Properties of molecular solids and fluids at high pressures and temperatures. [Final report

International Nuclear Information System (INIS)

Etters, R.D.

1985-01-01

Equilibrium structures and orientations, lattice vibrational and librational model frequencies, intramolecular vibron mode frequencies, sound velocities, equations of state, compressibilities, and structural and orientational phase transitions in molecular solids are determined over a wide range of pressures and temperatures. In the high temperature fluid phase the equations of state, vibron frequencies, the melting transition, specific heats, compressibilities, second virial coefficients, viscosities and other transport properties, and the nature of orientational and magnetic correlations are determined. The techniques used include several strategies to optimize multi-dimensional functions as a means to determine equilibrium structures and orientations, self consistent phonon lattice dynamics methods, constant pressure and constant volume Monte-Carlo strategies with continuously deformable boundary conditions, mean field approximations, and classical perturbation methods. Systems studied include N 2 , O 2 , CO, CO 2 , F 2 , N 2 O, benzine, nitromethane, HCL, HBr, and H 2 . 50 refs., 4 figs

Trace species detection: Spectroscopy and molecular energy transfer at high temperature

Energy Technology Data Exchange (ETDEWEB)

Gray, J.A. [Sandia National Laboratories, Livermore, CA (United States)

1993-12-01

Monitoring the concentration of trace species such as atomic and molecular free radicals is essential in forming predictive models of combustion processes. LIF-based techniques have the necessary sensitivity for concentration and temperature measurements but have limited accuracy due to collisional quenching in combustion applications. The goal of this program is to use spectroscopic and kinetic measurements to quantify nonradiative and collisional effects on LIF signals and to develop new background-free alternatives to LIF. The authors have measured the natural linewidth of several OH A-X (3,0) rotational transitions to determine predissociation lifetimes in the upper state, which were presumed to be short compared to quenching lifetimes, and as a result, quantitative predictions about the applicability of predissociation fluorescence methods at high pressures are made. The authors are investigating collisional energy transfer in the A-state of NO. Quenching rates which enable direct corrections to NO LIF quantum yields at high temperature were calculations. These quenching rates are now being used in studies of turbulence/chemistry interactions. The authors have measured the electric dipole moment {mu} of excited-state NO using Stark quantum-beat spectroscopy. {mu} is an essential input to a harpoon model which predicts quenching efficiencies for NO (A) by a variety of combustion-related species. The authors are developing new coherent multiphoton techniques for measurements of atomic hydrogen concentration in laboratory flames to avoid the quenching problems associated with previous multiphoton LIF schemes.

Equation of state of dense plasmas: Orbital-free molecular dynamics as the limit of quantum molecular dynamics for high-Z elements

Energy Technology Data Exchange (ETDEWEB)

Danel, J.-F.; Blottiau, P.; Kazandjian, L.; Piron, R.; Torrent, M. [CEA, DAM, DIF, 91297 Arpajon (France)

2014-10-15

The applicability of quantum molecular dynamics to the calculation of the equation of state of a dense plasma is limited at high temperature by computational cost. Orbital-free molecular dynamics, based on a semiclassical approximation and possibly on a gradient correction, is a simulation method available at high temperature. For a high-Z element such as lutetium, we examine how orbital-free molecular dynamics applied to the equation of state of a dense plasma can be regarded as the limit of quantum molecular dynamics at high temperature. For the normal mass density and twice the normal mass density, we show that the pressures calculated with the quantum approach converge monotonically towards those calculated with the orbital-free approach; we observe a faster convergence when the orbital-free approach includes the gradient correction. We propose a method to obtain an equation of state reproducing quantum molecular dynamics results up to high temperatures where this approach cannot be directly implemented. With the results already obtained for low-Z plasmas, the present study opens the way for reproducing the quantum molecular dynamics pressure for all elements up to high temperatures.

