation polymerization is driven to decompose further with a faster reaction rate by the additions of Ni-Co ternary molten salt crystal catalysts. According to pyrolysis kinetic research, the addition of catalysts can effectively decrease the activation energy needed in each phase of pyrolysis reaction.

The Cu-Li-Sn Phase Diagram: Isopleths, Liquidus Projection and Reaction Scheme

PubMed Central

Flandorfer, Hans

2016-01-01

The Cu-Li-Sn phase diagram was constructed based on XRD and DTA data of 60 different alloy compositions. Eight ternary phases and 14 binary solid phases form 44 invariant ternary reactions, which are illustrated by a Scheil-Schulz reaction scheme and a liquidus projection. Phase equilibria as a function of concentration and temperature are shown along nine isopleths. This report together with an earlier publication of our group provides for the first time comprehensive investigations of phase equilibria and respective phase diagrams. Most of the phase equilibria could be established based on our experimental results. Only in the Li-rich part where many binary and ternary compounds are present estimations had to be done which are all indicated by dashed lines. A stable ternary miscibility gap could be found which was predicted by modelling the liquid ternary phase in a recent work. The phase diagrams are a crucial input for material databases and thermodynamic optimizations regarding new anode materials for high-power Li-ion batteries. PMID:27788175

Ternary boride product and process

NASA Technical Reports Server (NTRS)

Clougherty, Edward V. (Inventor)

1976-01-01

A hard, tough, strong ceramic body is formed by hot pressing a mixture of a powdered metal and a powdered metal diboride. The metal employed is zirconium, titanium or hafnium and the diboride is the diboride of a different member of the same group of zirconium, titanium or hafnium to form a ternary composition. During hot pressing at temperatures above about 2,000.degree.F., a substantial proportion of acicular ternary monoboride is formed.

Insight Into the Role of PC71BM on Enhancing the Photovoltaic Performance of Ternary Organic Solar Cells.

PubMed

Wang, Bei; Fu, Yingying; Yan, Chi; Zhang, Rui; Yang, Qingqing; Han, Yanchun; Xie, Zhiyuan

2018-01-01

The development of non-fullerene acceptor molecules have remarkably boosted power conversion efficiency (PCE) of polymer solar cells (PSCs) due to the improved spectral coverage and reduced energy loss. An introduction of fullerene molecules into the non-fullerene acceptor-based blend may further improve the photovoltaic performance of the resultant ternary PSCs. However, the underlying mechanism is still debatable. Herein, the ternary PSCs based on PBDB-T:ITIC:PC 71 BM blend were fabricated and its PCE was increased to 10.2% compared to 9.2% for the binary PBDB-T:ITIC devices and 8.1% for the PBDB-T:PC 71 BM PSCs. Systematic investigation was carried out to disclose the effect of PC 71 BM on the blend morphology and charge transport behavior. It is found that the PC 71 BM tends to intermix with the PBDB-T donor compared to the ITIC counterpart. A small amount of PC 71 BM in the ternary blend is helpful for ITIC to aggregate and form efficient electron-transport pathways. Accordingly, the electron mobility is increased and the density of electron traps is decreased in the ternary blend in comparison with the PBDB-T:ITIC blend. Finally, the suppressed bimolecular recombination and enhanced charge collection lead to high PCE for the ternary solar cells.

Preparation and properties of graphene oxide-regenerated cellulose/polyvinyl alcohol hydrogel with pH-sensitive behavior.

PubMed

Rui-Hong, Xie; Peng-Gang, Ren; Jian, Hui; Fang, Ren; Lian-Zhen, Ren; Zhen-Feng, Sun

2016-03-15

In this study, graphene oxide reinforced regenerated cellulose/polyvinyl alcohol (GO-RCE/PVA) ternary hydrogels were successfully prepared via a repeated freezing and thawing method in NaOH/urea aqueous solution. The effect of GO content on the mechanical properties, swelling behavior, water content of composite hydrogels was investigated. It was found that the mechanical properties of GO-RCE/PVA ternary hydrogels were largely enhanced relative to RCE/PVA hydrogels. With the addition of 1.0wt% GO, the tensile strength was increased by 40.4% from 0.52MPa to 0.73MPa, accompanied by the increase of the elongation at break (from 103% to 238%). Meanwhile, GO-RCE/PVA ternary hydrogels performed the excellent pH-sensitivity, and the higher pH leaded to higher swelling ratio. With 0.8wt% GO loading, the swelling ratio of GO-RCE/PVA ternary hydrogel was improved from 150% (pH=2) to 310% (pH=14). In addition, a slight increase in the water content of the ternary hydrogel was achieved with increasing concentrations of GO. It is believed that this novel ternary hydrogels is a promising material in the application of biomedical engineering and intelligent devices. Copyright © 2015 Elsevier Ltd. All rights reserved.

Thermodynamic Simulation of Viscosity of TiO2-Ti2O3-CaO Ternary Slag

NASA Astrophysics Data System (ADS)

Zhang, P.; Ma, W. H.; Zhang, S. J.; Lei, Y.; Wen, J. H.

2017-12-01

The viscosity of high titanium slag at high temperature is one of the key factors of slag-iron separation. Based on the Einstein-Roscoe equation, thermodynamic simulation of viscosity of TiO2-Ti2O3-CaO ternary slag is studied by using FactSage® software, and the effects of temperature, CaO content and solid-phase particles on the viscosity of slag were studied. The results show that the increase of CaO content has the effect of reducing melting temperature and viscosity of TiO2-Ti2O3-CaO ternary slag. After the TiO2-Ti2O3-CaO ternary slag is completely melted, the increase of temperature has little effect on viscosity of slag, and the viscosity is about 110~125mPa·s. When the temperature is lower than melting temperature, TiO2-Ti2O3-CaO ternary slag will precipitate solid-phase particles, and the precipitation process is carried out in stages, and with the decrease of temperature, the precipitation will increase and the viscosity will sharply increase. TiO2-Ti2O3-CaO ternary titanium slag has obvious characteristics of short slag.

Atomic-scale properties of Ni-based FCC ternary, and quaternary alloys

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

Tamm, Artur; Aabloo, Alvo; Klintenberg, Mattias

2015-08-26

The aim of our study is to characterize some atomic-scale properties of Ni-based FCC multicomponent alloys. For this purpose, we use Monte Carlo method combined with density functional theory calculations to study short-range order (SRO), atomic displacements, electronic density of states, and magnetic moments in equimolar ternary NiCrCo, and quaternary NiCrCoFe alloys. The salient features for the ternary alloy are a negative SRO parameter between Ni Cr and a positive between Cr Cr pairs as well as a weakly magnetic state. For the quaternary alloy we predict negative SRO parameter for Ni Cr and Ni Fe pairs and positive formore » Cr Cr and Fe Fe pairs. Atomic displacements for both ternary and quaternary alloys are negligible. In contrast to the ternary, the quaternary alloy shows a complex magnetic structure. The electronic structure of the ternary and quaternary alloys shows differences near the Fermi energy between a random solid solution and the predicted structure with SRO. Despite that, the calculated EXAFS spectra does not show enough contrast to discriminate between random and ordered structures. Finally, the predicted SRO has an impact on point-defect energetics, electron phonon coupling and thermodynamic functions and thus, SRO should not be neglected when studying properties of these two alloys.« less

Reduction-oxidation Enabled Glass-ceramics to Stainless Steel Bonding Part I: screening of doping oxidants

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

Dai, Steve Xunhu

Lithium silicate-based glass-ceramics with high coefficients of thermal expansion, designed to form matched hermetic seals in 304L stainless steel housing, show little evidence of interfacial chemical bonding, despite extensive inter-diffusion at the glass-ceramic-stainless steel (GC-SS) interface. A series of glass-ceramic compositions modified with a variety of oxidants, AgO, FeO, NiO, PbO, SnO, CuO, CoO, MoO 3 and WO 3, are examined for the feasibility of forming bonding oxides through reduction-oxidation (redox) at the GC-SS interface. The oxidants were selected according to their Gibbs free energy to allow for oxidation of Cr/Mn/Si from stainless steel, and yet to prevent a reductionmore » of P2O5 in the glass-ceramic where the P 2O 5 is to form Li 3PO 4 nuclei for growth of high expansion crystalline SiO 2 phases. Other than the CuO and CoO modified glass-ceramics, bonding from interfacial redox reactions were not achieved in the modified glass-ceramics, either because of poor wetting on the stainless steel or a reduction of the oxidants at the surface of glass-ceramic specimens rather than the GC-SS interface.« less

Fluid mechanical consequences of pendular activity, segmentation and pyloric outflow in the proximal duodenum of the rat and the guinea pig

PubMed Central

de Loubens, Clément; Lentle, Roger G.; Love, Richard J.; Hulls, Corrin; Janssen, Patrick W. M.

2013-01-01

We conducted numerical experiments to study the influence of non-propagating longitudinal and circular contractions, i.e. pendular activity and segmentation, respectively, on flow and mixing in the proximal duodenum. A lattice-Boltzmann numerical method was developed to simulate the fluid mechanical consequences for each of 22 randomly selected sequences of high-definition video of real longitudinal and radial contractile activity in the isolated proximal duodenum of the rat and guinea pig. During pendular activity in the rat duodenum, the flow was characterized by regions of high shear rate. Mixing was so governed by shearing deformation of the fluid that increased the interface between adjacent domains and accelerated their inter-diffusion (for diffusion coefficients approx. less than 10−8 m² s−1). When pendular activity was associated with a slow gastric outflow characteristic of post-prandial period, the dispersion was also improved, especially near the walls. Mixing was not promoted by isolated segmentative contractions in the guinea pig duodenum and not notably influenced by pylorus outflow. We concluded that pendular activity generates mixing of viscous fluids ‘in situ’ and accelerates the diffusive mass transfer, whereas segmentation may be more important in mixing particulate suspensions with high solid volume ratios. PMID:23536539

Fluid mechanical consequences of pendular activity, segmentation and pyloric outflow in the proximal duodenum of the rat and the guinea pig.

PubMed

de Loubens, Clément; Lentle, Roger G; Love, Richard J; Hulls, Corrin; Janssen, Patrick W M

2013-06-06

We conducted numerical experiments to study the influence of non-propagating longitudinal and circular contractions, i.e. pendular activity and segmentation, respectively, on flow and mixing in the proximal duodenum. A lattice-Boltzmann numerical method was developed to simulate the fluid mechanical consequences for each of 22 randomly selected sequences of high-definition video of real longitudinal and radial contractile activity in the isolated proximal duodenum of the rat and guinea pig. During pendular activity in the rat duodenum, the flow was characterized by regions of high shear rate. Mixing was so governed by shearing deformation of the fluid that increased the interface between adjacent domains and accelerated their inter-diffusion (for diffusion coefficients approx. less than 10(-8) m² s(-1)). When pendular activity was associated with a slow gastric outflow characteristic of post-prandial period, the dispersion was also improved, especially near the walls. Mixing was not promoted by isolated segmentative contractions in the guinea pig duodenum and not notably influenced by pylorus outflow. We concluded that pendular activity generates mixing of viscous fluids 'in situ' and accelerates the diffusive mass transfer, whereas segmentation may be more important in mixing particulate suspensions with high solid volume ratios.

Effect of Load on Friction-Wear Behavior of HVOF-Sprayed WC-12Co Coatings

NASA Astrophysics Data System (ADS)

Yifu, Jin; Weicheng, Kong; Tianyuan, Sheng; Ruihong, Zhang; Dejun, Kong

2017-07-01

A WC-12Co coating was sprayed on AISI H13 hot work mold steel using a high-velocity oxygen fuel. The morphologies, phase compositions, and distributions of chemical elements of the obtained coatings were analyzed using a field emission scanning electron microscope, x-ray diffraction, and energy-dispersive spectroscope (EDS), respectively. The friction-wear behaviors under different loads were investigated using a reciprocating wear tester; the morphologies and distributions of the chemical elements of worn tracks were analyzed using a SEM and its configured EDS, respectively. The results show the reunited grains of WC are held together by the Co binder; the primary phases of the coating are WC, Co, and a small amount of W2C and W, owing to the oxidation and decarburization of WC. Inter-diffusion of Fe and W between the coating and the substrate is shown, which indicates a good coating adhesion. The values of the average coefficient of friction under the loads of 40, 80, and 120 N are 0.29, 0.31, and 0.49, respectively. The WC grains are pulled out of the coating during the sliding wear test, but the coating maintains its integrity, suggesting that the coating is intact and continuously protects the substrate from wearing.

Diffusion of Magnetized Binary Ionic Mixtures at Ultracold Plasma Conditions

NASA Astrophysics Data System (ADS)

Vidal, Keith R.; Baalrud, Scott D.

2017-10-01

Ultracold plasma experiments offer an accessible means to test transport theories for strongly coupled systems. Application of an external magnetic field might further increase their utility by inhibiting heating mechanisms of ions and electrons and increasing the temperature at which strong coupling effects are observed. We present results focused on developing and validating a transport theory to describe binary ionic mixtures across a wide range of coupling and magnetization strengths relevant to ultracold plasma experiments. The transport theory is an extension of the Effective Potential Theory (EPT), which has been shown to accurately model correlation effects at these conditions, to include magnetization. We focus on diffusion as it can be measured in ultracold plasma experiments. Using EPT within the framework of the Chapman-Enskog expansion, the parallel and perpendicular self and interdiffusion coefficients for binary ionic mixtures with varying mass ratios are calculated and are compared to molecular dynamics simulations. The theory is found to accurately extend Braginskii-like transport to stronger coupling, but to break down when the magnetization strength becomes large enough that the typical gyroradius is smaller than the interaction scale length. This material is based upon work supported by the Air Force Office of Scientific Research under Award Number FA9550-16-1-0221.

Solubility enhancement of miconazole nitrate: binary and ternary mixture approach.

PubMed

Rai, Vineet Kumar; Dwivedi, Harinath; Yadav, Narayan Prasad; Chanotiya, Chandan Singh; Saraf, Shubhini A

2014-08-01

Enhancement of aqueous solubility of very slightly soluble Miconazole Nitrate (MN) is required to widen its application from topical formulation to oral/mucoadhesive formulations. Aim of the present investigation was to enhance the aqueous solubility of MN using binary and ternary mixture approach. Binary mixtures such as solvent deposition, inclusion complexation and solid dispersion were adopted to enhance solubility using different polymers like lactose, beta-cyclodextrin (β-CD) and polyethylene-glycol 6000 (PEG 6000), respectively. Batches of binary mixtures with highest solubility enhancement potentials were further mixed to form ternary mixture by a simple kneading method. Drug polymer interaction and mixture morphology was studied using the Fourier transform infrared spectroscopy and the scanning electron microscopy, respectively along with their saturation solubility studies and drug release. An excellent solubility enhancement, i.e. up to 72 folds and 316 folds of MN was seen by binary and ternary mixture, respectively. Up to 99.5% drug was released in 2 h from the mixtures of MN and polymers. RESULTS revealed that solubility enhancement by binary mixtures is achieved due to surface modification and by increasing wettability of MN. Tremendous increase in solubility of MN by ternary mixture could possibly be due to blending of water soluble polymers, i.e. lactose and PEG 6000 with β-CD which was found to enhance the solubilizing nature of β-CD. Owing to the excellent solubility enhancement potential of ternary mixtures in enhancing MN solubility from 110.4 μg/ml to 57640.0 μg/ml, ternary mixture approach could prove to be promising in the development of oral/mucoadhesive formulations.

Adiabatic pipelining: a key to ternary computing with quantum dots.

PubMed

Pečar, P; Ramšak, A; Zimic, N; Mraz, M; Lebar Bajec, I

2008-12-10

The quantum-dot cellular automaton (QCA), a processing platform based on interacting quantum dots, was introduced by Lent in the mid-1990s. What followed was an exhilarating period with the development of the line, the functionally complete set of logic functions, as well as more complex processing structures, however all in the realm of binary logic. Regardless of these achievements, it has to be acknowledged that the use of binary logic is in computing systems mainly the end result of the technological limitations, which the designers had to cope with in the early days of their design. The first advancement of QCAs to multi-valued (ternary) processing was performed by Lebar Bajec et al, with the argument that processing platforms of the future should not disregard the clear advantages of multi-valued logic. Some of the elementary ternary QCAs, necessary for the construction of more complex processing entities, however, lead to a remarkable increase in size when compared to their binary counterparts. This somewhat negates the advantages gained by entering the ternary computing domain. As it turned out, even the binary QCA had its initial hiccups, which have been solved by the introduction of adiabatic switching and the application of adiabatic pipeline approaches. We present here a study that introduces adiabatic switching into the ternary QCA and employs the adiabatic pipeline approach to successfully solve the issues of elementary ternary QCAs. What is more, the ternary QCAs presented here are sizewise comparable to binary QCAs. This in our view might serve towards their faster adoption.

Tungsten Incorporation into Gallium Oxide: Crystal Structure, Surface and Interface Chemistry, Thermal Stability and Interdiffusion

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

Rubio, E. J.; Mates, T. E.; Manandhar, S.

Tungsten (W) incorporated gallium oxide (Ga2O3) (GWO) thin films were deposited by radio-frequency magnetron co-sputtering of W-metal and Ga2O3-ceramic targets. Films were produced by varying sputtering power applied to the W-target in order to achieve variable W-content (0-12 at%) into Ga2O3 while substrate temperature was kept constant at 500 °C. Chemical composition, chemical valence states, microstructure and crystal structure of as-deposited and annealed GWO films were evaluated as a function of W-content. The structural and chemical analyses indicate that the samples deposited without any W-incorporation are stoichiometric, nanocrystalline Ga2O3 films, which crystallize in β-phase monoclinic structure. While GWO films alsomore » crystallize in monoclinic β-Ga2O3 phase, W-incorporation induces surface amorphization as revealed by structural studies. The chemical valence state of Ga ions probed by X-ray photoelectron spectroscopic (XPS) analyses is characterized by the highest oxidation state i.e., Ga3+. No changes in Ga chemical state are noted for variable W-incorporation in the range of 0-12 at%. Rutherford backscattering spectrometry (RBS) analyses indicate the uniform distribution of W-content in the GWO films. However, XPS analyses indicate the formation of mixed valence states for W ions, which may be responsible for surface amorphization in GWO films. GWO films were stable up to 900 oC, at which point thermally induced secondary phase (W-oxide) formation was observed. A transition to mesoporous structure coupled with W interdiffusion occurs due to thermal annealing as derived from the chemical analyses at the GWO films’ surface as well as depth-profiling towards the GWO-Si interface. A model has been formulated to account for the mechanism of W-incorporation, thermal stability and interdiffusion via pore formation in GWO films.« less

Interface effects in ultra-thin films: Magnetic and chemical properties

NASA Astrophysics Data System (ADS)

Park, Sungkyun

When the thickness of a magnetic layer is comparable to (or smaller than) the electron mean free path, the interface between magnetic and non-magnetic layers becomes very important factor to determine magnetic properties of the ultra-thin films. The quality of interface can enhance (or reduce) the desired properties. Several interesting physical phenomena were studied using these interface effects. The magnetic anisotropy of ultra-thin Co films is studied as function of non-magnetic underlayer thickness and non- magnetic overlayer materials using ex situ Brillouin light scattering (BLS). I observed that perpendicular magnetic anisotropy (PMA) increases with underlayer thickness and saturates after 5 ML. This saturation can be understood as a relaxation of the in-plane lattice parameter of Au(111) on top of Cu(111) to its bulk value. For the overlayer study, Cu, Al, and Au are used. An Au overlayer gives the largest PMA due to the largest in-plane lattice mismatch between Co and Au. An unusual effect was found by adding an additional layer on top of the Au overlayer. An additional Al capping layer on top of the Au overlayer reduces the PMA significantly. The possible explanation is that the misfit strain at the interface between the Al and the Au can be propagated through the Au layer to affect the magnetic properties of Co even though the in- plane lattice mismatch is less than 1%. Another interesting problem in interface interdiffusion and thermal stability in magnetic tunnel junction (MTJ) structures is studied using X-ray photoelectron spectroscopy (XPS). Since XPS is a very chemically sensitive technique, it allows us to monitor interface interdiffusion of the MTJ structures as-deposited and during post-deposition processing. For the plasma- oxidized samples, Fe only participates in the oxidation reduction process. In contrast to plasma-oxidized samples, there were no noticeable chemical shifts as- deposited and during post-deposition processing in air- oxidized samples. However, peak intensity variations were observed due to interface interdiffusion.

Characterization of Iridium Coated Rhenium Used in High-Temperature, Radiation-Cooled Rocket Thrusters

NASA Technical Reports Server (NTRS)

Stulen, R. H.; Boehme, D. R.; Clift, W. M.; McCarty, K. F.

1990-01-01

Materials used for radiation-cooled rocket thrusters must be capable of surviving under extreme conditions of high-temperatures and oxidizing environments. While combustion efficiency is optimized at high temperatures, many refractory metals are unsuitable for thruster applications due to rapid material loss from the formation of volatile oxides. This process occurs during thruster operation by reaction of the combustion products with the material surface. Aerojet Technical Systems has developed a thruster cone chamber constructed of Re coated with Ir on the inside surface where exposure to the rocket exhaust occurs. Re maintains its structural integrity at high temperature and the Ir coating is applied as an oxidation barrier. Ir also forms volatile oxide species (IrO2 and IrO3) but at a considerably slower rate than Re. In order to understand the performance limits of Ir-coated Re thrusters, we are investigating the interdiffusion and oxidation kinetics of Ir/Re. The formation of iridium and rhenium oxides has been monitored in situ by Raman spectroscopy during high temperature exposure to oxygen. For pure Ir, the growth of oxide films as thin as approximately 200 A could be easily detected and the formation of IrO2 was observed at temperatures as low as 600 C. Ir/Re diffusion test specimens were prepared by magnetron sputtering of Ir on Re substrates. Concentration profiles were determined by sputter Auger depth profiles of the heat treated specimens. Significant interdiffusion was observed at temperatures as low as 1000 C. Measurements of the activation energy suggest that below 1350 C, the dominant diffusion path is along defects, most likely grain boundaries, rather than bulk diffusion through the grains. The phases that form during interdiffusion have been examined by x ray diffraction. Analysis of heated test specimens indicates that the Ir-Re reaction produces a solid solution phase of Ir dissolved in the HCP structure of Re.

Ultratrace determination of arsenic in water samples by electrothermal atomic absorption spectrometry after pre-concentration with Mg-Al-Fe ternary layered double hydroxide nano-sorbent.

PubMed

Abdolmohammad-Zadeh, Hossein; Jouyban, Abolghasem; Amini, Roghayeh

2013-11-15

A selective solid phase extraction method, based on nano-structured Mg-Al-Fe(NO3(-)) ternary layered double hydroxide as a sorbent, is developed for the pre-concentration of ultra-trace levels of arsenic (As) prior to determination by electrothermal atomic absorption spectrometry. It is found that both As(III) and As(V) could be quantitatively retained on the sorbent within a wide pH range of 4-12. Accordingly, the presented method is applied to determination of total inorganic As in aqueous solutions. Maximum analytical signal of As is achieved when the pyrolysis and atomization temperatures are close to 900 °C and 2300 °C, respectively. Several variables affecting the extraction efficiency including pH, sample flow rate, amount of nano-sorbent, elution conditions and sample volume are optimized. Under the optimized conditions, the limit of detection (3Sb/m) and the relative standard deviation are 4.6 pg mL(-1) and 3.9%, respectively. The calibration graph is linear in the range of 15.0-650 pg mL(-1) with a correlation coefficient of 0.9979, sorption capacity and pre-concentration factor are 8.68 mg g(-1) and 300, respectively. The developed method is validated by the analysis of a standard reference material (SRM 1643e) and is successfully applied to the determination of ultra-trace amounts of As in different water samples. Copyright © 2013 Elsevier B.V. All rights reserved.