Kinetics of low temperature polyester dyeing with high molecular weight disperse dyes by solvent microemulsion and agrosourced auxiliaries

OpenAIRE

Radei, Shahram; Carrión-Fité, Francisco Javier; Ardanuy Raso, Mònica; Canal Arias, José Ma

2018-01-01

This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

Molecular dynamics study of dislocation cores in copper: structure and diffusion at high temperatures

International Nuclear Information System (INIS)

Huang, Jin

1989-01-01

The variation of the core structure of an easy glide dislocation with temperature and its influence on the stacking fault energy (γ) have been investigated for the first time by molecular-dynamics simulation in copper. The calculations have been performed at various temperatures, using an ab-initio pseudo-potential. Our results show that the core of the Shockley partials, into which the perfect edge dislocation dissociates, becomes increasingly extended as temperature increases. However their separation remains constant. The calculated energy values of the infinite extension stacking fault and the ribbon fault between the partials are quite different, but the evolution of the core structure does not affect the temperature dependence of the latter. We have found that a high disorder appears in the core region when temperature increases due to important anharmonicity effects of the atomic vibrations. The core structure remains solid-like for T m (T m : melting point of bulk) in spite of the high disorder. Above T m , the liquid nucleus germinates in the core region, and then propagates into the bulk. In addition we studied the mobility of vacancies and interstitials trapped on the partials. Although fast diffusion is thought to occur exclusively in a pipe surrounding the dislocation core, in the present study a quasi two-dimensional diffusion is observed for both defects not only in the cores but also in the stacking fault ribbon. On the opposite of current assumptions, the activation energy for diffusion is found to be identical for both defects, which may therefore comparably contribute to mass transport along the dislocations. (author) [fr

Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

OpenAIRE

Shahram Radei; F. Javier Carrión-Fité; Mònica Ardanuy; José María Canal

2018-01-01

This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin) using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100...

Estimating thermodynamic properties by molecular dynamics simulations: The properties of fluids at high pressures and temperatures

International Nuclear Information System (INIS)

Fraser, D.G.; Refson, K.

1992-01-01

The molecular dynamics calculations reported above give calculated P-V-T properties for H 2 O up to 1500 K and 100 GPa, which agree remarkably well with the available experimental data. We also observe the phase transition to a crystalline, orientationally disordered cubic ice structure. No account was taken of molecular flexibility in these calculations nor of potential dissociation at high pressures as suggested by Hamman (1981). However, we note that the closest next-nearest-neighbour O-H approach remains significantly greater than the TIP4P fixed O-H bond length within the water molecule for all pressures studied. The equation of state proposed here should be useful for estimating the properties of H 2 O at up to 1500 K and 100 G Pa (1 Mbar) and is much easier to use in practice than modified Redlich Kwong equations. Extension of these methods to the studies of other fluids and of fluid mixtures at high temperatures and pressures will require good potential models for the species involved, and this is likely to involve a combination of good ab initio work and semiempirical modelling. Once developed, these models should allow robust predictions of thermodynamic properties beyond the range of the experimental data on the basis of fundamental molecular information

Measurement of incident molecular temperature in the formation of organic thin films

Science.gov (United States)

Abe, Takahiro; Matsubara, Ryosuke; Hayakawa, Munetaka; Shimoyama, Akifumi; Tanaka, Takaaki; Tsuji, Akira; Takahashi, Yoshikazu; Kubono, Atsushi

2018-03-01

To investigate the effects of incident molecular temperature on organic-thin-film growth by vacuum evaporation, quantitative analysis of molecular temperature is required. In this study, we propose a method of determining molecular temperature based on the heat exchange between a platinum filament and molecular vapor. Molecular temperature is estimated from filament temperature, which remains unchanged even under molecular vapor supply. The results indicate that our method has sufficient sensitivity to evaluate the molecular temperature under the typical growth rate used for fabrication of functional organic thin films.

PETIs as High-Temperature Resin-Transfer-Molding Materials

Science.gov (United States)

Connell, John N.; Smith, Joseph G., Jr.; Hergenrother, Paul M.

2005-01-01

Compositions of, and processes for fabricating, high-temperature composite materials from phenylethynyl-terminated imide (PETI) oligomers by resin-transfer molding (RTM) and resin infusion have been developed. Composites having a combination of excellent mechanical properties and long-term high-temperature stability have been readily fabricated. These materials are particularly useful for the fabrication of high-temperature structures for jet-engine components, structural components on highspeed aircraft, spacecraft, and missiles. Phenylethynyl-terminated amide acid oligomers that are precursors of PETI oligomers are easily made through the reaction of a mixture of aromatic diamines with aromatic dianhydrides at high stoichiometric offsets and 4-phenylethynylphthalic anhydride (PEPA) as an end-capper in a polar solvent such as N-methylpyrrolidinone (NMP). These oligomers are subsequently cyclodehydrated -- for example, by heating the solution in the presence of toluene to remove the water by azeotropic distillation to form low-molecular-weight imide oligomers. More precisely, what is obtained is a mixture of PETI oligomeric species, spanning a range of molecular weights, that exhibits a stable melt viscosity of less than approximately 60 poise (and generally less than 10 poise) at a temperature below 300 deg C. After curing of the oligomers at a temperature of 371 deg C, the resulting polymer can have a glass-transition temperature (Tg) as high as 375 C, the exact value depending on the compositions.

High-temperature operation of self-assembled GaInNAs/GaAsN quantum-dot lasers grown by solid-source molecular-beam epitaxy

International Nuclear Information System (INIS)

Liu, C.Y.; Yoon, S.F.; Sun, Z.Z.; Yew, K.C.

2006-01-01

Self-assembled GaInNAs/GaAsN single layer quantum-dot (QD) lasers grown using solid-source molecular-beam epitaxy have been fabricated and characterized. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm 2 from a GaInNAs QD laser (50x1700 μm 2 ) at 10 deg. C. High-temperature operation up to 65 deg. C was also demonstrated from an unbonded GaInNAs QD laser (50x1060 μm 2 ), with high characteristic temperature of 79.4 K in the temperature range of 10-60 deg. C

Comparison of post-tonsillectomy pain with two different types of bipolar forceps: low temperature quantum molecular resonance device versus high temperature conventional electrocautery.

Science.gov (United States)

Chang, Hyun; Hah, J Hun

2012-06-01

The low temperature device did not show any advantages over the conventional high temperature electrocautery in terms of the postoperative pain, operation time, and complications in pediatric tonsillectomy. To compare post-tonsillectomy pain following the use of two different instruments with the same bipolar forceps techniques: low temperature quantum molecular resonance (QMR) device versus conventional high temperature electrocautery. Pediatric patients admitted from July 2008 through January 2009 were included. The participants underwent bilateral tonsillectomy; one side by the QMR device and the other by the bipolar electrocautery. The sides for each instrument were counterbalanced by the order of presentation. The postoperative pain was measured using the faces pain rating scale. In all, 33 patients with a mean age of 7.6 years were enrolled. The postoperative pain, operation time, and complications in 33 sides dissected by the electrocautery and 33 sides by the QMR device were compared. The average operation times with each device were not statistically different. The mean ratings of the perception of pain related to each instrument were not different on operation day and postoperative day 1, day 4, and day 7 (p = 0.133, 0.057, 0.625, and 1.0, respectively). There was no postoperative complication in any of the patients.

Rotational temperature determinations in molecular gas lasers

International Nuclear Information System (INIS)

Weaver, L.A.; Taylor, L.H.; Denes, L.J.

1975-01-01

The small-signal gain expressions for vibrational-rotational transitions are examined in detail to determine possible methods of extracting the rotational temperature from experimental gain measurements in molecular gas lasers. Approximate values of T/subr/ can be deduced from the rotational quantum numbers for which the P- and R-branch gains are maximum. Quite accurate values of T/subr/ and the population inversion density (n/subv//sub prime/-n/subv//sub double-prime/) can be determined by fitting data to suitably linearized gain relationships, or by performing least-squares fits of the P- and R-branch experimental data to the full gain expressions. Experimental gain measurements for 15 P-branch and 12 R-branch transitions in the 10.4-μm CO 2 band have been performed for pulsed uv-preionized laser discharges in CO 2 : N 2 : He=1 : 2 : 3 mixtures at 600 Torr. These data are subjected to the several gain analyses described herein, yielding a rotational temperature of 401plus-or-minus10 degreeK and an inversion density of (3.77plus-or-minus0.07) times10 17 cm -3 for conditions of maximum gain. These techniques provide accurate values of the gas temperature in molecular gas lasers with excellent temporal and spatial resolution, and should be useful in extending the conversion efficiency and arcing limits of high-energy electrically exc []ted lasers

A Hall probe technique for characterizing high-temperature superconductors

International Nuclear Information System (INIS)

Zhang, J.; Sheldon, P.; Ahrenkiel, R.K.

1992-01-01

Thin-film GaAs Hall probes were fabricated by molecular beam epitaxy technology. A contactless technique was developed to characterize thin-film, high-temperature superconducting (HTSC) materials. The Hall probes detected the ac magnetic flux penetration through the high-temperature superconducting materials. The Hall detector has advantages over the mutual inductance magnetic flux detector

AB INITIO molecular orbital studies of some high temperature metal halide complexes

International Nuclear Information System (INIS)

Curtiss, L.A.