Structure and properties of ZnSxSe1-x thin films deposited by thermal evaporation of ZnS and ZnSe powder mixtures

NASA Astrophysics Data System (ADS)

Valeev, R. G.; Romanov, E. A.; Vorobiev, V. L.; Mukhgalin, V. V.; Kriventsov, V. V.; Chukavin, A. I.; Robouch, B. V.

2015-02-01

Interest to ZnSxSe1-x alloys is due to their band-gap tunability varying S and Se content. Films of ZnSxSe1-x were grown evaporating ZnS and ZnSe powder mixtures onto SiO2, NaCl, Si and ITO substrates using an original low-cost method. X-ray diffraction patterns and Raman spectroscopy, show that the lattice structure of these films is cubic ZnSe-like, as S atoms replace Se and film compositions have their initial S/Se ratio. Optical absorption spectra show that band gap values increase from 2.25 to 3 eV as x increases, in agreement with the literature. Because S atomic radii are smaller than Se, EXAFS spectra confirm that bond distances and Se coordination numbers decrease as the Se content decreases. The strong deviation from linearity of ZnSe coordination numbers in the ZnSxSe1-x indicate that within this ordered crystal structure strong site occupation preferences occur in the distribution of Se and S ions. The behavior is quantitatively confirmed by the strong deviation from the random Bernoulli distribution of the three sight occupation preference coefficients of the strained tetrahedron model. Actually, the ternary ZnSxSe1-x system is a bi-binary (ZnS+ZnSe) alloy with evanescent formation of ternary configurations throughout the x-range.

Thermoelectric properties of In-rich InGaN and InN/InGaN superlattices

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

Ju, James; Haunschild, Georg; Loitsch, Bernhard

2016-04-15

The thermoelectric properties of n-type InGaN alloys with high In-content and InN/InGaN thin film superlattices (SL) grown by molecular beam epitaxy are investigated. Room-temperature measurements of the thermoelectric properties reveal that an increasing Ga-content in ternary InGaN alloys (0 < x(Ga) < 0.2) yields a more than 10-fold reduction in thermal conductivity (κ) without deteriorating electrical conductivity (σ), while the Seebeck coefficient (S) increases slightly due to a widening band gap compared to binary InN. Employing InN/InGaN SLs (x(Ga) = 0.1) with different periods, we demonstrate that confinement effects strongly enhance electron mobility with values as high as ∼820 cm{supmore » 2}/V s at an electron density n{sub e} of ∼5×10{sup 19} cm{sup −3}, leading to an exceptionally high σ of ∼5400 (Ωcm){sup −1}. Simultaneously, in very short-period SL structures S becomes decoupled from n{sub e}, κ is further reduced below the alloy limit (κ < 9 W/m-K), and the power factor increases to 2.5×10{sup −4} W/m-K{sup 2} by more than a factor of 5 as compared to In-rich InGaN alloys. These findings demonstrate that quantum confinement in group-III nitride-based superlattices facilitates improvements of thermoelectric properties over bulk-like ternary nitride alloys.« less

A novel fusion method of improved adaptive LTP and two-directional two-dimensional PCA for face feature extraction

NASA Astrophysics Data System (ADS)

Luo, Yuan; Wang, Bo-yu; Zhang, Yi; Zhao, Li-ming

2018-03-01

In this paper, under different illuminations and random noises, focusing on the local texture feature's defects of a face image that cannot be completely described because the threshold of local ternary pattern (LTP) cannot be calculated adaptively, a local three-value model of improved adaptive local ternary pattern (IALTP) is proposed. Firstly, the difference function between the center pixel and the neighborhood pixel weight is established to obtain the statistical characteristics of the central pixel and the neighborhood pixel. Secondly, the adaptively gradient descent iterative function is established to calculate the difference coefficient which is defined to be the threshold of the IALTP operator. Finally, the mean and standard deviation of the pixel weight of the local region are used as the coding mode of IALTP. In order to reflect the overall properties of the face and reduce the dimension of features, the two-directional two-dimensional PCA ((2D)2PCA) is adopted. The IALTP is used to extract local texture features of eyes and mouth area. After combining the global features and local features, the fusion features (IALTP+) are obtained. The experimental results on the Extended Yale B and AR standard face databases indicate that under different illuminations and random noises, the algorithm proposed in this paper is more robust than others, and the feature's dimension is smaller. The shortest running time reaches 0.329 6 s, and the highest recognition rate reaches 97.39%.

FP-LAPW investigation of Al3(Sc1‑xTix) alloys properties in L12 and D022 structures

NASA Astrophysics Data System (ADS)

Khenioui, Youcef; Boulechfar, Rahima; Maazi, Noureddine; Ghemid, Sebti

2018-06-01

The ab-initio calculations based on the density functional theory (DFT) have been performed to study the structural, mechanical, electronic, thermal and thermodynamic properties of Al3Sc and Al3Ti binary compounds and their ternary mixture Al3(Sc1‑xTix) in L12 and D022 structures. The total energy calculations show that the L12 structure is the more stable one. The Al3Sc0.25Ti0.75 undergoes a martensitic transformation and the formation enthalpies and the lattice parameters decrease with increasing concentration x. The elastic constants are determined and the results show that all compounds are mechanically stable and the cubic cells are more easily deformed by shearing than by unidirectional compression. The elastic modulus indicates that the addition of Ti atoms to Al3Sc improves its ductility. The densities of states (DOSs) calculations show the strong spd hybridization which leads to the formation of a pseudo-gap near the Fermi level in ternary alloys. The densities of states at the Fermi level N(EF) confirm the phase stability. The quasi-harmonic Debye model is used to predict the thermal properties such as heat capacity, Debye temperature, Grüneisen parameter and thermal expansion coefficient of the considered alloys. The determination of Gibbs free mixing energy at different concentrations has been used to calculate the T-x diagram.

Complete set of invariants of a 4th order tensor: the 12 tasks of HARDI from ternary quartics.

PubMed

Papadopoulo, Théo; Ghosh, Aurobrata; Deriche, Rachid

2014-01-01

Invariants play a crucial role in Diffusion MRI. In DTI (2nd order tensors), invariant scalars (FA, MD) have been successfully used in clinical applications. But DTI has limitations and HARDI models (e.g. 4th order tensors) have been proposed instead. These, however, lack invariant features and computing them systematically is challenging. We present a simple and systematic method to compute a functionally complete set of invariants of a non-negative 3D 4th order tensor with respect to SO3. Intuitively, this transforms the tensor's non-unique ternary quartic (TQ) decomposition (from Hilbert's theorem) to a unique canonical representation independent of orientation - the invariants. The method consists of two steps. In the first, we reduce the 18 degrees-of-freedom (DOF) of a TQ representation by 3-DOFs via an orthogonal transformation. This transformation is designed to enhance a rotation-invariant property of choice of the 3D 4th order tensor. In the second, we further reduce 3-DOFs via a 3D rotation transformation of coordinates to arrive at a canonical set of invariants to SO3 of the tensor. The resulting invariants are, by construction, (i) functionally complete, (ii) functionally irreducible (if desired), (iii) computationally efficient and (iv) reversible (mappable to the TQ coefficients or shape); which is the novelty of our contribution in comparison to prior work. Results from synthetic and real data experiments validate the method and indicate its importance.

Synthesis and characterization of UO(2)(2+)-ion imprinted polymer for selective extraction of UO(2)(2+).

PubMed

Singh, Dhruv K; Mishra, Shraddha

2009-06-30

Ion-imprinted polymers (IIPs) were prepared for uranyl ion (imprint ion) by formation of binary (salicylaldoxime (SALO) or 4-vinylpyridine (VP)) or ternary (salicylaldoxime and 4-vinylpyridine) complex in 2-methoxy ethanol (porogen) following copolymerization with methacrylic acid (MAA) as a functional monomer and ethylene glycol dimethacrylate (EGDMA) as crosslinking monomer using 2,2'-azobisisobutyronitrile as initiator. Control polymers (CPs) were also prepared under identical experimental conditions without using imprint ion. The above synthesized polymers were characterized by surface area measurement, microanalysis and FT-IR analysis techniques. The imprinted polymer formed with ternary complex of UO(2)(2+)-SALO-VP (1:2:2, IIP3) showed quantitative enrichment of uranyl ion from dilute aqueous solution and hence was chosen for detailed studies. The optimal pH for quantitative enrichment is 3.5-6.5. The adsorbed UO(2)(2+) was completely eluted with 10 mL of 1.0 M HCl. The retention capacity of IIP3 was found to be 0.559 mmol g(-1). Further, the distribution ratio and selectivity coefficients of uranium and other selected inorganic ions were also evaluated. Five replicate determinations of 25 microg L(-1) of uranium(VI) gave a mean absorbance of 0.032 with a relative standard deviation of 2.20%. The detection limit corresponding to three times the standard deviation of the blank was found to be 5 microg L(-1). IIP3 was tested for preconcentration of uranium(VI) from ground, river and sea water samples.

All-optical 10Gb/s ternary-CAM cell for routing look-up table applications.

PubMed

Mourgias-Alexandris, George; Vagionas, Christos; Tsakyridis, Apostolos; Maniotis, Pavlos; Pleros, Nikos

2018-03-19

We experimentally demonstrate the first all-optical Ternary-Content Addressable Memory (T-CAM) cell that operates at 10Gb/s and comprises two monolithically integrated InP Flip-Flops (FF) and a SOA-MZI optical XOR gate. The two FFs are responsible for storing the data bit and the ternary state 'X', respectively, with the XOR gate used for comparing the stored FF-data and the search bit. The experimental results reveal error-free operation at 10Gb/s for both Write and Ternary Content Addressing of the T-CAM cell, indicating that the proposed optical T-CAM cell could in principle lead to all-optical T-CAM-based Address Look-up memory architectures for high-end routing applications.

Material properties of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3

NASA Astrophysics Data System (ADS)

Tietz, F.; Arul Raj, I.; Ma, Q.; Baumann, S.; Mahmoud, A.; Hermann, R. P.

2016-05-01

An overview is presented on the variation of electrical conductivity, oxygen permeation, and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO3-LaCoO3-LaNiO3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni0.5Fe0.5)1-xCoxO3 and LaNi0.5-xFexCo0.5O3, are presented after the powders had been sintered at 1100 °C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi0.5Fe0.5O3 for which 60% rhombohedral and 40% orthorhombic phase was found. The maximum DC electrical conductivity value of the perovskites at 800 °C was 1229 S cm-1 for the composition LaCoO3 and the minimum was 91 S cm-1 for the composition LaCo0.5Fe0.5O3. The oxygen permeation of samples with promising conductivities at 800 °C was one order of magnitude lower than that of La0.6Sr0.4Co0.8Fe0.2O3 (LSCF). The highest value of 0.017 ml cm-2 min-1 at 950 °C was obtained with LaNi0.5Co0.5O3. The coefficients of thermal expansion varied in the range of 13.2×10-6 K-1 and 21.9×10-6 K-1 for LaNi0.5Fe0.5O3 and LaCoO3, respectively. 57Fe Mössbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. The substitution had a great influence on the chemical properties of the materials.

Material properties of perovskites in the quasi-ternary system LaFeO 3–LaCoO 3–LaNiO 3

DOE PAGES

Tietz, F.; Arul Raj, I.; Ma, Q.; ...

2016-02-02

We present an overview on the variation of electrical conductivity, oxygen permeation, oxygen surface exchange and thermal expansion coefficient as a function of the composition of perovskites in the quasi-ternary system LaFeO 3–LaCoO 3–LaNiO 3. Powders of thirteen nominal perovskite compositions were synthesized under identical conditions by the Pechini method. The powder X-ray diffraction data of two series, namely La(Ni 0.5Fe 0.5) 1-xCo xO 3 and LaNi 0.5- xFe xCo 0.5O 3, are presented after the powders had been sintered at 1100 C for 6 h in air. The measurements revealed a rhombohedral structure for all compositions except LaNi 0.5Femore » 0.5O 3 for which 60% rhombohedral and 40% orthorhombic phase was found. Moreover, the maximum DC electrical conductivity value of the perovskites at 800 C was 1229 S cm-1 for the composition LaCoO 3 and the minimum was 91 S cm-1 for the composition LaCo 0.5Fe 0.5O 3. The oxygen permeation of samples with promising conductivities at 800 C was one order of magnitude lower than that of La 0.6Sr 0.4Co 0.8Fe 0.2O 3 (LSCF). The highest value of 0.017 ml cm -2 min-1 at 950 C was obtained with LaNi 0.5Co 0.5O 3. The coefficients of thermal expansion varied in the range of 13.2 x 10 -6 K -1 and 21.9 x 10 -6 K -1 for LaNi 0.5Fe 0.5O 3 and LaCoO 3, respectively. 57Fe M ssbauer spectroscopy was used as probe for the oxidation states, local environment and magnetic properties of iron ions as a function of chemical composition. Ultimately, the substitution had a great influence on the chemical properties of the materials.« less

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

Atomistic study of ternary oxides as high-temperature solid lubricants

NASA Astrophysics Data System (ADS)

Gao, Hongyu

Friction and wear are important tribological phenomena tightly associated with the performance of tribological components/systems such as bearings and cutting machines. In the process of contact and sliding, friction and wear lead to energy loss, and high friction and wear typically result in shortened service lifetime. To reduce friction and wear, solid lubricants are generally used under conditions where traditional liquid lubricants cannot be applied. However, it is challenging to maintain the functionality of those materials when the working environment becomes severe. For instance, at elevated temperatures (i.e., above 400 °C), most traditional solid lubricants, such as MoS2 and graphite, will easily oxidize or lose lubricity due to irreversible chemical changes. For such conditions, it is necessary to identify materials that can remain thermally stable as well as lubricious over a wide range of temperatures. Among the currently available high-temperature solid lubricants, Ag-based ternary metal oxides have recently drawn attention due to their low friction and ability to resist oxidation. A recent experimental study showed that the Ag-Ta-O ternary exhibited an extremely low coefficient of friction (0.06) at 750 °C. To fully uncover the lubricious nature of this material as a high-temperature solid lubricant, a series of tribological investigations were carried out based on one promising candidate - silver tantalate (AgTaO3). The study was then extended to alternative materials, Cu-Ta-O ternaries, to accommodate a variety of application requirements. We aimed to understand, at an atomic level, the effects of physical and chemical properties on the thermal, mechanical and tribological behavior of these materials at high temperatures. Furthermore, we investigated potassium chloride films on a clean iron surface as a representative boundary lubricating system in a nonextreme environment. This investigation complemented the study of Ag/Cu-Ta-O and enhanced the understanding of lubricious mechanisms of solid lubricants in general. Molecular dynamics (MD) simulations was used as the primary tool in this research, complemented by density-functional theory and experiments from our colleagues. In this research, we first developed empirical potential parameters for AgTaO3 and later Cu- Ta-O ternaries using the modified embedded-atom method (MEAM) formalism. With those parameters, we explored the sliding mechanisms of AgTaO3, CuTaO3 and CuTa2O6 at elevated temperatures. Particularly on AgTaO3, we investigated the effects of applied loads as well as surface terminations on friction and wear as functions of temperature. In addition, to optimize the tribological performance of AgTaO3, film reconstruction mechanisms were investigated on Ta2O5/Ag films with varying amounts of Ag. For the potassium chloride-iron system, we studied the effect of contact pressure on interfacial structure, based on which the origin of the commonly observed pressure-dependent shear strengths was explored. We hope this research will benefit the design and development of solid lubricant materials for a wide range of applications.

Seebeck Coefficient Measurements on Micron-Size Single-Crystal Zinc Germanium Nitride Rods

NASA Astrophysics Data System (ADS)

Dyck, J. S.; Colvin, J. R.; Quayle, P. C.; Peshek, T. J.; Kash, K.

2016-06-01

II-IV-nitride compounds are tetrahedrally bonded, heterovalent ternary semiconductors that have recently garnered attention for their potential technological applications. These materials are derived from the parent III-nitride compounds; ZnGeN2 is the II-IV-nitride analogue to the III-nitride GaN. Very little is known about the transport properties of ZnGeN2. In this work, we present Seebeck coefficient ( S) data on 3-micron-diameter, 70-micron-long, single-crystal ZnGeN2 rods, employing a novel measurement approach. The measurements of S show that the majority free carriers are electrons, and imply that the carrier gas is degenerate. Within a single-band model for the conduction band, a carrier concentration of order 1019 cm-3 was estimated for a measured S = -90 μV/K. Together with electrical transport measurements, a lower limit for the electron mobility is estimated to be ˜20 cm2/V-s. A discussion of this material as a thermoelectric is presented. The background level of free electrons in this unintentionally doped ZnGeN2 is very near the predicted optimum value for maximum thermoelectric performance.

Estimation of excess energies and activity coefficients for the penternary Ni-Cr-Co-Al-Mo system and its subsystems

NASA Astrophysics Data System (ADS)

Dogan, A.; Arslan, H.; Dogan, T.

2015-06-01

Using different prediction methods, such as the General Solution Model of Kohler and Muggianu, the excess energy and activities of molybdenum for the sections of the phase diagram for the penternary Ni-Cr-Co-Al-Mo system with mole ratios xNi/ xMo = 1, xCr/ xMo = 1, xCo/ xMo = 1, and xAl/ xMo = r = 0.5 and 1, were thermodynamically investigated at a temperature of 2000 K, whereas the excess energy and activities of Bi for the section corresponding to the ternary Bi-Ga-Sb system with mole ratio xGa/ xSb = 1/9 were thermodynamically investigated at a temperature of 1073 K. In the case of r = 0.5 and 1 in the alloys Ni-Cr-Co-Al-Mo, a positive deviation in the activity coefficient was revealed, as molybdenum content increased. Moreover, in the calculations performed in Chou's GSM model, the obtained values for excess Gibbs energies are negative in the whole concentration range of bismuth at 1073 K and exhibit the minimum of about -2.2 kJ/mol at the mole ratio xGa/ xSb = 1/9 in the alloy Bi-Ga-Sb.

Heat transfer during condensation of steam from steam-gas mixtures in the passive safety systems of nuclear power plants

NASA Astrophysics Data System (ADS)

Portnova, N. M.; Smirnov, Yu B.

2017-11-01

A theoretical model for calculation of heat transfer during condensation of multicomponent vapor-gas mixtures on vertical surfaces, based on film theory and heat and mass transfer analogy is proposed. Calculations were performed for the conditions implemented in experimental studies of heat transfer during condensation of steam-gas mixtures in the passive safety systems of PWR-type reactors of different designs. Calculated values of heat transfer coefficients for condensation of steam-air, steam-air-helium and steam-air-hydrogen mixtures at pressures of 0.2 to 0.6 MPa and of steam-nitrogen mixture at the pressures of 0.4 to 2.6 MPa were obtained. The composition of mixtures and vapor-to-surface temperature difference were varied within wide limits. Tube length ranged from 0.65 to 9.79m. The condensation of all steam-gas mixtures took place in a laminar-wave flow mode of condensate film and turbulent free convection in the diffusion boundary layer. The heat transfer coefficients obtained by calculation using the proposed model are in good agreement with the considered experimental data for both the binary and ternary mixtures.

Abnormal specific heat enhancement and non-Fermi-liquid behavior in the heavy-fermion system U2Cu17 -xGax (5 ≤x ≤8 )

NASA Astrophysics Data System (ADS)

Svanidze, E.; Amon, A.; Prots, Yu.; Leithe-Jasper, A.; Grin, Yu.

2018-03-01

In the antiferromagnetic heavy-fermion compound U2Zn17 , the Sommerfeld coefficient γ can be enhanced if all Zn atoms are replaced by a combination of Cu and Al or Cu and Ga. In the former ternary phase, glassy behavior was observed, while for the latter, conflicting ground-state reports suggest material quality issues. In this work, we investigate the U2Cu17 -xGax substitutional series for 4.5 ≤x ≤9.5 . In the homogeneity range of the phase with the Th2Zn17 -type of crystal structure, all samples exhibit glassy behavior with 0.6 K ≤Tf≤1.8 K . The value of the electronic specific heat coefficient γ in this system exceeds 900 mJ/molUK2. Such a drastic effective-mass enhancement can possibly be attributed to the effects of structural disorder, since the role of electron concentration and lattice compression is likely minimal. Crystallographic disorder is also responsible for the emergence of non-Fermi-liquid behavior in these spin-glass materials, as evidenced by logarithmic divergence of magnetic susceptibility, specific heat, and electrical resistivity.

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

NASA Astrophysics Data System (ADS)

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Assessment of a Novel Ternary Eutectic Chloride Salt for Next Generation High-Temperature Sensible Heat Storage

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

Vidal, Judith C; Mohan, Gowtham; Venkataraman, Mahesh

A novel ternary eutectic salt mixture for high-temperature sensible heat storage, composed of sodium chloride, potassium chloride and magnesium chloride (NaKMg-Cl) was developed based on a phase diagram generated with FactSage(R). The differential scanning calorimetry (DSC) technique was used to experimentally validate the predicted melting point of the ternary eutectic composition, which was measured as 387 degrees C, in good agreement with the prediction. The ternary eutectic was compared to two binary salts formulated based on prediction of the eutectic composition by FactSage, but unfortunately DSC measurements showed that neither binary salt composition was eutectic. Nonetheless, the measured thermo-physical propertiesmore » of the ternary and the two binary mixtures are compared. Liquid heat capacities of both the ternary and binary salts were determined by using DSC with sapphire as the standard reference. The average heat capacity of the ternary mixture was recorded as 1.18 J g-1 K-1. The mass loss of the molten eutectic salts was studied up to 1000 degrees C using a thermogravimetric analyser in nitrogen, argon and air. The results showed a significant mass loss due to vaporisation in an open system, particularly above 700 degrees C. However, simulation of mass loss in a closed system with an inert cover gas indicates storage temperatures above 700 degrees C may be feasible, and highlights the importance of the design of the storage tank system. In terms of storage material cost, the NaKMg-Cl mixture is approximately 4.5 USD/kWh, which is 60% cheaper than current state-of-the-art nitrate salt mixtures.« less

Preparation, characterization and luminescence properties of core-shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L.

PubMed

Ma, Yang-Yang; Li, Wen-Xian; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-03-01

Two novel core-shell structure ternary terbium composites SiO 2(600) @Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O shell grafted onto the surface of SiO 2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH 2 ) 3 Si(OCH 2 CH 3 ) 3 ) 2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1 HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si-OH and the Si-OH condensate with the Si-OH on the surface of SiO 2 microspheres; then ligand MABA-Si grafted onto the surface of SiO 2 microspheres. The diameter of SiO 2 core of SiO 2(600) @Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core-shell structure ternary terbium composites SiO 2(600) Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L 2 ·(ClO 4 ) 3 ·2H 2 O, respectively. Luminescence decay curves show that core-shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core-shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields.

Preparation, characterization and luminescence properties of core–shell ternary terbium composites SiO2(600)@Tb(MABA-Si)•L

PubMed Central

Ma, Yang-Yang; Zheng, Yu-Shan; Bao, Jin-Rong; Li, Yi-Lian; Feng, Li-Na; Yang, Kui-Suo; Qiao, Yan; Wu, An-Ping

2018-01-01

Two novel core–shell structure ternary terbium composites SiO2(600)@Tb(MABA-Si)·L(L:dipy/phen) nanometre luminescence materials were prepared by ternary terbium complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O shell grafted onto the surface of SiO2 microspheres. And corresponding ternary terbium complexes were synthesized using (CONH(CH2)3Si(OCH2CH3)3)2 (denoted as MABA-Si) as first ligand and L as second ligand coordinated with terbium perchlorate. The as-synthesized products were characterized by means of IR spectra, 1HNMR, element analysis, molar conductivity, SEM and TEM. It was found that the first ligand MABA-Si of terbium ternary complex hydrolysed to generate the Si–OH and the Si–OH condensate with the Si–OH on the surface of SiO2 microspheres; then ligand MABA-Si grafted onto the surface of SiO2 microspheres. The diameter of SiO2 core of SiO2(600)@Tb(MABA-Si)·L was approximately 600 nm. Interestingly, the luminescence properties demonstrate that the two core–shell structure ternary terbium composites SiO2(600)Tb(MABA-Si)·L(dipy/phen) exhibit strong emission intensities, which are 2.49 and 3.35 times higher than that of the corresponding complexes Tb(MABA-Si)·L2·(ClO4)3·2H2O, respectively. Luminescence decay curves show that core–shell structure ternary terbium composites have longer lifetime. Excellent luminescence properties enable the core–shell materials to have potential applications in medicine, industry, luminescent fibres and various biomaterials fields. PMID:29657773

Comparison of actual vs synthesized ternary phase diagrams for solutes of cryobiological interest☆

PubMed Central

Kleinhans, F.W.; Mazur, Peter

2009-01-01

Phase diagrams are of great utility in cryobiology, especially those consisting of a cryoprotective agent (CPA) dissolved in a physiological salt solution. These ternary phase diagrams consist of plots of the freezing points of increasing concentrations of solutions of cryoprotective agents (CPA) plus NaCl. Because they are time-consuming to generate, ternary diagrams are only available for a small number of CPA's. We wanted to determine whether accurate ternary phase diagrams could be synthesized by adding together the freezing point depressions of binary solutions of CPA/water and NaCl/water which match the corresponding solute molality concentrations in the ternary solution. We begin with a low concentration of a solution of CPA + salt of given R (CPA/salt) weight ratio. Ice formation in that solution is mimicked by withdrawing water from it which increases the concentrations of both the CPA and the NaCl. We compute the individual solute concentrations, determine their freezing points from published binary phase diagrams, and sum the freezing points. These yield the synthesized ternary phase diagram for a solution of given R. They were compared with published experimental ternary phase diagrams for glycerol, dimethyl sulfoxide (DMSO), sucrose, and ethylene glycol (EG) plus NaCl in water. For the first three, the synthesized and experimental phase diagrams agreed closely, with some divergence occurring as wt % concentrations exceeded 30% for DMSO and 55% for glycerol and sucrose. However, in the case of EG there were substantial differences over nearly the entire range of concentrations which we attribute to systematic errors in the experimental EG data. New experimental EG work will be required to resolve this issue. PMID:17350609

Comparison of actual vs. synthesized ternary phase diagrams for solutes of cryobiological interest.

PubMed

Kleinhans, F W; Mazur, Peter

2007-04-01

Phase diagrams are of great utility in cryobiology, especially, those consisting of a cryoprotective agent (CPA) dissolved in a physiological salt solution. These ternary phase diagrams consist of plots of the freezing points of increasing concentrations of solutions of cryoprotective agents (CPA) plus NaCl. Because they are time-consuming to generate, ternary diagrams are only available for a small number of CPAs. We wanted to determine whether accurate ternary phase diagrams could be synthesized by adding together the freezing point depressions of binary solutions of CPA/water and NaCl/water which match the corresponding solute molality concentrations in the ternary solution. We begin with a low concentration of a solution of CPA+salt of given R (CPA/salt) weight ratio. Ice formation in that solution is mimicked by withdrawing water from it which increases the concentrations of both the CPA and the NaCl. We compute the individual solute concentrations, determine their freezing points from published binary phase diagrams, and sum the freezing points. These yield the synthesized ternary phase diagram for a solution of given R. They were compared with published experimental ternary phase diagrams for glycerol, dimethyl sulfoxide (DMSO), sucrose, and ethylene glycol (EG) plus NaCl in water. For the first three, the synthesized and experimental phase diagrams agreed closely, with some divergence occurring as wt% concentrations exceeded 30% for DMSO and 55% for glycerol, and sucrose. However, in the case of EG there were substantial differences over nearly the entire range of concentrations which we attribute to systematic errors in the experimental EG data. New experimental EG work will be required to resolve this issue.

Surface tension isotherms of the dioxane-acetone-water and glycerol-ethanol-water ternary systems

NASA Astrophysics Data System (ADS)

Dzhambulatov, R. S.; Dadashev, R. Kh.; Elimkhanov, D. Z.; Dadashev, I. N.

2016-10-01

The results of the experimental and theoretical studies of the concentration dependence of surface tension of aqueous solutions of the 1,4-dioxane-acetone-water and glycerol-ethanol-water ternary systems were given. The studies were performed by the hanging-drop method on a DSA100 tensiometer. The maximum error of surface tension was 1%. The theoretical models for calculating the surface tension of the ternary systems of organic solutions were analyzed.

Ternary Polymer Solar Cells based on Two Acceptors and One Donor for Achieving 12.2% Efficiency.

PubMed

Zhao, Wenchao; Li, Sunsun; Zhang, Shaoqing; Liu, Xiaoyu; Hou, Jianhui

2017-01-01

Ternary polymer solar cells are fabricated based on one donor PBDB-T and two acceptors (a methyl-modified small-molecular acceptor (IT-M) and a bis-adduct of Bis[70]PCBM). A high power conversion efficiency of 12.2% can be achieved. The photovoltaic performance of the ternary polymer solar cells is not sensitive to the composition of the blend. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Ternary Oxides in the TiO2-ZnO System as Efficient Electron-Transport Layers for Perovskite Solar Cells with Efficiency over 15.

PubMed

Yin, Xiong; Xu, Zhongzhong; Guo, Yanjun; Xu, Peng; He, Meng

2016-11-02

Perovskite solar cells, which utilize organometal-halide perovskites as light-harvesting materials, have attracted great attention due to their high power conversion efficiency (PCE) and potentially low cost in fabrication. A compact layer of TiO 2 or ZnO is generally applied as electron-transport layer (ETL) in a typical perovskite solar cell. In this study, we explored ternary oxides in the TiO 2 -ZnO system to find new materials for the ETL. Compact layers of titanium zinc oxides were readily prepared on the conducting substrate via spray pyrolysis method. The optical band gap, valence band maximum and conduction band minimum of the ternary oxides varied significantly with the ratio of Ti to Zn, surprisingly, in a nonmonotonic way. When a zinc-rich ternary oxide was applied as ETL for the device, a PCE of 15.10% was achieved, comparable to that of the device using conventional TiO 2 ETL. Interestingly, the perovskite layer deposited on the zinc-rich ternary oxide is stable, in sharp contrast with that fabricated on a ZnO layer, which will turn into PbI 2 readily when heated. These results indicate that potentially new materials with better performance can be found for ETL of perovskite solar cells in ternary oxides, which deserve more exploration.

Solid-state characterization and dissolution properties of meloxicam-moringa coagulant-PVP ternary solid dispersions.

PubMed

Noolkar, Suhail B; Jadhav, Namdeo R; Bhende, Santosh A; Killedar, Suresh G

2013-06-01

The effect of ternary solid dispersions of poor water-soluble NSAID meloxicam with moringa coagulant (obtained by salt extraction of moringa seeds) and polyvinylpyrrolidone on the in vitro dissolution properties has been investigated. Binary (meloxicam-moringa and meloxicam-polyvinylpyrrolidone (PVP)) and ternary (meloxicam-moringa-PVP) systems were prepared by physical kneading and ball milling and characterized by Fourier transform infrared spectroscopy, differential scanning calorimetry, and X-ray diffractometry. The in vitro dissolution behavior of meloxicam from the different products was evaluated by means of United States Pharmacopeia type II dissolution apparatus. The results of solid-state studies indicated the presence of strong interactions between meloxicam, moringa, and PVP which were of totally amorphous nature. All ternary combinations were significantly more effective than the corresponding binary systems in improving the dissolution rate of meloxicam. The best performance in this respect was given by the ternary combination employing meloxicam-moringa-PVP ratio of [1:(3:1)] prepared by ball milling, with about six times increase in percent dissolution rate, whereas meloxicam-moringa (1:3) and meloxicam-PVP (1:4) prepared by ball milling improved dissolution of meloxicam by almost 3- and 2.5-folds, respectively. The achieved excellent dissolution enhancement of meloxicam in the ternary systems was attributed to the combined effects of impartation of hydrophilic characteristic by PVP, as well as to the synergistic interaction between moringa and PVP.

Effect of CMC addition on steady and dynamic shear rheological properties of binary systems of xanthan gum and guar gum.

PubMed

Bak, J H; Yoo, B

2018-04-12

The effect of CMC on the steady and dynamic shear rheological properties of binary mixtures of XG and GG was examined at different mixing ratios. All XG-GG-CMC ternary mixtures had high shear-thinning behavior and the n value of the sample with 5% CMC was the smallest compared with those of other samples. A marked increase in K and η a,50 values was observed for ternary mixtures at a lower content (5%) of CMC, indicating that the synergistic interactions of the XG-GG binary mixture were affected by the content of CMC. The effect of temperature on the η a,50 was well described by the Arrhenius equation for all samples. The activation energy values of all ternary gum mixtures are higher than that of binary gum mixture, and these values also decreased with an increase in CMC content from 5 to 15%. The dynamic moduli of ternary gum mixtures decreased with an increase in CMC content. The tan δ value of the ternary gum mixture with 5% CMC was much lower than those of other ternary mixtures. In general, these results suggest that the flow and dynamic shear rheological properties of XG-GG binary mixtures are strongly influenced by a small addition of CMC. Copyright © 2018. Published by Elsevier B.V.

Construction of RGO/CdIn2S4/g-C3N4 ternary hybrid with enhanced photocatalytic activity for the degradation of tetracycline hydrochloride

NASA Astrophysics Data System (ADS)

Xiao, Peng; Jiang, Deli; Ju, Lixin; Jing, Junjie; Chen, Min

2018-03-01

Although RGO shows great advantage in promoting charge separation and transfer of semiconductor, construction of an efficient RGO-incorporated photocatalyst is still challenging. Herein, RGO was employed to construct novel RGO/CdIn2S4/g-C3N4 (donated as RGO/CIS/CN) ternary photocatalyst by a facile hydrothermal method for the degradation of tetracycline hydrochloride (TC). The RGO/CIS/CN ternary photocatalyst showed significantly enhanced photocatalytic activity towards the degradation of TC as compared to the binary CIS/CN, CIS/CN, and CN/RGO. The photoluminescence and photocurrent response results indicate that this enhanced photocatalytic activity can be mainly ascribed to the improved charge separation and transfer efficiency. Based on the radical trapping and electron spin resonance results, the superoxide radicals and holes are proposed to play an important role in the degradation of TC over RGO/CIS/CN ternary photocatalyst. This work paves new opportunities for the synthesis of RGO-incorporated ternary photocatalyst as an efficient photocatalyst for the degradation of organic contaminant.

Integrated Ternary Bioinspired Nanocomposites via Synergistic Toughening of Reduced Graphene Oxide and Double-Walled Carbon Nanotubes.

PubMed

Gong, Shanshan; Cui, Wei; Zhang, Qi; Cao, Anyuan; Jiang, Lei; Cheng, Qunfeng

2015-12-22

With its synergistic toughening effect and hierarchical micro/nanoscale structure, natural nacre sets a "gold standard" for nacre-inspired materials with integrated high strength and toughness. We demonstrated strong and tough ternary bioinspired nanocomposites through synergistic toughening of reduced graphene oxide and double-walled carbon nanotube (DWNT) and covalent bonding. The tensile strength and toughness of this kind of ternary bioinspired nanocomposites reaches 374.1 ± 22.8 MPa and 9.2 ± 0.8 MJ/m(3), which is 2.6 and 3.3 times that of pure reduced graphene oxide film, respectively. Furthermore, this ternary bioinspired nanocomposite has a high conductivity of 394.0 ± 6.8 S/cm and also shows excellent fatigue-resistant properties, which may enable this material to be used in aerospace, flexible energy devices, and artificial muscle. The synergistic building blocks with covalent bonding for constructing ternary bioinspired nanocomposites can serve as the basis of a strategy for the construction of integrated, high-performance, reduced graphene oxide (rGO)-based nanocomposites in the future.

Delicate Ag/V2O5/TiO2 ternary nanostructures as a high-performance photocatalyst

NASA Astrophysics Data System (ADS)

Zhu, Xiao-Dong; Zheng, Ya-Lun; Feng, Yu-Jie; Sun, Ke-Ning

2018-02-01

Here we report, for the first time, delicate ternary nanostructures consisting of TiO2 nanoplatelets co-doped with Ag and V2O5 nanoparticles. The relationship between the composition and the morphology is systematically studied. We find a remarkable synergistic effect among the three components, and the resulting delicate Ag/V2O5/TiO2 ternary nanostructures exhibit a superior photocatalytic performance over neat TiO2 nanoplatelets as well as Ag/TiO2 and V2O5/TiO2 binary nanostructures for the degradation of methyl orange. We believe our delicate Ag/V2O5/TiO2 ternary nanostructures may lay a basis for developing next-generating, high-performance composite photocatalysts.

Ternary ceramic thermal spraying powder and method of manufacturing thermal sprayed coating using said powder

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

Vogli, Evelina; Sherman, Andrew J.; Glasgow, Curtis P.

The invention describes a method for producing ternary and binary ceramic powders and their thermal spraying capable of manufacturing thermal sprayed coatings with superior properties. Powder contain at least 30% by weight ternary ceramic, at least 20% by weight binary molybdenum borides, at least one of the binary borides of Cr, Fe, Ni, W and Co and a maximum of 10% by weight of nano and submicro-sized boron nitride. The primary crystal phase of the manufactured thermal sprayed coatings from these powders is a ternary ceramic, while the secondary phases are binary ceramics. The coatings have extremely high resistance againstmore » corrosion of molten metal, extremely thermal shock resistance and superior tribological properties at low and at high temperatures.« less

Binary and ternary gas mixtures for use in glow discharge closing switches

DOEpatents

Hunter, Scott R.; Christophorou, Loucas G.

1990-01-01

Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue of the combined physio-electric properties of the mixture components.

Ternary Organic Solar Cells Based on Two Compatible Nonfullerene Acceptors with Power Conversion Efficiency >10.

PubMed

Liu, Tao; Guo, Yuan; Yi, Yuanping; Huo, Lijun; Xue, Xiaonan; Sun, Xiaobo; Fu, Huiting; Xiong, Wentao; Meng, Dong; Wang, Zhaohui; Liu, Feng; Russell, Thomas P; Sun, Yanming

2016-12-01

Two different nonfullerene acceptors and one copolymer are used to fabricate ternary organic solar cells (OSCs). The two acceptors show unique interactions that reduce crystallinity and form a homogeneous mixed phase in the blend film, leading to a high efficiency of ≈10.3%, the highest performance reported for nonfullerene ternary blends. This work provides a new approach to fabricate high-performance OSCs. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Drop-in substitute for dichlorodifluoromethane refrigerant

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

Goble, G.H.

1993-06-01

A method for producing refrigeration in a refrigeration system designed for a dichlorodifluoromethane refrigerant is described, comprising drop-in substituting for said dichlorodifluoromethane a ternary mixture of about 2 to 20 weight percent isobutane, about 21 to 51 weight percent 1-chloro-1,1-difluoroethane, and about 41 to 71 weight percent chlorodifluoromethane, with the weight percentages of said components being weight percentages of the overall mixture; condensing said ternary mixture; and thereafter evaporating said ternary mixture in the vicinity of a body to be cooled.

Liquid-liquid equilibria for 2,3-butanediol + water + organic solvents at 303. 15 K

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

Sharma, S.; Pandya, G.; Chakrabarti, T.

1994-10-01

2, 3-Butanediol, an important industrial chemical, is of interest because of its application as a solvent and liquid fuel additive. Liquid-liquid equilibria at 303.15 [+-] 0.5 K were measured for water + 2, 3-butanediol + butan-1-ol, + 3-methyl-1-butanol, + 4-methyl-2-pentanone, + tributyl phosphate, and + butyl acetate. Complete phase diagrams were obtained by evaluating the solubility and tie-line results for each ternary mixture. The consistency of the tie-line results was ascertained using an Othmer-Tobias plot. The distribution coefficient and separation factors were evaluated over the immiscibility region. Among the solvents studied, butan-1-ol is the most effective one though tributyl phosphatemore » and 3-methyl-1-butanol may be preferred because of their low solubility and high selectivity.« less

The effect of natural organic matter on the adsorption of mercury to bacterial cells

NASA Astrophysics Data System (ADS)

Dunham-Cheatham, Sarrah; Mishra, Bhoopesh; Myneni, Satish; Fein, Jeremy B.

2015-02-01

We investigated the ability of non-metabolizing Bacillus subtilis, Shewanella oneidensis MR-1, and Geobacter sulfurreducens bacterial species to adsorb mercury in the absence and presence of Suwanee River fulvic acid (FA). Bulk adsorption and X-ray absorption spectroscopy (XAS) experiments were conducted at three pH conditions, and the results indicate that the presence of FA decreases the extent of Hg adsorption to biomass under all of the pH conditions studied. Hg XAS results show that the presence of FA does not alter the binding environment of Hg adsorbed onto the biomass regardless of pH or FA concentration, indicating that ternary bacteria-Hg-FA complexes do not form to an appreciable extent under the experimental conditions, and that Hg binding on the bacteria is dominated by sulfhydryl binding. We used the experimental results to calculate apparent partition coefficients, Kd, for Hg under each experimental condition. The calculations yield similar coefficients for Hg onto each of the bacterial species studies, suggesting there is no significant difference in Hg partitioning between the three bacterial species. The calculations also indicate similar coefficients for Hg-bacteria and Hg-FA complexes. S XAS measurements confirm the presence of sulfhydryl sites on both the FA and bacterial cells, and demonstrate the presence of a wide range of S moieties on the FA in contrast to the bacterial biomass, whose S sites are dominated by thiols. Our results suggest that although FA can compete with bacterial binding sites for aqueous Hg, because of the relatively similar partition coefficients for the types of sorbents, the competition is not dominated by either bacteria or FA unless the concentration of one type of site greatly exceeds that of the other.

Enhanced calculation of eigen-stress field and elastic energy in atomistic interdiffusion of alloys

NASA Astrophysics Data System (ADS)

Cecilia, José M.; Hernández-Díaz, A. M.; Castrillo, Pedro; Jiménez-Alonso, J. F.

2017-02-01

The structural evolution of alloys is affected by the elastic energy associated to eigen-stress fields. However, efficient calculations of the elastic energy in evolving geometries are actually a great challenge in promising atomistic simulation techniques such as Kinetic Monte Carlo (KMC) methods. In this paper, we report two complementary algorithms to calculate the eigen-stress field by linear superposition (a.k.a. LSA, Lineal Superposition Algorithm) and the elastic energy modification in atomistic interdiffusion of alloys (the Atom Exchange Elastic Energy Evaluation (AE4) Algorithm). LSA is shown to be appropriated for fast incremental stress calculation in highly nanostructured materials, whereas AE4 provides the required input for KMC and, additionally, it can be used to evaluate the accuracy of the eigen-stress field calculated by LSA. Consequently, they are suitable to be used on-the-fly with KMC. Both algorithms are massively parallel by their definition and thus well-suited for their parallelization on modern Graphics Processing Units (GPUs). Our computational studies confirm that we can obtain significant improvements compared to conventional Finite Element Methods, and the utilization of GPUs opens up new possibilities for the development of these methods in atomistic simulation of materials.

Tailoring characteristic thermal stability of Ni-Au binary nanocrystals via structure and composition engineering: theoretical insights into structural evolution and atomic inter-diffusion

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

Li, Bangquan; Wang, Hailong; Xing, Guozhong

We report on the structural evolution and atomic inter-diffusion characteristics of the bimetallic Ni-Au nanocrystals (NCs) by molecular dynamics simulations studies. Our results reveal that the thermal stability dynamics of Ni-Au NCs strongly depends on the atomic configurations. By engineering the structural construction with Ni:Au = 1:1 atomic composition, compared with core-shell Au@Ni and alloy NCs, the melting point of core-shell Ni@Au NCs is significantly enhanced up to 1215 K. Unexpectedly, with atomic ratio of Au:Ni= 1:9, the melting process initiates from the atoms in the shell of Ni@Au and alloy NCs, while starts from the core of Au@Ni NCs.more » The corresponding features and evolution process of structural motifs, mixing and segregation are illustrated via a series of dynamic simulations videos. Moreover, our results revealed that the face centered cubic phase Au{sub 0.75}Ni{sub 0.25} favorably stabilizes in NCs form but does not exist in the bulk counterpart, which elucidates the anomalies of previously reported experimental results on such bimetallic NCs.« less

Electronic structure of uranium overlayers on magnesium and aluminium

NASA Astrophysics Data System (ADS)

Gouder, T.

1997-06-01

We studied U overlayers on polycrystalline Mg and Al by X-ray and ultra-violet photoelectron spectroscopies (XPS and UPS, respectively), and compared the mode of growth and the evolution of the electronic structure as a function of coverage. The goal of this work was to detect localization, or at least correlation effects, in U overlayers and U substrate near surface alloys, which were expected to occur because of the reduced U 5f bandwidth in these systems. On Mg, U deposits as a pure overlayer without any interdiffusion, while on Al spontaneous interdiffusion takes place. The U 4f spectra of {U}/{Mg} show only weak correlation satellites. Nevertheless, the asymmetrical shape of the U 4f peak indicates 5f band narrowing. On Al, strong correlation satellites are observed in addition to plasmon loss features. It seems that U-substrate interactions promote correlation effects, while the reduced coordination in overlayers plays a less important role. UPS valence-band (VB) spectra of the two systems look remarkably similar. They do not show any correlation satellites. With decreasing overlayer thickness the 5f peak narrows, which is attributed to 5f band narrowing at the surface.

The Microstructural Evolution of Vacuum Brazed 1Cr18Ni9Ti Using Various Filler Metals

PubMed Central

Chen, Yunxia; Cui, Haichao; Lu, Binfeng; Lu, Fenggui

2017-01-01

The microstructures and weldability of a brazed joint of 1Cr18Ni9Ti austenitic stainless steel with BNi-2, BNi82CrSiBFe and BMn50NiCuCrCo filler metals in vacuum were investigated. It can be observed that an interdiffusion region existed between the filler metal and the base metal for the brazed joint of Ni-based filler metals. The width of the interdiffusion region was about 10 μm, and the microstructure of the brazed joint of BNi-2 filler metal was dense and free of obvious defects. In the case of the brazed joint of BMn50NiCuCrCo filler metal, there were pits, pores and crack defects in the brazing joint due to insufficient wettability of the filler metal. Crack defects can also be observed in the brazed joint of BNi82CrSiBFe filler metal. Compared with BMn50NiCuCrCo and BNi82CrSiBFe filler metals, BNi-2 filler metal is the best material for 1Cr18Ni9Ti austenitic stainless steel vacuum brazing because of its distinct weldability. PMID:28772745

The isothermal-oxidation behavior of several nickel-base single-crystal superalloys with and without coatings

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

Goebel, M.; Rahmel, A.; Schuetze, M.