1978-01-01

The use of ab initio molecular orbital calculations to aid in the characterization, i.e., structures and energies, of metal halide complexes present in high temperature salt vapors has been investigated. Standard LCAO-SCF methods were used and calculations were carried out using the minimal STO-3G basis set. The complexes included in this study were Al 2 F 6 , Al 2 Cl 6 , AlF 3 NH 3 , AlCl 3 NH 3 , and AlF 3 N 2 . The Al 2 X 6 complexes are found to have D/sub 2h/ symmetry in agreement with most experimental results. A planar form was found to be considerably higher in energy. The AlX 3 NH 3 complexes are found to have C/sub 3v/ symmetry with a small barrier to rotation about the Al-N axis. The AlF 3 N 2 complex is found to be weakly bound together with a binding energy of -8.2 kcal/mole at the STO-3G level

Determination of the Temperature Dependence of Heat Capacity for Some Molecular Crystals of Nitro Compounds

Science.gov (United States)

Kovalev, Yu. M.; Kuropatenko, V. F.

2018-05-01

An analysis of the existing approximations used for describing the dependence of heat capacity at a constant volume on the temperature of a molecular crystal has been carried out. It is shown that the considered Debye and Einstein approximations do not enable one to adequately describe the dependence of heat capacity at a constant volume on the temperature of the molecular crystals of nitro compounds. This inference requires the development of special approximations that would describe both low-frequency and high-frequency parts of the vibrational spectra of molecular crystals. This work presents a universal dependence allowing one to describe the dependence of heat capacity at a constant volume on temperature for a number of molecular crystals of nitro compounds.

Molecular Orientation in Two Component Vapor-Deposited Glasses: Effect of Substrate Temperature and Molecular Shape

Science.gov (United States)

Powell, Charles; Jiang, Jing; Walters, Diane; Ediger, Mark

Vapor-deposited glasses are widely investigated for use in organic electronics including the emitting layers of OLED devices. These materials, while macroscopically homogenous, have anisotropic packing and molecular orientation. By controlling this orientation, outcoupling efficiency can be increased by aligning the transition dipole moment of the light-emitting molecules parallel to the substrate. Light-emitting molecules are typically dispersed in a host matrix, as such, it is imperative to understand molecular orientation in two-component systems. In this study we examine two-component vapor-deposited films and the orientations of the constituent molecules using spectroscopic ellipsometry, UV-vis and IR spectroscopy. The role of temperature, composition and molecular shape as it effects molecular orientation is examined for mixtures of DSA-Ph in Alq3 and in TPD. Deposition temperature relative to the glass transition temperature of the two-component mixture is the primary controlling factor for molecular orientation. In mixtures of DSA-Ph in Alq3, the linear DSA-Ph has a horizontal orientation at low temperatures and slight vertical orientation maximized at 0.96Tg,mixture, analogous to one-component films.

Precambrian Surface Temperatures and Molecular Phylogeny

Science.gov (United States)

Schwartzman, David; Lineweaver, Charles H.

2004-06-01

The timing of emergence of major organismal groups is consistent with the climatic temperature being equal to their upper temperature limit of growth (T_{max}), implying a temperature constraint on the evolution of each group, with the climatic temperature inferred from the oxygen isotope record of marine cherts. Support for this constraint comes from the correlation of T_{max} with the rRNA molecular phylogenetic distance from the last common ancestor (LCA) for both thermophilic Archaea and Bacteria. In particular, this correlation for hyperthermophilic Archaea suggests a climatic temperature of about 120°C at the time of the LCA, likely in the Hadean.