1993-04-01

Several commercial single-crystal superalloys (CMSX-2, CMSX-3, CMSX-4, CMSX-6, SRR 99) and some laboratory versions of one of them (CMSX-4) with various Y-additions were investigated concerning their oxidation resistance in air at temperatures between 800 and 1,200[degrees]C. The investigations also included two materials (CMSX-6, SRR 99) with an RT-22 coating. Weight change was recorded for times of up to 1,000 hr (in some cases up to 1,600 hr). Oxidized coatings and substrates were characterized by metallography, SEM, and microprobe analysis. Most of the alloys showed good oxidation resistance up to 1,000[degrees]C, while there was complete spalling during cooling after oxidation atmore » 1,150[degrees]C and 1,200[degrees]C for the uncoated and Y-free alloys. Coated alloys were superior, however the best behavior was shown by a laboratory version of CMSX-4 containing between 10 and 60 ppm Y. Interdiffusion at 1,000[degrees]C is tolerable for the coated alloys, but there was extremely rapid degradation of the coating by interdiffusion at 1,200[degrees]C. 20 refs., 26 figs., 6 tabs.« less

Influences of Indium Tin Oxide Layer on the Properties of RF Magnetron-Sputtered (BaSr)TiO3 Thin Films on Indium Tin Oxide-Coated Glass Substrate

NASA Astrophysics Data System (ADS)

Kim, Tae Song; Oh, Myung Hwan; Kim, Chong Hee

1993-06-01

Nearly stoichiometric ((Ba+Sr)/Ti=1.08-1.09) and optically transparent (BaSr)TiO3 thin films were deposited on an indium tin oxide (ITO)-coated glass substrate by means of rf magnetron sputtering for their application to the insulating layer of an electroluminescent flat panel display. The influence of the ITO layer on the properties of (BaSr)TiO3 thin films deposited on the ITO-coated substrate was investigated. The ITO layer did not affect the crystallographic orientation of (BaSr)TiO3 thin film, but enhanced the grain growth. Another effect of the ITO layer on (BaSr)TiO3 thin films was the interdiffusion phenomenon, which was studied by means of secondary ion mass spectrometry (SIMS). As the substrate temperature increased, interdiffusion intensified at the interface not only between the grown film and ITO layer but also between the ITO layer and base glass substrate. The refractive index (nf) of (BaSr)TiO3 thin film deposited on a bare glass substrate was 2.138-2.286, as a function of substrate temperature.

Ternary bulk heterojunction for wide spectral range organic photodetectors

NASA Astrophysics Data System (ADS)

Shin, Hojung; Kim, Jaehoon; Lee, Changhee

2017-08-01

Ternary bulk heterojunction (BHJ) system, dual electron donors and an acceptor, was studied for developing wide spectral range organic photodetectors (OPDs). With two electron donor polymers with different bandgaps and an efficient electron acceptor of [6,6]-Phenyl-C71-butyric acid methyl ester (PC70BM), different blend ratios for ternary BHJ OPD were examined to achieve high photoresponsivity over a wide spectral range. OPDs based on ternary BHJ showed improved photovoltage response compared to binary BHJ. Current-voltage (J-V) characteristics as a function of external bias and light illumination were measured to reveal the underlying charge recombination mechanism which is found to be dominantly ruled by space charge limit (SCL) effect. Additional in-depth analyses including absorbance, cross-section scanning electron microscope (SEM), incident photon-to-electron conversion efficiency (IPCE) were performed.

Performance Enhancement of Polymer Solar Cells by Using Two Polymer Donors with Complementary Absorption Spectra.

PubMed

Lu, Heng; Zhang, Xuejuan; Li, Cuihong; Wei, Hedi; Liu, Qian; Li, Weiwei; Bo, Zhishan

2015-07-01

Performance enhancement of polymer solar cells (PSCs) is achieved by expanding the absorption of the active layer of devices. To better match the spectrum of solar radiation, two polymers with different band gaps are used as the donor material to fabricate ternary polymer cells. Ternary blend PSCs exhibit an enhanced short-circuit current density and open-circuit voltage in comparison with the corresponding HD-PDFC-DTBT (HD)- and DT-PDPPTPT (DPP)-based binary polymer solar cells, respectively. Ternary PSCs show a power conversion efficiency (PCE) of 6.71%, surpassing the corresponding binary PSCs. This work demonstrates that the fabrication of ternary PSCs by using two polymers with complementary absorption is an effective way to improve the device performance. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Synthesis and loading-dependent characteristics of nitrogen-doped graphene foam/carbon nanotube/manganese oxide ternary composite electrodes for high performance supercapacitors.

PubMed

Cheng, Tao; Yu, Baozhi; Cao, Linli; Tan, Huiyun; Li, Xinghua; Zheng, Xinliang; Li, Weilong; Ren, Zhaoyu; Bai, Jinbo

2017-09-01

The ternary composite electrodes, nitrogen-doped graphene foam/carbon nanotube/manganese dioxide (NGF/CNT/MnO 2 ), have been successfully fabricated via chemical vapor deposition (CVD) and facile hydrothermal method. The morphologies of the MnO 2 nanoflakes presented the loading-dependent characteristics and the nanoflake thickness could also be tuned by MnO 2 mass loading in the fabrication process. The correlation between their morphology and electrochemical performance was systematically investigated by controlling MnO 2 mass loading in the ternary composite electrodes. The electrochemical properties of the flexible ternary electrode (MnO 2 mass loading of 70%) exhibited a high areal capacitance of 3.03F/cm 2 and a high specific capacitance of 284F/g at the scan rate of 2mV/s. Moreover, it was interesting to find that the capacitance of the NGF/CNT/MnO 2 composite electrodes showed a 51.6% increase after 15,000 cycles. The gradual increase in specific capacitance was due to the formation of defective regions in the MnO 2 nanostructures during the electrochemical cycles of the electrodes, which further resulted in increased porosity, surface area, and consequently increased electrochemical capacity. This work demonstrates a rarely reported conclusion about loading-dependent characteristics for the NGF/CNT/MnO 2 ternary composite electrodes. It will bring new perspectives on designing novel ternary or multi-structure for various energy storage applications. Copyright © 2017 Elsevier Inc. All rights reserved.

The Indecision Model of Psychophysical Performance in Dual-Presentation Tasks: Parameter Estimation and Comparative Analysis of Response Formats

PubMed Central

García-Pérez, Miguel A.; Alcalá-Quintana, Rocío

2017-01-01

Psychophysical data from dual-presentation tasks are often collected with the two-alternative forced-choice (2AFC) response format, asking observers to guess when uncertain. For an analytical description of performance, psychometric functions are then fitted to data aggregated across the two orders/positions in which stimuli were presented. Yet, order effects make aggregated data uninterpretable, and the bias with which observers guess when uncertain precludes separating sensory from decisional components of performance. A ternary response format in which observers are also allowed to report indecision should fix these problems, but a comparative analysis with the 2AFC format has never been conducted. In addition, fitting ternary data separated by presentation order poses serious challenges. To address these issues, we extended the indecision model of psychophysical performance to accommodate the ternary, 2AFC, and same–different response formats in detection and discrimination tasks. Relevant issues for parameter estimation are also discussed along with simulation results that document the superiority of the ternary format. These advantages are demonstrated by fitting the indecision model to published detection and discrimination data collected with the ternary, 2AFC, or same–different formats, which had been analyzed differently in the sources. These examples also show that 2AFC data are unsuitable for testing certain types of hypotheses. matlab and R routines written for our purposes are available as Supplementary Material, which should help spread the use of the ternary format for dependable collection and interpretation of psychophysical data. PMID:28747893

Development of interatomic potential of Ge(1- x - y )Si x Sn y ternary alloy semiconductors for classical lattice dynamics simulation

NASA Astrophysics Data System (ADS)

Tomita, Motohiro; Ogasawara, Masataka; Terada, Takuya; Watanabe, Takanobu

2018-04-01

We provide the parameters of Stillinger-Weber potentials for GeSiSn ternary mixed systems. These parameters can be used in molecular dynamics (MD) simulations to reproduce phonon properties and thermal conductivities. The phonon dispersion relation is derived from the dynamical structure factor, which is calculated by the space-time Fourier transform of atomic trajectories in an MD simulation. The phonon properties and thermal conductivities of GeSiSn ternary crystals calculated using these parameters mostly reproduced both the findings of previous experiments and earlier calculations made using MD simulations. The atomic composition dependence of these properties in GeSiSn ternary crystals obtained by previous studies (both experimental and theoretical) and the calculated data were almost exactly reproduced by our proposed parameters. Moreover, the results of the MD simulation agree with the previous calculations made using a time-independent phonon Boltzmann transport equation with complicated scattering mechanisms. These scattering mechanisms are very important in complicated nanostructures, as they allow the heat-transfer properties to be more accurately calculated by MD simulations. This work enables us to predict the phonon- and heat-related properties of bulk group IV alloys, especially ternary alloys.

Nanostructured starch combined with hydroxytyrosol in poly(vinyl alcohol) based ternary films as active packaging system.

PubMed

Luzi, Francesca; Fortunati, Elena; Di Michele, Alessandro; Pannucci, Elisa; Botticella, Ermelinda; Santi, Luca; Kenny, José Maria; Torre, Luigi; Bernini, Roberta

2018-08-01

Novel ternary films have been realized by using poly(vinyl alcohol) (PVA) as polymeric matrix, nanostructured starch as reinforcement phase and hydroxytyrosol (HTyr), a low-molecular phenolic compound present in olive oil, as antioxidant agent. Nanostructured starch, in the form of starch nanocrystals (NC) and nanoparticles (NP) obtained by acid hydrolysis and ultrasound irradiation of starch derived from the bread wheat variety Cadenza (WT, amylose content 33%) and a derived-high amylose line (HA, amylose content 75%), was considered. The developed multifunctional films were characterized in terms of morphological, thermal and optical properties, water absorption capacity, overall and specific migration into a food simulant and antioxidant properties. Experimental data showed a prolonged release of HTyr from all ternary films and the released HTyr retained a strong antioxidant activity. The data, compared to those of PVA/HTyr binary films, demonstrated the key role of nanostructured starch in the ternary formulations in promoting a gradual release of HTyr. Overall, PVA fillm combined with nanoparticles from low amylose starch and hydroxytyrosol resulted as the most promising ternary formulation for food packaging applications. Copyright © 2018 Elsevier Ltd. All rights reserved.

Ternary gradient metal-organic frameworks.

PubMed

Liu, Chong; Rosi, Nathaniel L

2017-09-08

Gradient MOFs contain directional gradients of either structure or functionality. We have successfully prepared two ternary gradient MOFs based on bMOF-100 analogues, namely bMOF-100/102/106 and bMOF-110/100/102, via cascade ligand exchange reactions. The cubic unit cell parameter discrepancy within an individual ternary gradient MOF crystal is as large as ∼1 nm, demonstrating the impressive compatibility and flexibility of the component MOF materials. Because of the presence of a continuum of unit cells, the pore diameters within individual crystals also change in a gradient fashion from ∼2.5 nm to ∼3.0 nm for bMOF-100/102/106, and from ∼2.2 nm to ∼2.7 nm for bMOF-110/100/102, indicating significant porosity gradients. Like previously reported binary gradient MOFs, the composition of the ternary gradient MOFs can be easily controlled by adjusting the reaction conditions. Finally, X-ray diffraction and microspectrophotometry were used to analyse fractured gradient MOF crystals by comparing unit cell parameters and absorbance spectra at different locations, thus revealing the profile of heterogeneity (i.e. gradient distribution of properties) and further confirming the formation of ternary gradient MOFs.

First principles study of surface stability and segregation of PdRuRh ternary metal alloy system

NASA Astrophysics Data System (ADS)

Aspera, Susan Meñez; Arevalo, Ryan Lacdao; Nakanishi, Hiroshi; Kasai, Hideaki

2018-05-01

The recognized importance on the studies of alloyed materials is due to the high possibility of forming designer materials that caters to different applications. In any reaction and application, the stability and configuration of the alloy combination are important. In this study, we analyzed the surface stability and segregation of ternary metal alloy system PdRuRh through first principles calculation using density functional theory (DFT). We considered the possibility of forming phases as observed in the binary combinations of elements, i.e., completely miscible, and separating phases. With that, the model we analyzed for the ternary metal alloy slabs considers forming complete atomic miscibility, segregation of each component, and segregation of one component with mixing of the two other. Our results show that for the ternary combination of Pd, Rh and Ru, the Pd atoms have high tendency to segregate at the surface, while due to the high tendency of Ru and Rh to mix, core formation of a mixed RuRh is possible. Also, we determined that the trend of stability in the binary alloy system is a good determinant of stability in the ternary alloy system.

9.0% power conversion efficiency from ternary all-polymer solar cells

DOE PAGES

Li, Zhaojun; Xu, Xiaofeng; Zhang, Wei; ...

2017-01-01

High-performance ternary all-polymer solar cells with outstanding efficiency of 9.0% are realized by incorporating two donor and one acceptor polymers with complementary absorption and proper energy level alignment.

Evaluation of ternary cementitious combinations : research project capsule.

DOT National Transportation Integrated Search

2009-03-01

PROBLEM: Many entities currently use fly ash, slag, and other supplementary cementitious materials (SCMs) in Portland cement concrete (PCC) pavement and structures. Although the body of knowledge is limited, several states are currently using ternary...

Binary and ternary gas mixtures for use in glow discharge closing switches

DOEpatents

Hunter, S.R.; Christophorou, L.G.

1988-04-27

Highly efficient binary and ternary gas mixtures for use in diffuse glow discharge closing switches are disclosed. The binary mixtures are combinations of helium or neon and selected perfluorides. The ternary mixtures are combinations of helium, neon, or argon, a selected perfluoride, and a small amount of gas that exhibits enhanced ionization characteristics. These mixtures are shown to be the optimum choices for use in diffuse glow discharge closing switches by virtue if the combines physio-electric properties of the mixture components. 9 figs.

On the Relative Signs of "ROT-Effects" in Ternary and Binary Fission of 233U and 235U Nuclei Induced by Polarized Cold Neutrons

NASA Astrophysics Data System (ADS)

Danilyan, G. V.

2018-02-01

Signs of the ROT-effects in ternary fission of 233U and 235U experimentally defined by PNPI group are the same, whereas in binary fission defined by ITEP group are opposite. This contradiction cannot be explained by the errors in the experiments of both groups, since such instrumental effects would be too large not to be noticed. Therefore, it is necessary to find the answer to this problem in the differences of the ternary and binary fission mechanisms.

Macroscopic and molecular approaches of enrofloxacin retention in soils in presence of Cu(II).

PubMed

Graouer-Bacart, Mareen; Sayen, Stéphanie; Guillon, Emmanuel

2013-10-15

The co-adsorption of copper and the fluoroquinolone antibiotic enrofloxacin (ENR) at the water-soil interface was studied by means of batch adsorption experiments, and extended X-ray absorption fine structure (EXAFS) spectroscopy. The system was investigated over a pH range between 6 and 10, at different contact times, ionic strengths, and ENR concentrations. Adsorption coefficient - Kd - was determined at relevant environmental concentrations and the value obtained in water at a ionic strength imposed by the soil and at soil natural pH was equal to 0.66Lg(-1). ENR adsorption onto the soil showed strong pH dependence illustrating the influence of the electrostatic interactions in the sorption processes. The simultaneous co-adsorption of ENR and Cu(II) on the soil was also investigated. The presence of Cu(II) strongly influenced the retention of the antibiotic, leading to an increase up to 35% of adsorbed ENR amount. The combined quantitative and spectroscopic results showed that Cu(II) and ENR directly interacted at the water-soil interface to form ternary surface complexes. Cu K-edge EXAFS data indicated a molecular structure where the carboxylate and carbonyl groups of ENR coordinate to Cu(II) to form a 6-membered chelate ring and where Cu(II) bridges between ENR and the soil surface sites. Cu(II) bonds bidentately to the surface in an inner-sphere mode. Thus, the spectroscopic data allowed us to propose the formation of ternary surface complexes with the molecular architecture soil-Cu(II)-ENR. Copyright © 2013 Elsevier Inc. All rights reserved.

Phase composition and tribomechanical properties of Ti-B-C nanocomposite coatings prepared by magnetron sputtering

NASA Astrophysics Data System (ADS)

Sánchez-López, J. C.; Abad, M. D.; Justo, A.; Gago, R.; Endrino, J. L.; García-Luis, A.; Brizuela, M.

2012-09-01

Protective nanocomposite coatings based on hard ceramic phases (TiC, TiB2) combined with amorphous carbon (a-C) are of interest because of their adequate balance between mechanical and tribological performances. In this work, Ti-B-C nanocomposite coatings were prepared by co-sputtering of graphite and TiB2 targets. Varying the discharge power ratio applied to the graphite and TiB2 targets from 0 to 2, the a-C content in the coatings could be tuned from 0 to 60%, as observed by means of Raman and x-ray photoelectron spectroscopy (XPS). The microstructural characterization demonstrated a progressive decrease in crystallinity from an initial nanocrystalline (nc) TiB2-like structure to a distorted TiBxCy ternary compound with increasing C concentration. X-ray absorption near-edge structure measurements on the B K-edge helped to determine a hexagonal arrangement around the B atoms in the ternary TiBxCy phase. A fitting analysis of the C 1s XPS peak allowed us to evaluate the relative amount of a-C and TiBxCy components. A drastic change in hardness (from 52 to 13 GPa) and friction coefficient values (from 0.8 to 0.2) is noticed when moving from nc-TiB2 to TiBC/a-C nanocomposites. The fraction of a-C necessary to decrease the friction below 0.2 was found to be 45%. Raman observation of the wear tracks determined the presence of disordered sp2-bonded carbon phase associated with the diminution of the friction level.

Structural, optical and electrical properties of copper antimony sulfide thin films grown by a citrate-assisted single chemical bath deposition

NASA Astrophysics Data System (ADS)

Loranca-Ramos, F. E.; Diliegros-Godines, C. J.; Silva González, R.; Pal, Mou

2018-01-01

Copper antimony sulfide (CAS) has been proposed as low toxicity and earth abundant absorber materials for thin film photovoltaics due to their suitable optical band gap, high absorption coefficient and p-type electrical conductivity. The present work reports the formation of copper antimony sulfide by chemical bath deposition using sodium citrate as a complexing agent. We show that by tuning the annealing condition, one can obtain either chalcostibite or tetrahedrite phase. However, the main challenge was co-deposition of copper and antimony as ternary sulfides from a single chemical bath due to the distinct chemical behavior of these metals. The as-deposited films were subjected to several trials of thermal treatment using different temperatures and time to find the optimized annealing condition. The films were characterized by different techniques including Raman spectroscopy, X-ray diffraction (XRD), profilometer, scanning electron microscopy (SEM), UV-vis spectrophotometer, and Hall Effect measurements. The results show that the formation of chalcostibite and tetrahedrite phases is highly sensitive to annealing conditions. The electrical properties obtained for the chalcostibite films varied as the annealing temperature increases from 280 to 350 °C: hole concentration (n) = 1017-1018 cm-3, resistivity (ρ) = 1.74-2.14 Ωcm and carrier mobility (μ) = 4.7-9.26 cm2/Vseg. While for the tetrahedrite films, the electrical properties were n = 5 × 1019 cm-3, μ = 18.24 cm2/Vseg, and ρ = 5.8 × 10-3 Ωcm. A possible mechanism for the formation of ternary copper antimony sulfide has also been proposed.

Tuning of "antenna effect" of Eu(III) in ternary systems in aqueous medium through binding with protein.

PubMed

Ghorai, Shyamal Kr; Samanta, Swarna Kamal; Mukherjee, Manini; Saha Sardar, Pinki; Ghosh, Sanjib

2013-02-04

A simple ternary system containing a protein [human serum albumin (HSA)/bovine serum albumin (BSA)], tetracycline hydrochloride (TC), and Eu(III) in suitable aqueous buffer medium at physiological pH (= 7.2) has been shown to exhibit highly efficient "antenna effect" compared to the binary complex of TC with Eu(III) (Eu(3)TC). The ternary system containing E. coli alkaline phosphatase (AP), TC, and Eu(III), however, shows a slight enhancement of Eu(III) emission, although the binding constant of AP with TC is 2 orders of magnitude greater than with BSA/HSA. The enhanced emission of bound TC in the binary systems containing proteins and TC gets quenched in the ternary systems containing HSA/BSA, showing the efficient energy transfer (ET) from TC to Eu(III). Steady state and time-resolved emission studies of each component in all the ternary systems in H(2)O and in D(2)O medium reveal that Eu(III) is very well protected from the O-H oscillator in the ternary system containing HSA/BSA compared to that containing AP. The docking studies locating the binding site of TC in the proteins suggest that TC binds near the surface of AP. In the case of HSA/BSA, TC resides in the interior of the protein resulting in a large shielding effect of Eu(III). The rotational correlation time (θ(c)) determined from the anisotropy decay of bound TC in the complexes and the accessible surface area (ASA) of the ligand in the complexes obtained from the docking studies also support the contention that Eu(3)TC is more exposed to solvent in the case of the ternary system consisting of AP, TC, and Eu(III). The calculated radiative lifetime and the sensitization efficiency ratio of Eu(III) in all the systems clearly demonstrate the protein mediated tuning of "antenna effect" in Eu(III).

Photoeletrocatalytic activity of an n-ZnO/p-Cu2O/n-TNA ternary heterojunction electrode for tetracycline degradation.

PubMed

Li, Jinhua; Lv, Shubin; Liu, Yanbiao; Bai, Jing; Zhou, Baoxue; Hu, Xiaofang

2013-11-15

In this study, a novel ternary heterojunction n-ZnO/p-Cu2O/n-TiO2 nanotube arrays (n-ZnO/p-Cu2O/n-TNA) nanophotocatalyst with a sandwich-like nanostructure was constructed and applied for the photoelectrocatalytic (PEC) degradation of typical PPCPs, tetracycline (TC). The ternary heterojunction n-ZnO/p-Cu2O/n-TNA was obtained by depositing Cu2O on the surface of TNA via sonoelectrochemical deposition (SED) and subsequently building a layer of ZnO onto the p-Cu2O/n-TNA surface through hydrothermal synthesis. After being deposited by the Cu2O, the absorption-band edge of the p-Cu2O/n-TNA was obviously red-shifted to the visible region (to 505 nm), and the band gap was reduced from its original 3.20 eV to 2.46 eV. The band gap absorption edge of the ternary n-ZnO/p-Cu2O/n-TNA is similar to that of p-Cu2O/n-TN and extends the visible spectrum absorption to 510 nm, corresponding to an Eg value of about 2.43 eV. Under illumination of visible light, the photocurrent density of the ternary heterojunction n-ZnO/p-Cu2O/n-TNA electrode at 0.5 V (vs. Ag/AgCl) was more than 106 times as high as that of the pure TNAs electrode, 3.6 times as high as that of the binary heterojunction p-Cu2O/n-TNA electrode. The degradation of TC indicated that the ternary heterojunction n-ZnO/p-Cu2O/n-TNA electrode maintained a very high photoelectrocatalytic activity and excellent stability and reliability. Such kind of ternary heterojunction electrode material has a broad application prospect not only in pollution control but also in many other fields. Copyright © 2013 Elsevier B.V. All rights reserved.

Some Geometric Aspects of the Ternary Diagram.

ERIC Educational Resources Information Center

Philip, G. M.; Watson, D. F.

1989-01-01

Uses the process of normalization in the Cartesian coordinate system which entails radial projection onto a transect to compare different compositions of minerals. Warns that the ternary diagram should not be used as a framework for calculations. (MVL)

Hardness and Second Phase Percentage of Ni-Ti-Hf Compounds After Heat Treatment at 700C

NASA Technical Reports Server (NTRS)

Stanford, Malcolm K.

2017-01-01

The Vickers hardness and second phase precipitation of three ternary intermetallic Ni-Ti-Hf compounds containing either 1, 3 or 5 at.% Hf were compared to 60-Nitinol (55 at.% Ni - 45 at.% Ti). Heat treatment either at 700 C or with a subsequent aging step, hardened the 3 and 5 at.% Hf-containing ternaries to approximately 620 HV (56 HRC). Heat treatment increased the hardness of the 1 at.% Hf compound by more than 25 percent. Average hardness of the 3 and 5 at.% Hf ternaries, though higher than that of the binary Ni-Ti or the Ni-Ti-Hf compound containing 1 at.% Hf, appeared to be fairly insensitive to the different heat treatments. There was a drastic reduction of fatigue-enhancing second phase precipitates for the 5 at.% Hf ternaries compared to the other compounds. These results should guide materials selection for development of aerospace componentry.

Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides

PubMed Central

Bolla, Geetha; Nangia, Ashwini

2016-01-01

A novel design strategy for cocrystals of a sulfonamide drug with pyridine carboxamides and cyclic amides is developed based on synthon identification as well as size and shape match of coformers. Binary adducts of acetazolamide (ACZ) with lactams (valerolactam and caprolactam, VLM, CPR), cyclic amides (2-pyridone, labeled as 2HP and its derivatives MeHP, OMeHP) and pyridine amides (nicotinamide and picolinamide, NAM, PAM) were obtained by manual grinding, and their single crystals by solution crystallization. The heterosynthons in the binary cocrystals of ACZ with these coformers suggested a ternary combination for ACZ with pyridone and nicotinamide. Novel supramolecular synthons of ACZ with lactams and pyridine carboxamides are reported together with binary and ternary cocrystals for a sulfonamide drug. This crystal engineering study resulted in the first ternary cocrystal of acetazolamide with amide coformers, ACZ–NAM–2HP (1:1:1). PMID:27006778

Binary and ternary cocrystals of sulfa drug acetazolamide with pyridine carboxamides and cyclic amides.

PubMed

Bolla, Geetha; Nangia, Ashwini

2016-03-01

A novel design strategy for cocrystals of a sulfonamide drug with pyridine carboxamides and cyclic amides is developed based on synthon identification as well as size and shape match of coformers. Binary adducts of acetazolamide (ACZ) with lactams (valerolactam and caprolactam, VLM, CPR), cyclic amides (2-pyridone, labeled as 2HP and its derivatives MeHP, OMeHP) and pyridine amides (nicotinamide and picolinamide, NAM, PAM) were obtained by manual grinding, and their single crystals by solution crystallization. The heterosynthons in the binary cocrystals of ACZ with these coformers suggested a ternary combination for ACZ with pyridone and nicotinamide. Novel supramolecular synthons of ACZ with lactams and pyridine carboxamides are reported together with binary and ternary cocrystals for a sulfonamide drug. This crystal engineering study resulted in the first ternary cocrystal of acetazolamide with amide coformers, ACZ-NAM-2HP (1:1:1).

Fabrication of wide-band-gap Mg{sub x}Zn{sub 1-x}O quasi-ternary alloys by molecular-beam epitaxy

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

Tanaka, Hiroshi; Fujita, Shigeo; Fujita, Shizuo

2005-05-09

A series of wurtzite MgZnO quasi-ternary alloys, which consist of wurtzite MgO/ZnO superlattices, were grown by molecular-beam epitaxy on sapphire substrates. By changing the thicknesses of ZnO layers and/or of MgO layers of the superlattice, the band-gap energy was artificially tuned from 3.30 to 4.65 eV. The highest band gap, consequently realized by the quasi-ternary alloy, was larger than that of the single MgZnO layer, we have ever reported, keeping the wurtzite structure. The band gap of quasi-ternary alloys was well analyzed by the Kronig-Penny model supposing the effective masses of wurtzite MgO as 0.30m{sub 0} and (1-2)m{sub 0} formore » electrons and holes, respectively.« less

Negative electrode composition

DOEpatents

Kaun, Thomas D.; Chilenskas, Albert A.

1982-01-01

A secondary electrochemical cell and a negative electrode composition for use therewith comprising a positive electrode containing an active material of a chalcogen or a transiton metal chalcogenide, a negative electrode containing a lithium-aluminum alloy and an amount of a ternary alloy sufficient to provide at least about 5 percent overcharge capacity relative to a negative electrode solely of the lithium-aluminum alloy, the ternary alloy comprising lithium, aluminum, and iron or cobalt, and an electrolyte containing lithium ions in contact with both of the positive and the negative electrodes. The ternary alloy is present in the electrode in the range of from about 5 percent to about 50 percent by weight of the electrode composition and may include lithium-aluminum-nickel alloy in combination with either the ternary iron or cobalt alloys. A plurality of series connected cells having overcharge capacity can be equalized on the discharge side without expensive electrical equipment.

Solid-liquid phase equilibria in the ternary system (LiBO2 + Li2CO3 + H2O) at 288.15 and 298.15 K

NASA Astrophysics Data System (ADS)

Wang, Shi-qiang; Guo, Ya-fei; Yang, Jian-sen; Deng, Tian-long

2015-12-01

Experimental studies on the solubilities and physicochemical properties including density, refractive index and pH value in the ternary systems (LiBO2 + Li2CO3 + H2O) at 288.15 and 298.15 K were determined with the method of isothermal dissolution equilibrium. Based on the experimental results, the phase diagrams and their corresponding physicochemical properties versus composition diagram in the system were plotted. In the phase diagrams of the ternary system at 288.15 and 298.15 K, there are one eutectic point and two crystallization regions corresponding to lithium metaborate octahydrate (LiBO2 · 8H2O) and lithium carbonate (Li2CO3), respectively. This system at both temperatures belongs to hydrate type I, and neither double salt nor solid solution was found. A comparison of the phase diagrams for this ternary system at 288.15 and 298.15 K shows that the solid phase numbers and exist minerals are the same, and the area of crystallization region of Li2CO3 is increased obviously with the increasing temperature while that of LiBO2 · 8H2O is decreased. The physicochemical properties (density, pH value and refractive index) of the solutions of the ternary system at two temperatures changes regularly with the increasing lithium carbonate concentration. The calculated values of density and refractive index using empirical equations of the ternary system are in good agreement with the experimental values.

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

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

Li, Yuwei; Zhang, Lijun; Singh, David J.

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

New stable ternary alkaline-earth metal Pb(II) oxides: Ca / Sr / BaPb 2 O 3 and BaPbO 2

DOE PAGES

Li, Yuwei; Zhang, Lijun; Singh, David J.

2017-10-16

The different but related chemical behaviors of Pb(II) oxides compared to Sn(II) oxides, and the existence of known alkali/alkali-earth metal Sn(II) ternary phases, suggest that there should be additional ternary Pb(II) oxide phases. Here, we report structure searches on the ternary alkaline-earth metal Pb(II) oxides leading to four new phases. These are two ternary Pb(II) oxides, SrPb 2O 3 and BaPb 2O 3, which have larger chemical potential stability ranges compared with the corresponding Sn(II) oxides, and additionally two other ternary Pb(II) oxides, CaPb 2O 3 and BaPbO 2, for which there are no corresponding Sn(II) oxides. Those Pb(II) oxidesmore » are stabilized by Pb-rich conditions. These structures follow the Zintl behavior and consist of basic structural motifs of (PbO 3) 4- anionic units separated and stabilized by the alkaline-earth metal ions. They show wide band gaps ranging from 2.86 to 3.12 eV, and two compounds (CaPb 2O 3 and SrPb 2O 3) show rather light hole effective masses (around 2m 0). The valence band maxima of these compounds have a Pb-6s/O-2p antibonding character, which may lead to p-type defect (or doping) tolerant behavior. This then suggests alkaline-earth metal Pb(II) oxides may be potential p-type transparent conducting oxides.« less

Single Molecule Measurements of Interaction Free Energies Between the Proteins Within Binary and Ternary SNARE Complexes

PubMed Central

Liu, W.; Montana, Vedrana; Parpura, Vladimir; Mohideen, U.

2010-01-01

We use an Atomic Force Microscope based single molecule measurements to evaluate the activation free energy in the interaction of SNARE proteins syntaxin 1A, SNAP25B and synaptobrevin 2 which regulate intracellular fusion of vesicles with target membranes. The dissociation rate of the binary syntaxin-synaptobrevin and the ternary syntaxin-SNAP25B-synaptobrevin complex was measured from the rupture force distribution as a function of the rate of applied force. The temperature dependence of the spontaneous dissociation rate was used to obtain the activation energy to the transition state of 19.8 ± 3.5 kcal/mol = 33 ± 6 kBT and 25.7 ± 3.0 kcal/mol = 43 ± 5 kBT for the binary and ternary complex, respectively. They are consistent with those measured previously for the ternary complex in lipid membranes and are of order expected for bilayer fusion and pore formation. The ΔG was 12.4–16.6 kcal/mol = 21–28 kBT and 13.8–18.0 kcal/mol = 23–30 kBT for the binary and ternary complex, respectively. The ternary complex was more stable by 1.4 kcal/mol = 2.3 kBT, consistent with the spontaneous dissociation rates. The higher adhesion energies and smaller molecular extensions measured with SNAP25B point to its possible unique and important physiological role in tethering/docking the vesicle in closer proximity to the plasma membrane and increasing the probability for fusion completion. PMID:20107522

Utilizing Energy Transfer in Binary and Ternary Bulk Heterojunction Organic Solar Cells.

PubMed

Feron, Krishna; Cave, James M; Thameel, Mahir N; O'Sullivan, Connor; Kroon, Renee; Andersson, Mats R; Zhou, Xiaojing; Fell, Christopher J; Belcher, Warwick J; Walker, Alison B; Dastoor, Paul C

2016-08-17

Energy transfer has been identified as an important process in ternary organic solar cells. Here, we develop kinetic Monte Carlo (KMC) models to assess the impact of energy transfer in ternary and binary bulk heterojunction systems. We used fluorescence and absorption spectroscopy to determine the energy disorder and Förster radii for poly(3-hexylthiophene-2,5-diyl), [6,6]-phenyl-C61-butyric acid methyl ester, 4-bis[4-(N,N-diisobutylamino)-2,6-dihydroxyphenyl]squaraine (DIBSq), and poly(2,5-thiophene-alt-4,9-bis(2-hexyldecyl)-4,9-dihydrodithieno[3,2-c:3',2'-h][1,5]naphthyridine-5,10-dione). Heterogeneous energy transfer is found to be crucial in the exciton dissociation process of both binary and ternary organic semiconductor systems. Circumstances favoring energy transfer across interfaces allow relaxation of the electronic energy level requirements, meaning that a cascade structure is not required for efficient ternary organic solar cells. We explain how energy transfer can be exploited to eliminate additional energy losses in ternary bulk heterojunction solar cells, thus increasing their open-circuit voltage without loss in short-circuit current. In particular, we show that it is important that the DIBSq is located at the electron donor-acceptor interface; otherwise charge carriers will be trapped in the DIBSq domain or excitons in the DIBSq domains will not be able to dissociate efficiently at an interface. KMC modeling shows that only small amounts of DIBSq (<5% by weight) are needed to achieve substantial performance improvements due to long-range energy transfer.

A silencing-mediated enhancement of osteogenic differentiation by supramolecular ternary siRNA polyplexes comprising biocleavable cationic polyrotaxanes and anionic fusogenic peptides.

PubMed

Inada, Takasuke; Tamura, Atsushi; Terauchi, Masahiko; Yamaguchi, Satoshi; Yui, Nobuhiko

2018-01-30

Gene silencing of noggin by small interfering RNA (siRNA) is a promising approach for the treatment of bone defects, because noggin deactivates bone morphogenetic protein-2 (BMP-2) and suppresses osteogenic differentiation. Here, we demonstrated the silencing of the noggin gene by siRNA polyplexes composed of noggin-targeted siRNA and biocleavable cationic polyrotaxanes (DMAE-SS-PRX). To improve the endosomal escape efficiencies of the DMAE-SS-PRX/siRNA polyplexes, anionic and fusogenic GALA peptides were integrated onto the DMAE-SS-PRX/siRNA polyplexes via simple electrostatic interactions. The formation of ternary complexes was confirmed by gel electrophoresis, dynamic light scattering, and zeta-potential measurements. Although the association of GALA peptides with the DMAE-SS-PRX/siRNA polyplexes did not remarkably affect the cellular uptake efficiency of siRNA, the endosomal escape efficiency was remarkably increased for GALA/DMAE-SS-PRX/siRNA ternary polyplexes because of the endosomal and lysosomal membrane destabilization by GALA peptides. Consequently, GALA/DMAE-SS-PRX/siRNA ternary polyplexes showed significantly higher gene silencing efficiency against noggin and enhanced the BMP-2-mediated osteogenic differentiation efficiency. Therefore, we concluded that GALA/DMAE-SS-PRX/siRNA ternary polyplexes can be effective siRNA carriers for suppressing the expression of specific endogenous genes. Consequently, we believe that a more practical approach in vivo will be the combined use of BMP-2 and GALA/DMAE-SS-PRX/siRNA ternary polyplexes, because it will improve the efficacy of bone regeneration therapy.

Layer Structure of a Refractory Multilayer Ti/Al Composite After Pressure Diffusion Welding

NASA Astrophysics Data System (ADS)

Karpov, M. I.; Korzhov, V. P.; Zheltyakova, I. S.

2016-05-01

A composite refractory material with layer structure obtained by the method of pressure diffusion welding of multilayer Ti/Al packets composed of Ti- and Al-foils is studied. The welding temperature of the packets does not exceed 1200 - 1250°C. A layer structure forms in the process of interdiffusion of titanium and aluminum during welding of the packets.

Plasmonic-Enhanced Catalysis

DTIC Science & Technology

2012-05-30

shifts that cannot be merely explained hydride formation. These unexpected LSPR shifts may be explained by Au/Pd interdiffusion or silicide formation...photocurrent on a chemically modified gold thin film of metal -semiconductor (TiO2) Schottky diodes. • Intrinsic correlation between the hot electron flow...reaction to study catalyst nanoparticles at the single particle level. As hydrogen gas dissociates and intercalates into Pd, Pd changes from a metal to

Article having an improved platinum-aluminum-hafnium protective coating

NASA Technical Reports Server (NTRS)

Nagaraj, Bangalore Aswatha (Inventor); Williams, Jeffrey Lawrence (Inventor)

2005-01-01

An article protected by a protective coating has a substrate and a protective coating having an outer layer deposited upon the substrate surface and a diffusion zone formed by interdiffusion of the outer layer and the substrate. The protective coating includes platinum, aluminum, no more than about 2 weight percent hafnium, and substantially no silicon. The outer layer is substantially a single phase.

Sub-micrometer yttrium iron garnet LPE films with low ferromagnetic resonance losses

NASA Astrophysics Data System (ADS)

Dubs, Carsten; Surzhenko, Oleksii; Linke, Ralf; Danilewsky, Andreas; Brückner, Uwe; Dellith, Jan

2017-05-01

Using a liquid phase epitaxy (LPE) technique (1 1 1) yttrium iron garnet (YIG) films with thicknesses of  ≈100 nm and surface roughnesses as low as 0.3 nm have been grown on (1 1 1) gadolinium gallium garnet (GGG) substrates as a basic material for spin-wave propagation experiments in microstructured waveguides. The continuously strained films exhibit nearly perfect crystallinity without significant mosaicity and with effective lattice misfits of Δ {{a}\\bot}/{{a}s}≈ {{10}-4} and below. The film/substrate interface is extremely sharp without broad interdiffusion layer formation. All LPE films exhibit a nearly bulk-like saturation magnetization of (1800+/- 20 ) Gs and an ‘easy cone’ anisotropy type with extremely small in-plane coercive fields  <0.2 Oe. There is a rather weak in-plane magnetic anisotropy with a pronounced six-fold symmetry observed for the saturation field  <1.5 Oe. No significant out-of-plane anisotropy is observed, but a weak dependence of the effective magnetization on the lattice misfit is detected. The narrowest ferromagnetic resonance linewidth is determined to be 1.4 Oe @ 6.5 GHz which is the lowest value reported so far for YIG films of 100 nm thicknesses and below. The Gilbert damping coefficient for investigated LPE films is estimated to be close to 1× {{10}-4} .

Very large scale heterogeneous integration (VLSHI) and wafer-level vacuum packaging for infrared bolometer focal plane arrays

NASA Astrophysics Data System (ADS)

Forsberg, Fredrik; Roxhed, Niclas; Fischer, Andreas C.; Samel, Björn; Ericsson, Per; Hoivik, Nils; Lapadatu, Adriana; Bring, Martin; Kittilsland, Gjermund; Stemme, Göran; Niklaus, Frank

2013-09-01

Imaging in the long wavelength infrared (LWIR) range from 8 to 14 μm is an extremely useful tool for non-contact measurement and imaging of temperature in many industrial, automotive and security applications. However, the cost of the infrared (IR) imaging components has to be significantly reduced to make IR imaging a viable technology for many cost-sensitive applications. This paper demonstrates new and improved fabrication and packaging technologies for next-generation IR imaging detectors based on uncooled IR bolometer focal plane arrays. The proposed technologies include very large scale heterogeneous integration for combining high-performance, SiGe quantum-well bolometers with electronic integrated read-out circuits and CMOS compatible wafer-level vacuum packing. The fabrication and characterization of bolometers with a pitch of 25 μm × 25 μm that are arranged on read-out-wafers in arrays with 320 × 240 pixels are presented. The bolometers contain a multi-layer quantum well SiGe thermistor with a temperature coefficient of resistance of -3.0%/K. The proposed CMOS compatible wafer-level vacuum packaging technology uses Cu-Sn solid-liquid interdiffusion (SLID) bonding. The presented technologies are suitable for implementation in cost-efficient fabless business models with the potential to bring about the cost reduction needed to enable low-cost IR imaging products for industrial, security and automotive applications.

Alternatives for joining Si wafers to strain-accommodating Cu for high-power electronics

NASA Astrophysics Data System (ADS)

Faust, Nicholas; Messler, Robert W.; Khatri, Subhash

2001-10-01

Differences in the coefficients of thermal expansion (CTE) between silicon wafers and underlying copper electrodes have led to the use of purely mechanical dry pressure contacts for primary electrical and thermal connections in high-power solid-state electronic devices. These contacts are limited by their ability to dissipate I2R heat from within the device and by their thermal fatigue life. To increase heat dissipation and effectively deal with the CTE mismatch, metallurgical bonding of the silicon to a specially-structured, strain-accommodating copper electrode has been proposed. This study was intended to seek alternative methods for and demonstrate the feasibility of bonding Si to structured Cu in high-power solid-state devices. Three different but fundamentally related fluxless approaches identified and preliminarily assessed were: (1) conventional Sn-Ag eutectic solder; (2) a new, commercially-available active solder based on the Sn-Ag eutectic; and (3) solid-liquid interdiffusion bonding using the Au-In system. Metallurgical joints were made with varying quality levels (according to nonde-structive ultrasonic C-scan mapping, SEM, and electron microprobe) using each approach. Mechanical shear testing resulted in cohesive failure within the Si or the filler alloys. The best approach, in which eutectic Sn-Ag solder in pre-alloyed foil form was employed on Si and Cu substrates metallized (from the substrate outward) with Ti, Ni and Au, exhibited joint thermal conduction 74% better than dry pressure contacts.

Numerical simulation of plagioclase rim growth during magma ascent at Bezymianny Volcano, Kamchatka

NASA Astrophysics Data System (ADS)

Gorokhova, N. V.; Melnik, O. E.; Plechov, P. Yu.; Shcherbakov, V. D.

2013-08-01

Slow CaAl-NaSi interdiffusion in plagioclase crystals preserves chemical zoning of plagioclase in detail, which, along with strong dependence of anorthite content in plagioclase on melt composition, pressure, and temperature, make this mineral an important source of information on magma processes. A numerical model of zoned crystal growth is developed in the paper. The model is based on equations of multicomponent diffusion with diagonal cross-component diffusion terms and accounts for mass conservation on the melt-crystal interface and growth rate controlled by undercooling. The model is applied to the data of plagioclase rim zoning from several recent Bezymianny Volcano (Kamchatka) eruptions. We show that an equilibrium growth model cannot explain crystallization of naturally observed plagioclase during magma ascent. The developed non-equilibrium model reproduced natural plagioclase zoning and allowed magma ascent rates to be constrained. Matching of natural and simulated zoning suggests ascent from 100 to 50 MPa during 15-20 days. Magma ascent rate from 50 MPa to the surface varies from eruption to eruption: plagioclase zoning from the December 2006 eruption suggests ascent to the surface in less than 1 day, whereas plagioclase zoning from March 2000 and May 2007 eruptions are better explained by magma ascent over periods of more than 30 days). Based on comparison of diffusion coefficients for individual elements a mechanism of atomic diffusion during plagioclase crystallization is proposed.

Low-Temperature Thermoelectric Properties of Fe2VAl with Partial Cobalt Doping

NASA Astrophysics Data System (ADS)

Liu, Chang; Morelli, Donald T.

2012-06-01

Ternary metallic alloy Fe2VAl with a pseudogap in its energy band structure has received intensive scrutiny for potential thermoelectric applications. Due to the sharp change in the density of states profile near the Fermi level, interesting transport properties can be triggered to render possible enhancement in the overall thermoelectric performance. Previously, this full-Heusler-type alloy was partially doped with cobalt at the iron sites to produce a series of compounds with n-type conductivity. Their thermoelectric properties in the temperature range of 300 K to 850 K were reported. In this research, efforts were made to extend the investigation on (Fe1- x Co x )2VAl to the low-temperature range. Alloy samples were prepared by arc-melting and annealing. Seebeck coefficient, electrical resistivity, and thermal conductivity measurements were performed from 80 K to room temperature. The effects of cobalt doping on the material's electronic and thermal properties are discussed.

Microstructure and wear properties of laser clad Ti2Ni3Si/Ni3Ti multiphase intermetallic coatings

NASA Astrophysics Data System (ADS)

Wang, H. M.; Tang, H. B.; Cai, L. X.; Cao, F.; Zhang, L. Y.; Yu, R. L.

2005-05-01

Wear resistant Ti2Ni3Si/Ni3Ti multiphase intermetallic coatings with a microstructure consisting of Ti2Ni3Si primary dendrites and interdendritic Ti2Ni3Si/Ni3Ti eutectic were fabricated on a substrate of 0.2% C plain carbon steel by a laser cladding process with Ti-Ni-Si alloy powders. The Ti2Ni3Si/Ni3Ti coatings have excellent wear resistance and a low coefficient of friction under metallic dry sliding wear test conditions with hardened 0.45% C carbon steel as the silide-mating counterpart. The excellent tribological properties of the coating are attributed to the high hardness, strong covalent-dominant atomic bonds of the ternary metal silicide Ti2Ni3Si and to the high yield strength and strong yield anomaly of the intermetallic compound Ni3Ti.

Material growth and characterization for solid state devices

NASA Technical Reports Server (NTRS)

Collis, Ward J.; Abul-Fadl, Ali; Iyer, Shanthi

1988-01-01

During the period of this research grant, the process of liquid phase electroepitaxy (LPEE) was used to grow ternary and quaternary alloy III-V semiconductor thin films. Selective area growth of InGaAs was performed on InP substrates using a patterned sputtered quartz or spin-on glass layer. The etch back and growth characteristics with respect to substrate orientation were investigated. The etch back behavior is somewhat different from wet chemical etching with respect to the sidewall profiles which are observed. LPEE was also employed to grow epitaxial layers of InGaAsP alloys on InP substrates. The behavior of Mn as an acceptor dopant was investigated with low temperature Hall coefficient and photoluminescence measurements. A metal-organic vapor phase epitaxy system was partially complete within the grant period. This atmospheric pressure system will be used to deposit III-V compound and alloy semiconductor layers in future research efforts.