Temperature dependence of viscoelasticity of crystalline cellulose with different molecular weights added to silicone elastomer

Science.gov (United States)

Sugino, Naoto; Nakajima, Shinya; Kameda, Takao; Takei, Satoshi; Hanabata, Makoto

2017-08-01

Silicone elastomers ( polydimethylsiloxane _ PDMS) are widely used in the field of imprint lithography and microcontactprinting (μCP). When performing microcontactprinting, the mechanical properties of the PCMS as a base material have a great influence on the performance of the device. Cellulose nanofibers having features of high strength, high elasticity and low coefficient of linear expansion have attracted attention in recent years due to their characteristics. Therefore, three types of crystalline cellulose having different molecular weights were added to PDMS to prepare a composite material, and dynamic viscoelasticity was measured using a rheometer. The PDMS with the highest molecular weight crystalline cellulose added exhibited smaller storage modulus than PDMS with other molecular weight added in all temperature ranges. Furthermore, when comparing PDMS to which crystalline cellulose was added and PDMS which is not added, the storage modulus of PDMS to which cellulose was added in the low temperature region was higher than that of PDMS to which it was not added, but it was reversed in the high temperature region It was a result. When used in a low temperature range (less than 150 ° C.), it can be said that cellulose can function as a reinforcing material for PDMS.

Quantum Simulations of Low Temperature High Energy Density Matter

National Research Council Canada - National Science Library

Voth, Gregory

2004-01-01

.... Using classical molecular dynamics simulations to evaluate these equilibrium properties would predict qualitatively incorrect results for low temperature solid hydrogen, because of the highly quantum...

Molecular dynamics simulations of spinels: LiMn2O4 and Li4Mn5O12 at high temperatures

International Nuclear Information System (INIS)

Ledwaba, R S; Matshaba, M G; Ngoepe, P E

2015-01-01

Energy storage technologies are critical in addressing the global challenge of clean sustainable energy. Spinel lithium manganates have attracted attention due to their electrochemical properties and also as promising cathode materials for lithium-ion batteries. The current study focused on the effects of high temperatures on the materials, in order to understand the sustainability in cases where the battery heats up to high temperature and analysis of lithium diffusion aids in terms of intercalation host compatibility. It is also essential to understand the high temperature behaviour and lithium ion host capability of these materials in order to perform the armorphization and recrystalization of spinel nano-architectures. Molecular dynamics simulations carried out to predict high temperature behaviour of the spinel systems. The NVE ensemble was employed, in the range 300 - 3000K. The melting temperature, lithium-ion diffusion and structural behaviour were monitored in both supercell systems. LiMn 2 O 4 indicated a diffusion rate that increased rapidly above 1500K, just before melting (∼1700K) and reached its maximum diffusion at 2.756 × 10 -7 cm 2 s -1 before it decreased. Li 4 Mn 5 O 12 indicated an exponential increase above 700K reaching 8.303 × 10 −7 cm 2 s −1 at 2000K and allowing lithium intercalation even above its melting point of around 1300K. This indicated better structural stability of Li 4 Mn 5 O 12 and capability to host lithium ions at very high temperatures (up to 3000 K) compared to LiMn 2 O 4 . (paper)

Universality of the high-temperature viscosity limit of silicate liquids

DEFF Research Database (Denmark)

Zheng, Qiuju; Mauro, John C.; Ellison, Adam J.

2011-01-01

We investigate the high-temperature limit of liquid viscosity by analyzing measured viscosity curves for 946 silicate liquids and 31 other liquids including metallic, molecular, and ionic systems. Our results show no systematic dependence of the high-temperature viscosity limit on chemical...... composition for the studied liquids. Based on theMauro-Yue-Ellison-Gupta-Allan (MYEGA) model of liquid viscosity, the high-temperature viscosity limit of silicate liquids is 10−2.93 Pa·s. Having established this value, there are only two independent parameters governing the viscosity-temperature relation...

Thermodynamic functions and vapor pressures of uranium and plutonium oxides at high temperatures

International Nuclear Information System (INIS)

Green, D.W.; Reedy, G.T.; Leibowitz, L.

1977-01-01

The total energy release in a hypothetical reactor accident is sensitive to the total vapor pressure of the fuel. Thermodynamic functions which are accurate at high temperature can be calculated with the methods of statistical mechanics provided that needed spectroscopic data are available. This method of obtaining high-temperature vapor pressures should be greatly superior to the extrapolation of experimental vapor pressure measurements beyond the temperature range studied. Spectroscopic data needed for these calculations are obtained from infrared spectroscopy of matrix-isolated uranium and plutonium oxides. These data allow the assignments of the observed spectra to specific molecular species as well as the calculation of anharmonicities for monoxides, bond angles for dioxides, and molecular geometries for trioxides. These data are then employed, in combination with data on rotational and electronic molecular energy levels, to determine thermodynamic functions that are suitable for the calculation of high-temperature vapor pressures

The temperature of large dust grains in molecular clouds

Science.gov (United States)

Clark, F. O.; Laureijs, R. J.; Prusti, T.