Improving the Charge Carrier Transport and Suppressing Recombination of Soluble Squaraine-Based Solar Cells via Parallel-Like Structure

PubMed Central

Zhu, Youqin; Liu, Jingli; Zhao, Jiao; Li, Yang; Qiao, Bo; Song, Dandan; Huang, Yan; Xu, Zheng; Zhao, Suling; Xu, Xurong

2018-01-01

Small molecule organic solar cells (SMOSCs) have attracted extensive attention in recent years. Squaraine (SQ) is a kind of small molecule material for potential use in high-efficiency devices, because of its high extinction coefficient and low-cost synthesis. However, the charge carrier mobility of SQ-based film is much lower than other effective materials, which leads to the pretty low fill factor (FF). In this study, we improve the performance of SQ derivative-based solar cells by incorporating PCDTBT into LQ-51/PC71BM host binary blend film. The incorporation of PCDTBT can not only increase the photon harvesting, but also provide an additional hole transport pathway. Through the charge carrier mobility and transient photovoltage measurement, we find that the hole mobility and charge carrier lifetime increase in the ternary system. Also, we carefully demonstrate that the charge carrier transport follows a parallel-like behavior. PMID:29747394

Oxygen diffusion model of the mixed (U,Pu)O2 ± x: Assessment and application

NASA Astrophysics Data System (ADS)

Moore, Emily; Guéneau, Christine; Crocombette, Jean-Paul

2017-03-01

The uranium-plutonium (U,Pu)O2 ± x mixed oxide (MOX) is used as a nuclear fuel in some light water reactors and considered for future reactor generations. To gain insight into fuel restructuring, which occurs during the fuel lifetime as well as possible accident scenarios understanding of the thermodynamic and kinetic behavior is crucial. A comprehensive evaluation of thermo-kinetic properties is incorporated in a computational CALPHAD type model. The present DICTRA based model describes oxygen diffusion across the whole range of plutonium, uranium and oxygen compositions and temperatures by incorporating vacancy and interstitial migration pathways for oxygen. The self and chemical diffusion coefficients are assessed for the binary UO2 ± x and PuO2 - x systems and the description is extended to the ternary mixed oxide (U,Pu)O2 ± x by extrapolation. A simulation to validate the applicability of this model is considered.

Characterization of microstructural, mechanical and thermophysical properties of Th-52U alloy

NASA Astrophysics Data System (ADS)

Das, Santanu; Kaity, S.; Kumar, R.; Banerjee, J.; Roy, S. B.; Chaudhari, G. P.; Daniel, B. S. S.

2016-11-01

Th-52 wt.% U alloy has a microstructure featuring interspersed networks of uranium rich and thorium rich phases. Room temperature hardness of the alloy is more than twice that of unalloyed thorium. The alloy age hardens (550 °C) only slightly (peak hardness/hardness of solution heated and quenched = 1.05). Room temperature thermal conductivity (25.6 W m-1 °C-1) is close to that of uranium and most of the binary and ternary metallic alloy fuel materials. Average linear coefficient of thermal expansion (CTE) of Th-52 wt.% U alloy [11.2 × 10-06 °C-1 (27-290 °C) and 16.75 × 10-06 °C-1 (27-600 °C)] are comparable with that of many metallic alloy fuel candidates. Th-52 wt.% U alloy with non-age hardenable microstructure, appreciable thermal conductivity, moderate thermal expansion may find metallic fuel applications in nuclear reactors.

The use of ternary mixtures in concrete.

DOT National Transportation Integrated Search

2014-05-01

This manual is a summary of the findings of a comprehensive study. Its purpose is to provide engineers with the information they need to make educated decisions on the use of ternary mixtures for constructing concrete structures. It discusses the eff...

Polytherm of the CO(NH2)2-KNO3-H2O phase diagram

NASA Astrophysics Data System (ADS)

Yulina, I. V.; Trunin, A. S.

2017-05-01

The crystallization polytherm of the ternary CO(NH2)2-KNO3-H2O system is plotted for the first time via visual polythermal analysis and calculating ternary eutonics characteristics from data on the boundary elements of two-component systems. The ternary eutonics modeling error does not exceed 3.5%. In addition to the crystallization fields of individual components, the field of the redox reaction that occurs in the system between potassium nitrate and carbamide is shown in the CO(NH2)2-KNO3-H2O diagram by a dashed outline.

Synthesis and Characterization of the First Liquid Single Source Precursors for the Deposition of Ternary Chalcopyrite (CuInS2) Thin Film Materials

NASA Technical Reports Server (NTRS)

Banger, Kulbinder K.; Cowen, Jonathan; Hepp, Aloysius

2002-01-01

Molecular engineering of ternary single source precursors based on the [{PBu3}2Cu(SR')2In(SR')2] architecture have afforded the first liquid CIS ternary single source precursors (when R = Et, n-Pr), which are suitable for low temperature deposition (< 350 C). Thermogravimetric analyses (TGA) and modulated-differential scanning calorimetry (DSC) confirm their liquid phase and reduced stability. X-ray diffraction studies, energy dispersive analyzer (EDS), and scanning electron microscopy (SEM) support the formation of the single-phase chalcopyrite CuInS2 at low temperatures.

Glass transition behavior of ternary disaccharide-ethylene glycol-water solutions

NASA Astrophysics Data System (ADS)

Yu, Tongxu; Zhao, Lishan; Wang, Qiang; Cao, Zexian

2017-06-01

Glass transition behavior of ternary disaccharide-ethylene glycol-water solutions, in reference to that of the binary combinations, has been investigated towards a better understanding of their cryoprotective ability. In water-deficient solutions, the disaccharides, including trehalose, sucrose and maltose, can associate with more than 100 ethylene glycol molecules to form amorphous complex, one order of magnitude larger than the corresponding hydration numbers. In water-rich solutions, a second glass transition emerges with increasing molar fraction of ethylene glycol, indicating the possible synergy of disaccharides and ethylene glycol in vitrification of the ternary aqueous solution.

Electrochemical Synthesis of Binary and Ternary Refractory Compounds in the System Ti-Si-B from Chloride-Fluoride Melts

NASA Astrophysics Data System (ADS)

Devyatkin, Sergei V.

2007-09-01

Electrochemical synthesis of binary and ternary compounds in the system Ti-Si-B from chloridefluoride melts has been investigated by voltammetry and electrolysis. Electrochemical syntheses of titanium diboride, four titanium silicides (TiSi2, TiSi, Ti5Si4, Ti5Si3), silicon tetraboride and a new ternary compound, Ti5Si3B3, have been found to be one-step processes. The stoichiometry of the deposited compounds has been found to correlate with the bulk concentration of Ti, Si and B ions in the melt.

Estimation of F-3 and F-4 knock-limited performance ratings for ternary and quaternary blends containing triptane or other high-antiknock aviation-fuel blending agents

NASA Technical Reports Server (NTRS)

Barnett, Henry C

1948-01-01

Charts are presented that permit the estimation of F-3 and F-4 knock-limited performance ratings for certain ternary and quaternary fuel blends. Ratings for various ternary and quaternary blends estimated from these charts compare favorably with experimental F-3 and F-4 ratings. Because of the unusual behavior of some of the aromatic blends in the F-3 engine, the charts for aromatic-paraffinic blends are probably less accurate than the charts for purely paraffinic blends.

Ternary carbon composite films for supercapacitor applications

NASA Astrophysics Data System (ADS)

Tran, Minh-Hai; Jeong, Hae Kyung

2017-09-01

A simple, binder-free, method of making supercapacitor electrodes is introduced, based on modification of activated carbon with graphite oxide and carbon nanotubes. The three carbon precursors of different morphologies support each other to provide outstanding electrochemical performance, such as high capacitance and high energy density. The ternary carbon composite shows six times higher specific capacitance compared to that of activated carbon itself with high retention. The excellent electrochemical properties of the ternary composite attribute to the high surface area of 1933 m2 g-1 and low equivalent series resistance of 2 Ω, demonstrating that it improve the electrochemical performance for supercapacitor applications.

A Stimulation Function of Synaptotagmin-1 in Ternary SNARE Complex Formation Dependent on Munc18 and Munc13

PubMed Central

Li, Yun; Wang, Shen; Li, Tianzhi; Zhu, Le; Xu, Yuanyuan; Ma, Cong

2017-01-01

The Ca2+ sensor synaptotagmin-1 (Syt1) plays an essential function in synaptic exocytosis. Recently, Syt1 has been implicated in synaptic vesicle priming, a maturation step prior to Ca2+-triggered membrane fusion that is believed to involve formation of the ternary SNARE complex and require priming proteins Munc18-1 and Munc13-1. However, the mechanisms of Syt1 in synaptic vesicle priming are still unclear. In this study, we found that Syt1 stimulates the transition from the Munc18-1/syntaxin-1 complex to the ternary SNARE complex catalyzed by Munc13-1. This stimulation can be further enhanced in a membrane-containing environment. Further, we showed that Syt1, together with Munc18-1 and Munc13-1, stimulates trans ternary SNARE complex formation on membranes in a manner resistant to disassembly factors NSF and α-SNAP. Disruption of a proposed Syt1/SNARE binding interface strongly abrogated the stimulation function of Syt1. Our results suggest that binding of Syt1 to an intermediate SNARE assembly with Munc18-1 and Munc13-1 is critical for the stimulation function of Syt1 in ternary SNARE complex formation, and this stimulation may underlie the priming function of Syt1 in synaptic exocytosis. PMID:28860966

The durability of concrete containing a high-level of fly ash or a ternary blend of supplementary cementing materials

NASA Astrophysics Data System (ADS)

Gilbert, Christine M.

The research for this study was conducted in two distinct phases as follows: Phase 1: The objective was to determine the effect of fly ash on the carbonation of concrete. The specimens made for this phase of the study were larger in size than those normally used in carbonation studies and were are meant to more accurately reflect real field conditions. The results from early age carbonation testing indicate that the larger size specimens do not have a measured depth of carbonation as great as that of the smaller specimens typically used in carbonation studies at the same age and under the same conditions. Phase 2: The objective was to evaluate the performance of ternary concrete mixes containing a ternary cement blend consisting of Portland cement, slag and Type C fly ash. It was found that concrete mixtures containing the fly ash with the lower calcium (CaO) content (in binary or ternary blends) provided superior durability performance and resistance to ASR compared to that of the fly ash with the higher CaO content. Ternary blends (regardless of the CaO content of the fly ash) provided better overall durability performance than binary blends of cementing materials or the control.

Omnidirectional photonic band gap enlarged by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure

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

Zhang Haifeng; Nanjing Artillery Academy, Nanjing 211132; Liu Shaobin

2012-11-15

In this paper, an omnidirectional photonic band gap realized by one-dimensional ternary unmagnetized plasma photonic crystals based on a new Fibonacci quasiperiodic structure, which is composed of homogeneous unmagnetized plasma and two kinds of isotropic dielectric, is theoretically studied by the transfer matrix method. It has been shown that such an omnidirectional photonic band gap originates from Bragg gap in contrast to zero-n gap or single negative (negative permittivity or negative permeability) gap, and it is insensitive to the incidence angle and the polarization of electromagnetic wave. From the numerical results, the frequency range and central frequency of omnidirectional photonicmore » band gap can be tuned by the thickness and density of the plasma but cease to change with increasing Fibonacci order. The bandwidth of omnidirectional photonic band gap can be notably enlarged. Moreover, the plasma collision frequency has no effect on the bandwidth of omnidirectional photonic band gap. It is shown that such new structure Fibonacci quasiperiodic one-dimensional ternary plasma photonic crystals have a superior feature in the enhancement of frequency range of omnidirectional photonic band gap compared with the conventional ternary and conventional Fibonacci quasiperiodic ternary plasma photonic crystals.« less

Directional Solidification and Liquidus Projection of the Sn-Co-Cu System

NASA Astrophysics Data System (ADS)

Chen, Sinn-Wen; Chang, Jui-Shen; Pan, Kevin; Hsu, Chia-Ming; Hsu, Che-Wei

2013-04-01

This study investigates the Sn-Co-Cu ternary system, which is of interest to the electronics industry. Ternary Sn-Co-Cu alloys were prepared, their as-solidified microstructures were examined, and their primary solidification phases were determined. The primary solidification phases observed were Cu, Co, Co3Sn2, CoSn, CoSn2, Cu6Sn5, Co3Sn2, γ, and β phases. Although there are ternary compounds reported in this ternary system, no ternary compound was found as the primary solidification phase. The directional solidification technique was applied when difficulties were encountered using the conventional quenching method to distinguish the primary solidification phases, such as Cu6Sn5, Cu3Sn, and γ phases. Of all the primary solidification phases, the Co3Sn2 and Co phases have the largest compositional regimes in which alloys display them as the primary solidification phases. There are four class II reactions and four class III reactions. The reactions with the highest and lowest reaction temperatures are both class III reactions, and are L + CoSn2 + Cu6Sn5 = CoSn3 at 621.5 K (348.3 °C) and L + Co3Sn2 + CoSn = Cu6Sn5 at 1157.8 K (884.6 °C), respectively.

Organic alloy systems suitable for the investigation of regular binary and ternary eutectic growth

NASA Astrophysics Data System (ADS)

Sturz, L.; Witusiewicz, V. T.; Hecht, U.; Rex, S.

2004-09-01

Transparent organic alloys showing a plastic crystal phase were investigated experimentally using differential scanning calorimetry and directional solidification with respect to find a suitable model system for regular ternary eutectic growth. The temperature, enthalpy and entropy of phase transitions have been determined for a number of pure substances. A distinction of substances with and without plastic crystal phases was made from their entropy of melting. Binary phase diagrams were determined for selected plastic crystal alloys with the aim to identify eutectic reactions. Examples for lamellar and rod-like eutectic solidification microstructures in binary systems are given. The system (D)Camphor-Neopentylglycol-Succinonitrile is identified as a system that exhibits, among others, univariant and a nonvariant eutectic reaction. The ternary eutectic alloy close to the nonvariant eutectic composition solidifies with a partially faceted solid-liquid interface. However, by adding a small amount of Amino-Methyl-Propanediol (AMPD), the temperature of the nonvariant eutectic reaction and of the solid state transformation from plastic to crystalline state are shifted such, that regular eutectic growth with three distinct nonfaceted phases is observed in univariant eutectic reaction for the first time. The ternary phase diagram and examples for eutectic microstructures in the ternary and the quaternary eutectic alloy are given.

Liquidus Projections of Bi-Se-Ga and Bi-Se-Te Ternary Systems

NASA Astrophysics Data System (ADS)

Lin, Po-han; Chen, Sinn-wen; Hwang, Jenn-dong; Chu, Hsu-shen

2016-12-01

This study determines the liquidus projections of both Bi-Se-Ga and Bi-Se-Te ternary systems which are constituent ternary systems of promising Bi-Se-Te-Ga thermoelectric materials. Ternary Bi-Se-Ga and Bi-Se-Te alloys are prepared. Their primary solidification phases are experimentally determined, and thermal analysis experiments are carried out. The liquidus projections are determined based on the ternary experimental results and phase diagrams of constituent binary systems. The Bi-Se-Ga system includes seven primary solidification phases, Bi, Ga, GaSe, Ga2Se3, Se, Bi2Se3, and (Bi2)n(Bi2Se3)m. In the Bi-Se-Te system, there are five primary solidification phases, Bi, (Bi2)n(Bi2Te3)m, Bi2(Se,Te)3, (Se,Te), and (Bi2)n(Bi2Se3)m. Both the (Bi2)n(Bi2Te3)m and (Bi2)n(Bi2Se3)m phases are not a single phase, but a collection of series undetermined phases. Large miscibility gaps are observed in the Bi-Se-Ga system. The temperatures of the invariant reactions, Liquid + Bi + GaSe = Ga and Liquid + Ga2Se3 = Bi + GaSe, are at 495 K (222 °C) and 533 K (260 °C), respectively.

Cyclic growth and dissolution of camphor crystals in quinary, ternary, and binary solutions: A study on crystal behavior in storm glass

NASA Astrophysics Data System (ADS)

Mitsuya, Takuro; Takahashi, Kyohei; Nagashima, Kazushige

2014-09-01

"Storm glass" is a hermetically sealed glass tube containing a solution of camphor. In 19th-century England, the pattern and quantity of the crystals were observed and interpreted as a weather forecasting tool. In the present study, the appearance of camphor crystals under cyclic temperature change was studied in three sample solutions, the storm glass solution (quinary system), camphor-ethanol-water (ternary system), and camphor-ethanol (binary system), to elucidate the effect of components in the storm glass on the appearance of camphor crystals. Equilibrium temperatures of camphor crystals as a function of the camphor concentration were also obtained to estimate the quantity of camphor crystals precipitated in the solutions. During the temperature cycles, the crystal height increased and decreased. The ranges (local maxima and minima) of crystal heights gradually decreased to approximately a constant range. Not only the crystal height but also the amplitude of the height variation in the quinary and ternary systems were much larger than those in the binary system, although the estimated weights of crystals precipitated in the quinary and ternary systems were smaller than that in the binary system. This fact resulted from the formation of dendrites in the quinary and ternary systems, which caused high porosity of sedimented crystals.

TiO2, SiO2 and ZrO2 Nanoparticles Synergistically Provoke Cellular Oxidative Damage in Freshwater Microalgae

PubMed Central

Liu, Yinghan; Ye, Nan; Fang, Hao; Wang, Degao

2018-01-01

Metal-based nanoparticles (NPs) are the most widely used engineered nanomaterials. The individual toxicities of metal-based NPs have been plentifully studied. However, the mixture toxicity of multiple NP systems (n ≥ 3) remains much less understood. Herein, the toxicity of titanium dioxide (TiO2) nanoparticles (NPs), silicon dioxide (SiO2) NPs and zirconium dioxide (ZrO2) NPs to unicellular freshwater algae Scenedesmus obliquus was investigated individually and in binary and ternary combination. Results show that the ternary combination systems of TiO2, SiO2 and ZrO2 NPs at a mixture concentration of 1 mg/L significantly enhanced mitochondrial membrane potential and intracellular reactive oxygen species level in the algae. Moreover, the ternary NP systems remarkably increased the activity of the antioxidant defense enzymes superoxide dismutase and catalase, together with an increase in lipid peroxidation products and small molecule metabolites. Furthermore, the observation of superficial structures of S. obliquus revealed obvious oxidative damage induced by the ternary mixtures. Taken together, the ternary NP systems exerted more severe oxidative stress in the algae than the individual and the binary NP systems. Thus, our findings highlight the importance of the assessment of the synergistic toxicity of multi-nanomaterial systems. PMID:29419775

A high-performance ternary Si composite anode material with crystal graphite core and amorphous carbon shell

NASA Astrophysics Data System (ADS)

Sui, Dong; Xie, Yuqing; Zhao, Weimin; Zhang, Hongtao; Zhou, Ying; Qin, Xiting; Ma, Yanfeng; Yang, Yong; Chen, Yongsheng

2018-04-01

Si is a promising anode material for lithium-ion batteries, but suffers from sophisticated engineering structures and complex fabrication processes that pose challenges for commercial application. Herein, a ternary Si/graphite/pyrolytic carbon (SiGC) anode material with a structure of crystal core and amorphous shell using low-cost raw materials is developed. In this ternary SiGC composite, Si component exists as nanoparticles and is spread on the surface of the core graphite flakes while the sucrose-derived pyrolytic carbon further covers the graphite/Si components as the amorphous shell. With this structure, Si together with the graphite contributes to the high specific capacity of this Si ternary material. Also the graphite serves as the supporting and conducting matrix and the amorphous shell carbon could accommodate the volume change effect of Si, reinforces the integrity of the composite architecture, and prevents the graphite and Si from direct exposing to the electrolyte. The optimized ternary SiGC composite displays high reversible specific capacity of 818 mAh g-1 at 0.1 A g-1, initial Coulombic efficiency (CE) over 80%, and excellent cycling stability at 0.5 A g-1 with 83.6% capacity retention (∼610 mAh g-1) after 300 cycles.

Thermoelectric properties of Co(x)Ni(4-x)Sb(12-y)Sn(y) ternary skutterudites

NASA Technical Reports Server (NTRS)

Mackey, Jon A.; Dynys, Frederick W.; Sehirlioglu, Alp

2014-01-01

Thermoelectric materials based on the skutterudite crystal structure have demonstrated enhanced performance (ZT greater than 1), along with good thermal stability and favorable mechanical properties. Binary skutterudites, with single and multiple fillers, have been intensively studied in recent years. Compared to binary skutterudites, the ternary systems have received less attention, e.g. Ni4Sb8Sn4. Ternary skutterudites are isoelectronic variants of binary skutterudites; cation substitutions appear to be isostructural to their binary analogues. In general, ternary skutterudites exhibit lower thermal conductivity. Ternary systems of Ni4Bi8Ge4, Ni4Sb8Ge4, and Ni4Sb8Sn4 were investigated using combined solidification and sintering steps. Skutterudite formation was not achieved in the Ni4Bi8Ge4 and Ni4Sb8Ge4 systems; skutterudite formation occurred in Ni4Sb8Sn4 system. P-type material was achieved by Co substitution for Ni. Thermoelectric properties were measured from 298 K to 673 K for Ni4Sb8Sn4, Ni4 Sb7Sn5 and Co2Ni2Sb7Sn5. N-type Ni4Sb8Sn4 exhibit the highest figure of merit of 0.1 at 523 K.

Mechanical properties of bulk graphene oxide/poly(acrylic acid)/poly(ethylenimine) ternary polyelectrolyte complex.

PubMed

Duan, Yipin; Wang, Chao; Zhao, Mengmeng; Vogt, Bryan D; Zacharia, Nicole S

2018-05-30

Ternary complexes formed in a single pot process through the mixing of cationic (branched polyethylenimine, BPEI) and anionic (graphene oxide, GO, and poly(acrylic acid), PAA) aqueous solutions exhibit superior mechanical performance in comparison to their binary analogs. The composition of the ternary complex can be simply tuned through the composition of the anionic solution, which influences the water content and mechanical properties of the complex. Increasing the PAA content in the complex decreases the overall water content due to improved charge compensation with the BPEI, but this change also significantly improves the toughness of the complex. Ternary complexes containing ≤32 wt% PAA were too brittle to generate samples for tensile measurements, while extension in excess of 250% could be reached with 57 wt% PAA. From this work, the influence of GO and PAA on the mechanical properties of GO/PAA/BPEI complexes were elucidated with GO sheets acting to restrain the viscous flow and improve the mechanical strength at low loading (<12.6 wt%) and PAA more efficiently complexes with BPEI than GO to generate a less swollen and stronger network. This combination overcomes the brittle nature of GO-BPEI complexes and viscous creep of PAA-BPEI complexes. Ternary nanocomposite complexes appear to provide an effective route to toughen and strengthen bulk polyelectrolyte complexes.

Enthalpies of mixing of liquid systems for lead free soldering: Al-Cu-Sn system.

PubMed

Flandorfer, Hans; Rechchach, Meryem; Elmahfoudi, A; Bencze, László; Popovič, Arkadij; Ipser, Herbert

2011-11-01

The present work refers to high-temperature drop calorimetric measurements on liquid Al-Cu, Al-Sn, and Al-Cu-Sn alloys. The binary systems have been investigated at 973 K, up to 40 at.% Cu in case of Al-Cu, and over the entire concentrational range in case of Al-Sn. Measurements in the ternary Al-Cu-Sn system were performed along the following cross-sections: x(Al)/x(Cu) = 1:1, x(Al)/x(Sn) = 1:1, x(Cu)/x(Sn) = 7:3, x(Cu)/x(Sn) = 1:1, and x(Cu)/x(Sn) = 3:7 at 1273 K. Experimental data were used to find ternary interaction parameters by applying the Redlich-Kister-Muggianu model for substitutional solutions, and a full set of parameters describing the concentration dependence of the enthalpy of mixing was derived. From these, the isoenthalpy curves were constructed for 1273 K. The ternary system shows an exothermic enthalpy minimum of approx. -18,000 J/mol in the Al-Cu binary and a maximum of approx. 4000 J/mol in the Al-Sn binary system. The Al-Cu-Sn system is characterized by considerable repulsive ternary interactions as shown by the positive ternary interaction parameters.

Model for the Prediction of the Hydriding Thermodynamics of Pd-Rh-Co Ternary Alloys

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

Teter, D.F.; Thoma, D.J.

1999-03-01

A dilute solution model (with respect to the substitutional alloying elements) has been developed, which accurately predicts the hydride formation and decomposition thermodynamics and the storage capacities of dilute ternary Pd-Rh-Co alloys. The effect of varying the rhodium and cobalt compositions on the thermodynamics of hydride formation and decomposition and hydrogen capacity of several palladium-rhodium-cobalt ternary alloys has been investigated using pressure-composition (PC) isotherms. Alloying in the dilute regime (<10 at.%) causes the enthalpy for hydride formation to linearly decrease with increasing alloying content. Cobalt has a stronger effect on the reduction in enthalpy than rhodium for equivalent alloying amounts.more » Also, cobalt reduces the hydrogen storage capacity with increasing alloying content. The plateau thermodynamics are strongly linked to the lattice parameters of the alloys. A near-linear dependence of the enthalpy of hydride formation on the lattice parameter was observed for both the binary Pd-Rh and Pd-Co alloys, as well as for the ternary Pd-Rh-Co alloys. The Pd-5Rh-3Co (at. %) alloy was found to have similar plateau thermodynamics as a Pd-10Rh alloy, however, this ternary alloy had a diminished hydrogen storage capacity relative to Pd-10Rh.« less

Alternative solution model for the ternary carbonate system CaCO3 - MgCO3 - FeCO3 - I. A ternary Bragg-Williams ordering model

USGS Publications Warehouse

McSwiggen, P.L.

1993-01-01

The minerals of the ternary carbonate system CaCO3 - MgCO3 - FeCO3 represent a complex series of solid solutions and ordering states. An understanding of those complexities requires a solution model that can both duplicate the subsolidus phase relationships and generate correct values for the activities. Such a solution model must account for the changes in the total energy of the system resulting from a change in the ordering state of the individual constituents. Various ordering models have been applied to binary carbonate systems, but no attempts have previously been made to model the ordering in the ternary system. This study derives a new set of equations that allow for the equilibrium degree of order to be calculated for a system involving three cations mixing on two sites, as in the case of the ternary carbonates. The method is based on the Bragg-Williams approach. From the degree of order, the mole fractions of the three cations in each of the two sites can be determined. Once the site occupancies have been established, a Margules-type mixing model can be used to determine the free energy of mixing in the solid solution and therefore the activities of the various components. ?? 1993 Springer-Verlag.

Characterization of U(VI)-carbonato ternary complexes on hematite: EXAFS and electrophoretic mobility measurements

USGS Publications Warehouse

Bargar, John R.; Reitmeyer, Rebecca; Lenhart, John J.; Davis, James A.

2000-01-01

We have measured U(VI) adsorption on hematite using EXAFS spectroscopy and electrophoresis under conditions relevant to surface waters and aquifers (0.01 to 10 μM dissolved uranium concentrations, in equilibrium with air, pH 4.5 to 8.5). Both techniques suggest the existence of anionic U(VI)-carbonato ternary complexes. Fits to EXAFS spectra indicate that U(VI) is simultaneously coordinated to surface FeO6 octahedra and carbonate (or bicarbonate) ligands in bidentate fashions, leading to the conclusion that the ternary complexes have an inner-sphere metal bridging (hematite-U(VI)-carbonato) structure. Greater than or equal to 50% of adsorbed U(VI) was comprised of monomeric hematite-U(VI)-carbonato ternary complexes, even at pH 4.5. Multimeric U(VI) species were observed at pH ≥ 6.5 and aqueous U(VI) concentrations approximately an order of magnitude more dilute than the solubility of crystalline β-UO2(OH)2. Based on structural constraints, these complexes were interpreted as dimeric hematite-U(VI)-carbonato ternary complexes. These results suggest that Fe-oxide-U(VI)-carbonato complexes are likely to be important transport-limiting species in oxic aquifers throughout a wide range of pH values.

Magnetization of ternary alloys based on Fe0.65Ni0.35 invar with 3d transition metal additions: An ab initio study

NASA Astrophysics Data System (ADS)

Onoue, Masatoshi; Trimarchi, Giancarlo; Freeman, Arthur J.; Popescu, Voicu; Matsen, Marc R.

2015-01-01

Smart susceptors are being developed for use as tooling surfaces in molding machines that use apply electro-magnetic induction heating to mold and form plastics or metal powders into structural parts, e.g., on aerospace and automotive manufacturing lines. The optimal magnetic materials for the induction heating process should have large magnetization, high magnetic permeability, but also small thermal expansion coefficient. The Fe0.65Ni0.35 invar alloy with its negligible thermal expansion coefficient is thus a natural choice for this application. Here, we use density functional theory as implemented through the Korringa-Kohn-Rostoker method within the coherent-potential approximation, to design new alloys with the large magnetization desired for smart susceptor applications. We consider the Fe0.65-xNi0.35-yMx+y alloys derived from Fe0.65Ni0.35 invar adding a third element M = Sc, Ti, V, Cr, Mn, or Co with concentration (x + y) reaching up to 5 at. %. We find that the total magnetization depends linearly on the concentration of M. Specifically, the early 3d transition metals from Sc to Cr decrease the magnetization with respect to that of the invar alloy whereas Mn and Co increase it.

Osmotic pressure and virial coefficients of star and comb polymer solutions: dissipative particle dynamics.

PubMed

Wang, Tzu-Yu; Fang, Che-Ming; Sheng, Yu-Jane; Tsao, Heng-Kwong

2009-03-28

The effects of macromolecular architecture on the osmotic pressure pi and virial coefficients (B(2) and B(3)) of star and comb polymers in good solvents are studied by dissipative particle dynamics simulations for both dilute and semiconcentrated regimes. The dependence of the osmotic pressure on polymer concentration is directly calculated by considering two reservoirs separated by a semipermeable, fictitious membrane. Our simulation results show that the ratios A(n+1) identical with B(n+1)/R(g)(3n) are essentially constant and A(2) and A(3) are arm number (f) dependent, where R(g) is zero-density radius of gyration. The value of dimensionless virial ratio g = A(3)/A(2)(2) increases with arm number of stars whereas it is essentially arm number independent for comb polymers. In semiconcentrated regime the scaling relation between osmotic pressure and volume fraction, pi proportional to phi(lambda), still holds for both star and comb polymers. For comb polymers, the exponent lambda is close to lambda(*) (approximately = 2.73 for linear chains) and is independent of the arm number. However, for star polymers, the exponent lambda deviates from lambda(*) and actually grows with increasing the arm number. This may be attributed to the significant ternary interactions near the star core in the many-arm systems.

The solubility and activity coefficient of oxygen in salt solutions and brines

NASA Astrophysics Data System (ADS)

Clegg, Simon L.; Brimblecombe, Peter

1990-12-01

Molal oxygen activity coefficients ( γO2) in aqueous salt solutions from 0-100°C have been calculated from O 2 solubility data and established Henry's law constants. Pitzer specific interaction model parameters λO2c, λO2a and ζO2ca have been determined for the following ions: H +, NH +4 Li +, Na +, Rb +, Cs +, Mg 2+, Ca 2+, Ba 2+, Al 3+, OH -, Cl -, Br -, I -, NO -3, SO 2-3, SO 2-4, HCO 3-, CO 32- and PO 3-4. Results confirm that the effect of individual ions on In ( γO2) is additive. Model calculations of γO2 in seawater agree with experimentally derived values at normal salinities to within 0.2% at 298 K and 0.65% at 273 K. Additional data for brines of seawater composition enable the model to be used to represent γO2 empirically to a salinity of 255 S%. The model has thus far only been parameterised from measurements for single salt solutions. Comparisons with experimental data for brines suggest that additional model parameters, obtained from ternary solution data, will be required for accurate representation of γO2 in mixed salt solutions above about 5 mol kg -1 total ion concentration.

Theoretical Study of the Transverse Dielectric Constant of Superlattices and Their Alloys. Ph.D Thesis

NASA Technical Reports Server (NTRS)

Kahen, K. B.

1986-01-01

The optical properties of III to V binary and ternary compounds and GaAs-Al(x)Ga(1-x)As superlattices are determined by calculating the real and imaginary parts of the transverse dielectric constant. Emphasis is given to determining the influence of different material and superlattice parameters on the values of the index of refraction and absorption coefficient. In order to calculate the optical properties of a material, it is necessary to compute its electronic band structure. This was accomplished by introducing a partition band structure approach based on a combination of the vector k x vector p and nonlocal pseudopotential techniques. The advantages of this approach are that it is accurate, computationally fast, analytical, and flexible. These last two properties enable incorporation of additional effects into the model, such as disorder scattering, which occurs for alloy materials and excitons. Furthermore, the model is easily extended to more complex structures, for example multiple quantum wells and superlattices. The results for the transverse dielectric constant and absorption coefficient of bulk III to V compounds compare well with other one-electron band structure models and the calculations show that for small frequencies, the index of refraction is determined mainly by the contibution of the outer regions of the Brillouin zone.

Laterally coupled distributed feedback lasers emitting at 2 μm with quantum dash active region and high-duty-cycle etched semiconductor gratings

NASA Astrophysics Data System (ADS)

Papatryfonos, Konstantinos; Saladukha, Dzianis; Merghem, Kamel; Joshi, Siddharth; Lelarge, Francois; Bouchoule, Sophie; Kazazis, Dimitrios; Guilet, Stephane; Le Gratiet, Luc; Ochalski, Tomasz J.; Huyet, Guillaume; Martinez, Anthony; Ramdane, Abderrahim

2017-02-01

Single-mode diode lasers on an InP(001) substrate have been developed using InAs/In0.53Ga0.47As quantum dash (Qdash) active regions and etched lateral Bragg gratings. The lasers have been designed to operate at wavelengths near 2 μm and exhibit a threshold current of 65 mA for a 600 μm long cavity, and a room temperature continuous wave output power per facet >5 mW. Using our novel growth approach based on the low ternary In0.53Ga0.47As barriers, we also demonstrate ridge-waveguide lasers emitting up to 2.1 μm and underline the possibilities for further pushing the emission wavelength out towards longer wavelengths with this material system. By introducing experimentally the concept of high-duty-cycle lateral Bragg gratings, a side mode suppression ratio of >37 dB has been achieved, owing to an appreciably increased grating coupling coefficient of κ ˜ 40 cm-1. These laterally coupled distributed feedback (LC-DFB) lasers combine the advantage of high and well-controlled coupling coefficients achieved in conventional DFB lasers, with the regrowth-free fabrication process of lateral gratings, and exhibit substantially lower optical losses compared to the conventional metal-based LC-DFB lasers.

Experimental determination of water activity for binary aqueous cerium(III) ionic solutions: application to an assessment of the predictive capability of the binding mean spherical approximation model.

PubMed

Ruas, Alexandre; Simonin, Jean-Pierre; Turq, Pierre; Moisy, Philippe

2005-12-08

This work is aimed at a description of the thermodynamic properties of actinide salt solutions at high concentration. The predictive capability of the binding mean spherical approximation (BIMSA) theory to describe the thermodynamic properties of electrolytes is assessed in the case of aqueous solutions of lanthanide(III) nitrate and chloride salts. Osmotic coefficients of cerium(III) nitrate and chloride were calculated from other lanthanide(III) salts properties. In parallel, concentrated binary solutions of cerium nitrate were prepared in order to measure experimentally its water activity and density as a function of concentration, at 25 degrees C. Water activities of several binary solutions of cerium chloride were also measured to check existing data on this salt. Then, the properties of cerium chloride and cerium nitrate solutions were compared within the BIMSA model. Osmotic coefficient values for promethium nitrate and promethium chloride given by this theory are proposed. Finally, water activity measurements were made to examine the fact that the ternary system Ce(NO3)3/HNO3/H2O and the quaternary system Ce(NO3)3/HNO3/N2H5NO3/H2O may be regarded as "simple solutions" (in the sense of Zdanovskii and Mikulin).

pH-specific hydrothermal assembly of binary and ternary Pb(II)-(O,N-carboxylic acid) metal organic framework compounds: correlation of aqueous solution speciation with variable dimensionality solid-state lattice architecture and spectroscopic signatures.

PubMed

Gabriel, C; Perikli, M; Raptopoulou, C P; Terzis, A; Psycharis, V; Mateescu, C; Jakusch, T; Kiss, T; Bertmer, M; Salifoglou, A

2012-09-03

Hydrothermal pH-specific reactivity in the binary/ternary systems of Pb(II) with the carboxylic acids N-hydroxyethyl-iminodiacetic acid (Heida), 1,3-diamino-2-hydroxypropane-N,N,N',N'-tetraacetic acid (Dpot), and 1,10-phenanthroline (Phen) afforded the new well-defined crystalline compounds [Pb(Heida)](n)·nH(2)O(1), [Pb(Phen)(Heida)]·4H(2)O(2), and [Pb(3)(NO(3))(Dpot)](n)(3). All compounds were characterized by elemental analysis, FT-IR, solution or/and solid-state NMR, and single-crystal X-ray diffraction. The structures in 1-2 reveal the presence of a Pb(II) center coordinated to one Heida ligand, with 1 exhibiting a two-dimensional (2D) lattice extending to a three-dimensional (3D) one through H-bonding interactions. The concurrent aqueous speciation study of the binary Pb(II)-Heida system projects species complementing the synthetic efforts, thereby lending credence to a global structural speciation strategy in investigating binary/ternary Pb(II)-Heida/Phen systems. The involvement of Phen in 2 projects the significance of nature and reactivity potential of N-aromatic chelators, disrupting the binary lattice in 1 and influencing the nature of the ultimately arising ternary 3D lattice. 3 is a ternary coordination polymer, where Pb(II)-Dpot coordination leads to a 2D metal-organic-framework material with unique architecture. The collective physicochemical properties of 1-3 formulate the salient features of variable dimensionality metal-organic-framework lattices in binary/ternary Pb(II)-(hydroxy-carboxylate) structures, based on which new Pb(II) materials with distinct architecture and spectroscopic signature can be rationally designed and pursued synthetically.

Contrasting performance of donor-acceptor copolymer pairs in ternary blend solar cells and two-acceptor copolymers in binary blend solar cells.

PubMed

Khlyabich, Petr P; Rudenko, Andrey E; Burkhart, Beate; Thompson, Barry C

2015-02-04

Here two contrasting approaches to polymer-fullerene solar cells are compared. In the first approach, two distinct semi-random donor-acceptor copolymers are blended with phenyl-C61-butyric acid methyl ester (PC61BM) to form ternary blend solar cells. The two poly(3-hexylthiophene)-based polymers contain either the acceptor thienopyrroledione (TPD) or diketopyrrolopyrrole (DPP). In the second approach, semi-random donor-acceptor copolymers containing both TPD and DPP acceptors in the same polymer backbone, termed two-acceptor polymers, are blended with PC61BM to give binary blend solar cells. The two approaches result in bulk heterojunction solar cells that have the same molecular active-layer components but differ in the manner in which these molecular components are mixed, either by physical mixing (ternary blend) or chemical "mixing" in the two-acceptor (binary blend) case. Optical properties and photon-to-electron conversion efficiencies of the binary and ternary blends were found to have similar features and were described as a linear combination of the individual components. At the same time, significant differences were observed in the open-circuit voltage (Voc) behaviors of binary and ternary blend solar cells. While in case of two-acceptor polymers, the Voc was found to be in the range of 0.495-0.552 V, ternary blend solar cells showed behavior inherent to organic alloy formation, displaying an intermediate, composition-dependent and tunable Voc in the range from 0.582 to 0.684 V, significantly exceeding the values achieved in the two-acceptor containing binary blend solar cells. Despite the differences between the physical and chemical mixing approaches, both pathways provided solar cells with similar power conversion efficiencies, highlighting the advantages of both pathways toward highly efficient organic solar cells.

Mechanical properties and cytocompatibility of carbon fibre reinforced nano-hydroxyapatite/polyamide66 ternary biocomposite.

PubMed

Zhang, Xuesong; Zhang, Yonggang; Zhang, Xuelian; Wang, Yan; Wang, Jiaqi; Lu, Ming; Li, Hong

2015-02-01

Fibre-reinforced composites with good strength and ductility as bone repair biomaterials have been attracting increasing attention in biomedical applications. In the present study, a novel ternary composite was prepared using carbon fibre (CF) to reinforce a nano-hydroxyapatite/polyamide66 composite (HA/PA). The interface and mechanical strength of the ternary composite (CF/HA/PA) were characterised. In addition, to assess the cytocompatibility, the composite was co-cultured with MG-63 cells, and the cell morphology, MTT, and ALP were tested. The results indicated that CFs were uniformly distributed in the HA/PA matrix with random orientation and that the CFs bonded well to the HA/PA matrix. The reinforced ternary composite exhibited a compressive strength of 116-212 MPa, a bending strength of 89-138 MPa, a tensile strength of 109-181 MPa, with the breaking elongation ratio of 6.2-9.1%, and a tensile modulus of 2.9-5.8 GPa, with the values varying with increasing CF content from 5 to 20 (mass fraction). The MG-63 cells of normal phenotype were well extended and spread onto the ternary composite surface. In addition, its proliferation and differentiation on the composite surface were significantly increased with time, indicating that the incorporation of CFs into HA/PA had little negative effects on MG-63 cells. The incorporation of CFs into a HA/PA66 composite improved the strength and ductility and introduced no negative effects on the cytocompatibility. Hence, the CF/HA/PA ternary composite has potential to be used as a bone repair materials and in fixation devices. Copyright © 2014 Elsevier Ltd. All rights reserved.

Human Lipopolysaccharide-binding Protein (LBP) and CD14 Independently Deliver Triacylated Lipoproteins to Toll-like Receptor 1 (TLR1) and TLR2 and Enhance Formation of the Ternary Signaling Complex*

PubMed Central

Ranoa, Diana Rose E.; Kelley, Stacy L.; Tapping, Richard I.

2013-01-01

Bacterial lipoproteins are the most potent microbial agonists for the Toll-like receptor 2 (TLR2) subfamily, and this pattern recognition event induces cellular activation, leading to host immune responses. Triacylated bacterial lipoproteins coordinately bind TLR1 and TLR2, resulting in a stable ternary complex that drives intracellular signaling. The sensitivity of TLR-expressing cells to lipoproteins is greatly enhanced by two lipid-binding serum proteins known as lipopolysaccharide-binding protein (LBP) and soluble CD14 (sCD14); however, the physical mechanism that underlies this increased sensitivity is not known. To address this, we measured the ability of LBP and sCD14 to drive ternary complex formation between soluble extracellular domains of TLR1 and TLR2 and a synthetic triacylated lipopeptide agonist. Importantly, addition of substoichiometric amounts of either LBP or sCD14 significantly enhanced formation of a TLR1·TLR2 lipopeptide ternary complex as measured by size exclusion chromatography. However, neither LBP nor sCD14 was physically associated with the final ternary complex. Similar results were obtained using outer surface protein A (OspA), a naturally occurring triacylated lipoprotein agonist from Borrelia burgdorferi. Activation studies revealed that either LBP or sCD14 sensitized TLR-expressing cells to nanogram levels of either the synthetic lipopeptide or OspA lipoprotein agonist. Together, our results show that either LBP or sCD14 can drive ternary complex formation and TLR activation by acting as mobile carriers of triacylated lipopeptides or lipoproteins. PMID:23430250

Density, ultrasound velocity, acoustic impedance, reflection and absorption coefficient determination of liquids via multiple reflection method.

PubMed

Hoche, S; Hussein, M A; Becker, T

2015-03-01

The accuracy of density, reflection coefficient, and acoustic impedance determination via multiple reflection method was validated experimentally. The ternary system water-maltose-ethanol was used to execute a systematic, temperature dependent study over a wide range of densities and viscosities aiming an application as inline sensor in beverage industries. The validation results of the presented method and setup show root mean square errors of: 1.201E-3 g cm(-3) (±0.12%) density, 0.515E-3 (0.15%) reflection coefficient and 1.851E+3 kg s(-1) m(-2) (0.12%) specific acoustic impedance. The results of the diffraction corrected absorption showed an average standard deviation of only 0.12%. It was found that the absorption change shows a good correlation to concentration variations and may be useful for laboratory analysis of sufficiently pure liquids. The main part of the observed errors can be explained by the observed noise, temperature variation and the low signal resolution of 50 MHz. In particular, the poor signal-to-noise ratio of the second reflector echo was found to be a main accuracy limitation. Concerning the investigation of liquids the unstable properties of the reference material PMMA, due to hygroscopicity, were identified to be an additional, unpredictable source of uncertainty. While dimensional changes can be considered by adequate methodology, the impact of the time and temperature dependent water absorption on relevant reference properties like the buffer's sound velocity and density could not be considered and may explain part of the observed deviations. Copyright © 2014 Elsevier B.V. All rights reserved.

Magnetic and thermoelectric properties of the ternary pseudo-hollandite BaxCr5Se8 (0.5 < x < 0.55) solid solution.

PubMed

Lefèvre, Robin; Berthebaud, David; Bux, Sabah; Hébert, Sylvie; Gascoin, Franck

2016-07-26

The structure of Ba0.5Cr5Se8 has been recently resolved, and its thermoelectric and magnetic properties have been studied. A ZT of 0.12 was found at around 800 K. Here, we report a study on the pseudo-hollandite BaxCr5Se8 solid-solution with 0.5 ≤ x ≤ 0.55 and its thermoelectric and magnetic properties. There is no significant impact either on the cell parameters depending on the cation content or on the magnetic properties. However, thermoelectric properties are radically changed depending on x content. While the low thermal conductivity, around 0.8 W m(-1) K(-1), remains similar for all samples, a respective increase and decrease of the resistivity and the Seebeck coefficient are observed with increasing Ba content. The maximum Seebeck coefficient is found with Ba0.5Cr5Se8 at around 635 K with 315 μV K(-1), and the Seebeck coefficient then decreases and is correlated with an activation of minority charge carriers confirmed by Hall measurements. A similar but steeper behavior is observed for the Ba0.55Cr5Se8 temperature dependence plot at around 573 K. Finally, the best thermoelectric performances are found using the lowest content of Ba, unlike when x tends to 0.55, ZT approaches a tenth of the initial best value. BaxCr5Se8 compounds are antiferromagnetic with TN = 58 K. A large peak in thermal conductivity is observed around the antiferromagnetic transition for all stoichiometry.

Two-Oxide Disequilibrium: A New Geospeedometer Based on Diffusion in Ilmenite

NASA Astrophysics Data System (ADS)

Williams, K. B.; Krawczynski, M. J.; Van Orman, J. A.

2016-12-01

Diffusion-annealing experiments were conducted in a 0.5" piston cylinder apparatus to investigate diffusivity of Fe2+, Mg2+, and Mn2+ in ilmenite solid solutions between 800ºC and 1000ºC. Polycrystalline ilmenite (FeTiO3) was juxtaposed against either an oriented geikielite (MgTiO3) single crystal or polycrystalline Mn-bearing (5 mol% Mn) ilmenite, in a "diffusion-couple" geometry. Geikielite single crystals were synthesized at Los Alamos National Laboratory, cut into 1 mm edge-length cubes, and polished either perpendicular or parallel to the c-axis. Polycrystalline ilmenite starting materials were synthesized by mixing high purity reagent-grade oxides (FeO, MnO, and TiO2) and sintering in a piston cylinder apparatus, then cut into wafers and polished. Experimental run products were analyzed by electron microprobe at Washington University in St. Louis. Microprobe analyses were obtained perpendicularly across the diffusion interface for each experiment. Experimental diffusion profiles create smooth curves that, when fit with an error function, define Fe-Mg and Fe-Mn interdiffusion coefficients in ilmenite. The diffusion coefficients do not appear compositionally dependent, but do show significant anisotropy. Preliminary results suggest diffusion activation energies are lower in ilmenite than in titanomagnetite [1]. Ilmenite-titanomagnetite equilibria define pre-eruptive temperatures and oxygen fugacities. However, oxides often exist out of equilibrium [2]. We use the cation diffusion data for ilmenite and existing data on titanomagnetite to establish two-oxide disequilibrium as a geospeedometer. Our data constrain oxide-oxide re-equilibration timescales at Mt. Unzen to months, consistent with estimates from zoned, single crystals of magnetite [3,4]. Future experiments will examine the effect of oxygen fugacity on diffusivity in ilmenite solid solutions. References:[1] Van Orman & Crispin (2010) RiMG 72, 757-825.[2] Bacon & Hirschmann (1988) Am. Min. 73, 57-61.[3] Nakamura (1995) Geology 23, 807-810.[4] Venezky & Rutherford (1999) J. Volc. Geo. Res. 89, 213-230.