1991-01-01

The temperature of the large dust grains is calculated from three molecular clouds ranging in visual extinction from 2.5 to 8 mag, by comparing maps of either extinction derived from star counts or gas column density derived from molecular observations to I(100). Both techniques show the dust temperature declining into clouds. The two techniques do not agree in absolute scale.

Inelastic X-ray scattering experiments at extreme conditions: high temperatures and high pressures

Directory of Open Access Journals (Sweden)

S.Hosokawa

2008-03-01

Full Text Available In this article, we review the present status of experimental techniques under extreme conditions of high temperature and high pressure used for inelastic X-ray scattering (IXS experiments of liquid metals, semiconductors, molten salts, molecular liquids, and supercritical water and methanol. For high temperature experiments, some types of single-crystal sapphire cells were designed depending on the temperature of interest and the sample thickness for the X-ray transmission. Single-crystal diamond X-ray windows attached to the externally heated high-pressure vessel were used for the IXS experiment of supercritical water and methanol. Some typical experimental results are also given, and the perspective of IXS technique under extreme conditions is discussed.

High molecular weight poly(L-lactide) and poly(ethylene oxide) blends : Thermal characterization and physical properties

NARCIS (Netherlands)

Nijenhuis, AJ; Colstee, E; Grijpma, DW; Pennings, AJ

1996-01-01

The miscibility of high molecular weight poly(L-lactide) (PLLA) with high molecular weight poly(ethylene oxide) (PEG) was studied by differential scanning calorimetry. Ail blends containing up to 50 weight% PEO showed single glass transition temperatures. The PLLA and PEO melting temperatures were

Changes in permittivity and density of molecular liquids under high pressure.

Science.gov (United States)

Kiselev, Vladimir D; Kornilov, Dmitry A; Konovalov, Alexander I

2014-04-03

We collected and analyzed the density and permittivity of 57 nonpolar and dipolar molecular liquids at different temperatures (143 sets) and pressures (555 sets). No equation was found that could accurately predict the change to polar liquid permittivity by the change of its density in the range of the pressures and temperatures tested. Consequently, the influence of high hydrostatic pressure and temperature on liquid permittivity may be a more complicated process compared to density changes. The pressure and temperature coefficients of permittivity can be drastically larger than the pressure and temperature coefficients of density, indicating that pressure and particularly temperature significantly affect the structure of molecular liquids. These changes have less influence on the density change but can strongly affect the permittivity change. The clear relationship between the tangent and secant moduli of the permittivity curvatures under pressure for various molecular liquids at different temperatures was obtained, from which one can calculate the Tait equation coefficients from the experimental values of the pressure influence on the permittivity at ambient pressure.

High-temperature morphology of stepped gold surfaces

International Nuclear Information System (INIS)

Bilalbegovic, G.; Tosatti, E.; Ercolessi, F.

1992-04-01

Molecular dynamics simulations with a classical many-body potential are used to study the high-temperature stability of stepped non-melting metal surfaces. We have studied in particular the Au(111) vicinal surfaces in the (M+1, M-1, M) family and the Au(100) vicinals in the (M, 1, 1) family. Some vicinal orientations close to the non-melting Au(111) surface become unstable close to the bulk melting temperature and facet into a mixture of crystalline (111) regions and localized surface-melted regions. On the contrary, we do not find high-temperature faceting for vicinals close to Au(100), also a non-melting surface. These (100) vicinal surfaces gradually disorder with disappearance of individual steps well below the bulk melting temperature. We have also studied the high-temperature stability of ledges formed by pairs of monoatomic steps of opposite sign on the Au(111) surface. It is found that these ledges attract each other, so that several of them merge into one larger ledge, whose edge steps then act as a nucleation site for surface melting. (author). 43 refs, 8 figs

NATO Advanced Study Institute on Low Temperature Molecular Spectroscopy

CERN Document Server

1996-01-01

Molecular spectroscopy has achieved rapid and significant progress in recent years, the low temperature techniques in particular having proved very useful for the study of reactive species, phase transitions, molecular clusters and crystals, superconductors and semiconductors, biochemical systems, astrophysical problems, etc. The widening range of applications has been accompanied by significant improvements in experimental methods, and low temperature molecular spectroscopy has been revealed as the best technique, in many cases, to establish the connection between experiment and theoretical calculations. This, in turn, has led to a rapidly increasing ability to predict molecular spectroscopic properties. The combination of an advanced tutorial standpoint with an emphasis on recent advances and new perspectives in both experimental and theoretical molecular spectroscopy contained in this book offers the reader insight into a wide range of techniques, particular emphasis being given to supersonic jet and matri...