A Comparative Biocompatibility Analysis of Ternary Nitinol Alloys

PubMed Central

Haider, Waseem; Munroe, Norman; Pulletikurthi, Chandan; Singh Gill, Puneet K.; Amruthaluri, Sushma

2009-01-01

Nitinol alloys are rapidly being utilized as the material of choice in a variety of applications in the medical industry. It has been used for self-expanding stents, graft support systems, and various other devices for minimally invasive interventional and endoscopic procedures. However, the biocompatibility of this alloy remains a concern to many practitioners in the industry due to nickel sensitivity experienced by many patients. In recent times, several new Nitinol alloys have been introduced with the addition of a ternary element. Nevertheless, there is still a dearth of information concerning the biocompatibility and corrosion resistance of these alloys. This study compared the biocompatibility of two ternary Nitinol alloys prepared by powder metallurgy (PM) and arc melting (AM) and critically assessed the influence of the ternary element. ASTM F 2129-08 cyclic polarization in vitro corrosion tests were conducted to evaluate the corrosion resistance in phosphate buffered saline (PBS). The growth of endothelial cells on NiTi was examined using optical microscopy. PMID:19956791

A Comparative Biocompatibility Analysis of Ternary Nitinol Alloys

NASA Astrophysics Data System (ADS)

Haider, Waseem; Munroe, Norman; Pulletikurthi, Chandan; Gill, Puneet K. Singh; Amruthaluri, Sushma

2009-08-01

Nitinol alloys are rapidly being utilized as the material of choice in a variety of applications in the medical industry. It has been used for self-expanding stents, graft support systems, and various other devices for minimally invasive interventional and endoscopic procedures. However, the biocompatibility of this alloy remains a concern to many practitioners in the industry due to nickel sensitivity experienced by many patients. In recent times, several new Nitinol alloys have been introduced with the addition of a ternary element. Nevertheless, there is still a dearth of information concerning the biocompatibility and corrosion resistance of these alloys. This study compared the biocompatibility of two ternary Nitinol alloys prepared by powder metallurgy (PM) and arc melting (AM) and critically assessed the influence of the ternary element. ASTM F 2129-08 cyclic polarization in vitro corrosion tests were conducted to evaluate the corrosion resistance in phosphate buffered saline (PBS). The growth of endothelial cells on NiTi was examined using optical microscopy.

A Comparative Biocompatibility Analysis of Ternary Nitinol Alloys.

PubMed

Haider, Waseem; Munroe, Norman; Pulletikurthi, Chandan; Singh Gill, Puneet K; Amruthaluri, Sushma

2009-08-01

Nitinol alloys are rapidly being utilized as the material of choice in a variety of applications in the medical industry. It has been used for self-expanding stents, graft support systems, and various other devices for minimally invasive interventional and endoscopic procedures. However, the biocompatibility of this alloy remains a concern to many practitioners in the industry due to nickel sensitivity experienced by many patients. In recent times, several new Nitinol alloys have been introduced with the addition of a ternary element. Nevertheless, there is still a dearth of information concerning the biocompatibility and corrosion resistance of these alloys. This study compared the biocompatibility of two ternary Nitinol alloys prepared by powder metallurgy (PM) and arc melting (AM) and critically assessed the influence of the ternary element. ASTM F 2129-08 cyclic polarization in vitro corrosion tests were conducted to evaluate the corrosion resistance in phosphate buffered saline (PBS). The growth of endothelial cells on NiTi was examined using optical microscopy.

Ternary and coupled binary zinc tin oxide nanopowders: Synthesis, characterization, and potential application in photocatalytic processes

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

Ivetić, T.B., E-mail: tamara.ivetic@df.uns.ac.rs; Finčur, N.L.; Đačanin, Lj. R.

2015-02-15

Highlights: • Mechanochemically synthesized nanocrystalline zinc tin oxide (ZTO) powders. • Photocatalytic degradation of alprazolam in the presence of ZTO water suspensions. • Coupled binary ZTO exhibits enhanced photocatalytic activity compared to ternary ZTO. - Abstract: In this paper, ternary and coupled binary zinc tin oxide nanocrystalline powders were prepared via simple solid-state mechanochemical method. X-ray diffraction, scanning electron microscopy, Raman and reflectance spectroscopy were used to study the structure and optical properties of the obtained powder samples. The thermal behavior of zinc tin oxide system was examined through simultaneous thermogravimetric-differential scanning calorimetric analysis. The efficiencies of ternary (Zn{sub 2}SnO{submore » 4} and ZnSnO{sub 3}) and coupled binary (ZnO/SnO{sub 2}) zinc tin oxide water suspensions in the photocatalytic degradation of alprazolam, short-acting anxiolytic of the benzodiazepine class of psychoactive drugs, under UV irradiation were determined and compared with the efficiency of pure ZnO and SnO{sub 2}.« less

Photocatalytic activity of attapulgite-TiO2-Ag3PO4 ternary nanocomposite for degradation of Rhodamine B under simulated solar irradiation

NASA Astrophysics Data System (ADS)

He, Hongcai; Jiang, Zhuolin; He, Zhaoling; Liu, Tao; Li, Enzhu; Li, Bao-Wen

2018-01-01

An excellent ternary composite photocatalyst consisting of silver orthophosphate (Ag3PO4), attapulgite (ATP), and TiO2 was synthesized, in which heterojunction was formed between dissimilar semiconductors to promote the separation of photo-generated charges. The ATP/TiO2/Ag3PO4 composite was characterized by SEM, XRD, and UV-vis diffuse reflectance spectroscopy. The co-deposition of Ag3PO4 and TiO2 nanoparticles onto the surface of ATP forms a lath-particle structure. Compared with composite photocatalysts consisting of two phases, ATP/TiO2/Ag3PO4 ternary composite exhibits greatly improved photocatalytic activity for degradation of rhodamine B under simulated solar irradiation. Such ternary composite not only improves the stability of Ag3PO4, but also lowers the cost by reducing application amount of Ag3PO4, which provides guidance for the design of Ag3PO4- and Ag-based composites for photocatalytic applications.

Ternary solution-processed organic solar cells incorporating 2D materials

NASA Astrophysics Data System (ADS)

Stylianakis, Minas M.; Konios, Dimitrios; Petridis, Constantinos; Kakavelakis, George; Stratakis, Emmanuel; Kymakis, Emmanuel

2017-12-01

Recently, the study of ternary organic solar cells (OSCs) has attracted the efforts of the scientific community, leading to significantly higher performance due to the enhanced harvesting of incoming irradiation. Here, for the first time, and in order to promote this OSC architecture, we review the progress implemented by the application of two-dimensional (2D) materials in the field of blend bulk heterojunction ternary OSCs. Power conversion efficiency (PCE) improvements of the order of 40% compared to the reference binary devices, and PCEs in excess of 8% have been reported by incorporating graphene-based or other 2D materials as a third element inside the active layer. These OSCs combine the synergetic advantages of ternary devices and the superb properties of the 2D material family. In conclusion, the incorporation of the unique properties of graphene and other 2D materials inside the active layer opens up a very promising pathway in the design and construction of high-performance, simply fabricated and low- cost photovoltaic devices.

Mean centering of double divisor ratio spectra, a novel spectrophotometric method for analysis of ternary mixtures

NASA Astrophysics Data System (ADS)

Hassan, Said A.; Elzanfaly, Eman S.; Salem, Maissa Y.; El-Zeany, Badr A.

2016-01-01

A novel spectrophotometric method was developed for determination of ternary mixtures without previous separation, showing significant advantages over conventional methods. The new method is based on mean centering of double divisor ratio spectra. The mathematical explanation of the procedure is illustrated. The method was evaluated by determination of model ternary mixture and by the determination of Amlodipine (AML), Aliskiren (ALI) and Hydrochlorothiazide (HCT) in laboratory prepared mixtures and in a commercial pharmaceutical preparation. For proper presentation of the advantages and applicability of the new method, a comparative study was established between the new mean centering of double divisor ratio spectra (MCDD) and two similar methods used for analysis of ternary mixtures, namely mean centering (MC) and double divisor of ratio spectra-derivative spectrophotometry (DDRS-DS). The method was also compared with a reported one for analysis of the pharmaceutical preparation. The method was validated according to the ICH guidelines and accuracy, precision, repeatability and robustness were found to be within the acceptable limits.

Multicomponent homogeneous alloys and method for making same

DOEpatents

Dutta, Partha S.; Miller, Thomas R.

2003-09-02

The present application discloses a method for preparing a homogeneous ternary or quaternary alloy from a quaternary melt. The method includes providing a family of phase diagrams for the quaternary melt which shows (i) composition/temperature data, (ii) tie lines connecting equilibrium liquid and solid compositions, and (iii) isotherms representing boundaries of a miscibility gap. Based on the family of phase diagrams, a quaternary melt composition and an alloy growth temperature is selected. A quaternary melt having the selected quaternary melt composition is provided and a ternary or quaternary alloy is grown from the quaternary melt at the selected alloy growth temperature. A method for making homogeneous ternary or quaternary alloy from a ternary or quaternary melt is also disclosed, as are homogeneous quaternary single-crystal alloys which are substantially free from crystal defects and which have the formula A.sub.x B.sub.1-x C.sub.y D.sub.1-y, x and y being the same or different and in the range of 0.001 to 0.999.

Large field-induced-strain at high temperature in ternary ferroelectric crystals

PubMed Central

Wang, Yaojin; Chen, Lijun; Yuan, Guoliang; Luo, Haosu; Li, Jiefang; Viehland, D.

2016-01-01

The new generation of ternary Pb(In1/2Nb1/2)O3-Pb(Mg1/3Nb2/3)O3-PbTiO3 ferroelectric single crystals have potential applications in high power devices due to their surperior operational stability relative to the binary system. In this work, a reversible, large electric field induced strain of over 0.9% at room temperature, and in particular over 0.6% above 380 K was obtained. The polarization rotation path and the phase transition sequence of different compositions in these ternary systems have been determined with increasing electric field applied along [001] direction based on x-ray diffraction data. Thereafter, composition dependence of field-temperature phase diagrams were constructed, which provide compositional and thermal prospectus for the electromechanical properties. It was found the structural origin of the large stain, especially at higher temperature is the lattice parameters modulated by dual independent variables in composition of these ternary solid solution crystals. PMID:27734908

Ternary cyclodextrin polyurethanes containing phosphate groups: Synthesis and complexation of ciprofloxacin.

PubMed

Moreira, Mirna Pereira; Andrade, George Ricardo Santana; de Araujo, Marcia Valeria Gaspar; Kubota, Tatiana; Gimenez, Iara F

2016-10-20

Synthesis of ternary polyurethanes (PUs) from hexamethylenediisocyanate, β-cyclodextrin and β-glycerophosphate (acid and calcium salt) was studies varying synthesis parameters such as monomer proportion, heating method (reflux and microwave), and catalyst amount. Favorable conditions were provided by microwave irradiation and use of β-glycerophosphoric acid although the results suggest that it is possible to obtain ternary PUs with the calcium salt. FTIR data indicated the existence of secondary urea linkages. After characterization of ternary PUs by FTIR spectroscopy, XRD and thermal analysis, as well as evidences that the cyclodextrin cavities remained active toward inclusion of guest molecules, the possibility of inclusion of the antibiotic ciprofloxacin was evaluated. Absence of ciprofloxacin melting peak in DSC curves indicated that it is molecularly dispersed within the polymer, possibly included in the cyclodextrin. In vitro release experiments suggested additional non-inclusion interactions, showing also that the use of dialysis membranes may mask the actual release profile. Copyright © 2016. Published by Elsevier Ltd.

The synthesis of ternary acetylides with tellurium: Li 2 TeC 2 and Na 2 TeC 2

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

Németh, Károly; Unni, Aditya K.; Kalnmals, Christopher

The synthesis of ternary acetylides Li 2TeC 2 and Na 2TeC 2 is presented as the first example of ternary acetylides with metalloid elements instead of transition metals. The synthesis was carried out by the direct reaction of the corresponding bialkali acetylides with tellurium powder in liquid ammonia. Alternatively, the synthesis of Na 2TeC 2 was also carried out by the direct reaction of tellurium powder and two equivalents of NaC 2H in liquid ammonia leading to Na 2TeC 2 and acetylene gas through an equilibrium containing the assumed NaTeC 2H molecules besides the reactants and the products. The resultingmore » disordered crystalline materials were characterized by X-ray diffraction and Raman spectroscopy. Implications of these new syntheses on the synthesis of other ternary acetylides with metalloid elements and transition metals are also discussed.« less

Physicochemical characterization of chitosan/nylon6/polyurethane foam chemically cross-linked ternary blends.

PubMed

Jayakumar, S; Sudha, P N

2013-03-15

Chitosan/nylon6/polyurethane foam (CS/Ny6/PUF) ternary blend was prepared and chemically cross-linked with glutaraldehyde. Structural, thermal and morphological studies were performed for the prepared ternary blends. Characterizations of the ternary blends were investigated by Fourier transform infrared spectroscopy (FTIR), thermo gravimetric analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) and scanning electron microscope (SEM). The FTIR results showed that the strong intermolecular hydrogen bonds took place between CS, Ny6 and PUF. TGA and DSC studies reveal that the thermal stability of the blend is enhanced by glutaraldehyde as crosslinking agent. Results of XRD indicated that the relative crystalline of pure CS film was reduced when the polymeric network was reticulated by glutaraldehyde. Finally, the results of scanning electron microscopy (SEM) indicated that the morphology of the blend is rough and heterogeneous, further it confirms the interaction between the functional groups of the blend components. Copyright © 2012 Elsevier B.V. All rights reserved.

Reactive Brazing of Carbon-Carbon Composites to Titanium

NASA Technical Reports Server (NTRS)

Shpargel, Tarah; Singh, M.; Morscher, Gregory; Asthana, Rajiv

2004-01-01

The Ti-metal/C-C composite joints were formed by reactive brazing with three commercial brazes, namely, Cu-ABA, TiCuNi, and TiCuSil. The joint microstructures were examined using optical microscopy, and scanning electron microscopy (SEM) coupled with energy dispersive spectrometry (EDS). The results of the microstructure analysis indicate solute redistribution across the joint and possible metallurgical bond formation via interdiffusion, which led to good wetting and spreading.

Viscosity and viscoelasticity of two-phase systems having diffuse interfaces

NASA Technical Reports Server (NTRS)

Hopper, R. W.

1976-01-01

The equilibrium stability criterion for diffuse interfaces in a two-component solution with a miscibility gap requires that the interdiffusion flux vanish. If the system is continuously deformed, convective fluxes disrupt the equilibrium in the interface regions and induce a counter diffusive flux, which is dissipative and contributes to the apparent viscosity of the mixture. Chemical free energy is recoverably stored, causing viscoelastic phenomena. Both effects are significant.

Void Formation during Diffusion - Two-Dimensional Approach

NASA Astrophysics Data System (ADS)

Wierzba, Bartek

2016-06-01

The final set of equations defining the interdiffusion process in solid state is presented. The model is supplemented by vacancy evolution equation. The competition between the Kirkendall shift, backstress effect and vacancy migration is considered. The proper diffusion flux based on the Nernst-Planck formula is proposed. As a result, the comparison of the experimental and calculated evolution of the void formation in the Fe-Pd diffusion couple is shown.

Active Metal Brazing of Carbon-Carbon Composites to Titanium

NASA Technical Reports Server (NTRS)

Singh, M.; Shpargel, T. P.; Morscher, G.; Asthana, R.

2004-01-01

The Ti-metal/C-C composite joints were formed by reactive brazing with three commercial brazes, namely, Cu-ABA, TiCuNi, and TiCuSil. The joint microstructures were examined using optical microscopy, and scanning electron microscopy (SEM) coupled with energy dispersive spectrometry (EDS). The results of the microstructure analysis indicate solute redistribution across the joint which led to good wetting, spreading, and metallurgical bond formation via interdiffusion.

Composite construction for nuclear fuel containers

DOEpatents

Cheng, Bo-Ching [Fremont, CA; Rosenbaum, Herman S [Fremont, CA; Armijo, Joseph S [Saratoga, CA

1987-01-01

An improved method for producing nuclear fuel containers of a composite construction having components providing therein a barrier system for resisting destructive action by volatile fission products or impurities and also interdiffusion of metal constituents, and the product thereof. The composite nuclear fuel containers of the method comprise a casing of zirconium or alloy thereof with a layer of copper overlying an oxidized surface portion of the zirconium or alloy thereof.

TEM and TED investigation of Ag/PbTe thin film bilayers.

NASA Astrophysics Data System (ADS)

Mandrino, Đorđe; Marinković, V.

Morphology and phase structure of Ag/PbTe thin film bilayers were investigated. This system was of particular interest because of interfacial reaction observed previously in an analogous Ag/SnTe system. Reaction products due to the interdiffusion of Ag with the substrate were determined as well as their orientations. They were discussed in view of the reaction products' structural relations to the PbTe.

The Influence of the Coating Deposition Process on the Interdiffusion Behavior Between Nickel-Based Superalloys and MCrAlY Bond Coats

NASA Astrophysics Data System (ADS)

Elsaß, M.; Frommherz, M.; Oechsner, M.

2018-02-01

In this work, interdiffusion between two nickel-based superalloys and two MCrAlY bond coats is investigated. The MCrAlY bond coats were applied using two different spraying processes, high velocity oxygen fuel spraying (HVOF) and low-pressure plasma spraying. Of primary interest is the evolution of Kirkendall porosity, which can form at the interface between substrate and bond coat and depends largely on the chemical compositions of the coating and substrate. Experimental evidence further suggested that the formation of Kirkendall porosity depends on the coating deposition process. Formation of porosity at the interface causes a degradation of the bonding strength between substrate and coating. After coating deposition, the samples were annealed at 1050 °C for up to 2000 h. Microstructural and compositional analyses were performed to determine and evaluate the Kirkendall porosity. The results reveal a strong influence of both the coating deposition process and the chemical compositions. The amount of Kirkendall porosity formed, as well as the location of appearance, is largely influenced by the coating deposition process. In general, samples with bond coats applied by means of HVOF show accelerated element diffusion. It is hypothesized that recrystallization of the substrate material is a main root cause for these observations.

Deterioration of reflecting coatings by intermetallic diffusion.

PubMed

Hunter, W R; Mikes, T L; Hass, G

1972-07-01

Gold diffraction gratings overcoated with Al + MgF(2) to increase their efficiency in the vacuum ultraviolet suffered a severe loss in efficiency within six months to a year after coating; for example, from 50% to 2% at lambda1216 A. The cause of this loss was assumed to be interdiffusion of Au and Al; therefore, a more complete study of Au-Al film combinations was performed. The coatings were aged at room and elevated temperatures. Reflectance measurements were made in the visible and vacuum ultraviolet spectral regions. For wavelengths longer than lambda900 A, the measurements show very little change until the diffusion boundary reaches the penetration depth of the radiation. If Al is the first surface layer, however, reflectance measurements at lambda584 A permit measuring the progress of the diffusion boundary toward the Al surface because of the low absorptance of Al at this wavelength. Interdiffusion can be effectively eliminated by the use of thin dielectric layers uch as SiO and the natural oxide of Al. Such protected coatings have been exposed for one week at a temperature of 170 degrees C with no visible sign of diffusion, whereas a similar coating without the barrier layer would become useless in less than 1 h. Some preliminary studies have been made with Pt-Al film combinations.

Effect of Gold on the Microstructural Evolution and Integrity of a Sintered Silver Joint

NASA Astrophysics Data System (ADS)

Muralidharan, Govindarajan; Leonard, Donovan N.; Meyer, Harry M.

2017-07-01

There is a need for next-generation, high-performance power electronic packages and systems employing wide-bandgap devices to operate at high temperatures in automotive and electric grid applications. Sintered silver joints are currently being evaluated as an alternative to Pb-free solder joints. Of particular interest is the development of joints based on silver paste consisting of nano- or micron-scale particles that can be processed without application of external pressure. The microstructural evolution at the interface of a pressureless-sintered silver joint formed between a SiC die with Ti/Ni/Au metallization and an active metal brazed (AMB) substrate with Ag metallization at 250°C has been evaluated using scanning electron microscopy (SEM), x-ray microanalysis, and x-ray photoelectron spectroscopy (XPS). Results from focused ion beam (FIB) cross-sections show that, during sintering, pores in the sintered region near to the Au layer tend to be narrow and elongated with long axis oriented parallel to the interface. Further densification results in formation of many small, relatively equiaxed pores aligned parallel to the interface, creating a path for easy crack propagation. X-ray microanalysis results confirm interdiffusion between Au and Ag and that a region with poor mechanical strength is formed at the edge of this region of interdiffusion.

Improvement of band gap profile in Cu(InGa)Se{sub 2} solar cells through rapid thermal annealing

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

Chen, D.S.; College of Mathematics and Physics, Shanghai University of Electric Power, Shanghai, 200090; Yang, J.

Highlights: • Proper RTA treatment can effectively optimize band gap profile to more expected level. • Inter-diffusion of atoms account for the improvement of the graded band gap profile. • The variation of the band gap profile created an absolute gain in the efficiency by 1.22%. - Abstract: In the paper, the effect of rapid thermal annealing on non-optimal double-graded band gap profiles was investigated by using X-ray photoelectron spectroscopy and capacitance–voltage measurement techniques. Experimental results revealed that proper rapid thermal annealing treatment can effectively improve band gap profile to more optimal level. The annealing treatment could not only reducemore » the values of front band gap and minimum band gap, but also shift the position of the minimum band gap toward front electrode and enter into space charge region. In addition, the thickness of Cu(InGa)Se{sub 2} thin film decreased by 25 nm after rapid thermal annealing treatment. All of these modifications were attributed to the inter-diffusion of atoms during thermal treatment process. Simultaneously, the variation of the band gap profile created an absolute gain in the efficiency by 1.22%, short-circuit current density by 2.16 mA/cm{sup 2} and filled factor by 3.57%.« less

High-performance electrodes for reduced temperature solid oxide fuel cells with doped lanthanum gallate electrolyte. II. La(Sr)CoO 3 cathode

NASA Astrophysics Data System (ADS)

Inagaki, Toru; Miura, Kazuhiro; Yoshida, Hiroyuki; Maric, Radenka; Ohara, Satoshi; Zhang, Xinge; Mukai, Kazuo; Fukui, Takehisa

The reduced temperature solid oxide fuel cell (SOFC) with 0.5 mm thick La 0.9Sr 0.1Ga 0.8Mg 0.2O 3- α (LSGM) electrolyte, La 0.6Sr 0.4CoO 3- δ (LSCo) cathode, and Ni-(CeO 2) 0.8(SmO 1.5) 0.2 (SDC) cermet anode showed an excellent initial performance, and high maximum power density, 0.47 W/cm 2, at 800°C. The results were comparable to those for the conventional SOFC with yttria-stabilized zirconia (YSZ) electrolyte, La(Sr)MnO 3-YSZ cathode and Ni-YSZ cermet anode at 1000°C. Using an LSCo powder prepared by spray pyrolysis, and selecting appropriate sintering temperatures, the lowest cathodic polarization of about 25 mV at 300 mA/cm 2 was measured for a cathode prepared by sintering at 1000°C. Life time cell test results, however, showed that the polarization of the LSCo cathode increased with operating time. From EPMA results, this behavior was considered to be related to the interdiffusion of the elements at the cathode/electrolyte interface. Calcination of LSCo powder could be a possible way to suppress this interdiffusion at the interface.