Self-assembled GaInNAs/GaAsN quantum dot lasers: solid source molecular beam epitaxy growth and high-temperature operation

Directory of Open Access Journals (Sweden)

Yoon SF

2006-01-01

Full Text Available AbstractSelf-assembled GaInNAs quantum dots (QDs were grown on GaAs (001 substrate using solid-source molecular-beam epitaxy (SSMBE equipped with a radio-frequency nitrogen plasma source. The GaInNAs QD growth characteristics were extensively investigated using atomic-force microscopy (AFM, photoluminescence (PL, and transmission electron microscopy (TEM measurements. Self-assembled GaInNAs/GaAsN single layer QD lasers grown using SSMBE have been fabricated and characterized. The laser worked under continuous wave (CW operation at room temperature (RT with emission wavelength of 1175.86 nm. Temperature-dependent measurements have been carried out on the GaInNAs QD lasers. The lowest obtained threshold current density in this work is ∼1.05 kA/cm2from a GaInNAs QD laser (50 × 1,700 µm2 at 10 °C. High-temperature operation up to 65 °C was demonstrated from an unbonded GaInNAs QD laser (50 × 1,060 µm2, with high characteristic temperature of 79.4 K in the temperature range of 10–60 °C.

Temperature effects on quantum interference in molecular junctions

DEFF Research Database (Denmark)

Markussen, Troels; Thygesen, Kristian Sommer

2014-01-01

A number of experiments have demonstrated that destructive quantum interference (QI) effects in molecular junctions lead to very low conductances even at room temperature. On the other hand, another recent experiment showed increasing conductance with temperature which was attributed to decoheren...

Molecular-dynamic simulations of the thermophysical properties of hexanitrohexaazaisowurtzitane single crystal at high pressures and temperatures

Science.gov (United States)

Kozlova, S. A.; Gubin, S. A.; Maklashova, I. V.; Selezenev, A. A.

2017-11-01

Molecular dynamic simulations of isothermal compression parameters are performed for a hexanitrohexaazaisowurtzitane single crystal (C6H6O12N12) using a modified ReaxFF-log reactive force field. It is shown that the pressure-compression ratio curve for a single C6H6O12N12 crystal at constant temperature T = 300 K in pressure range P = 0.05-40 GPa is in satisfactory agreement with experimental compression isotherms obtained for a single C6H6O12N12 crystal. Hugoniot molecular-dynamic simulations of the shock-wave hydrostatic compression of a single C6H6O12N12 crystal are performed. Along with Hugoniot temperature-pressure curves, calculated shock-wave pressure-compression ratios for a single C6H6O12N12 crystal are obtained for a wide pressure range of P = 1-40 GPa. It is established that the percussive adiabat obtained for a single C6H6O12N12 crystal is in a good agreement with the experimental data. All calculations are performed using a LAMMPS molecular dynamics simulation software package that provides a ReaxFF-lg reactive force field to support the approach.

Temperature modulates the cell wall mechanical properties of rice coleoptiles by altering the molecular mass of hemicellulosic polysaccharides

Science.gov (United States)

Nakamura, Yukiko; Wakabayashi, Kazuyuki; Hoson, Takayuki

2003-01-01

The present study was conducted to investigate the mechanism inducing the difference in the cell wall extensibility of rice (Oryza sativa L. cv. Koshihikari) coleoptiles grown under various temperature (10-50 degrees C) conditions. The growth rate and the cell wall extensibility of rice coleoptiles exhibited the maximum value at 30-40 degrees C, and became smaller as the growth temperature rose or dropped from this temperature range. The amounts of cell wall polysaccharides per unit length of coleoptile increased in coleoptiles grown at 40 degrees C, but not at other temperature conditions. On the other hand, the molecular size of hemicellulosic polysaccharides was small at temperatures where the cell wall extensibility was high (30-40 degrees C). The autolytic activities of cell walls obtained from coleoptiles grown at 30 and 40 degrees C were substantially higher than those grown at 10, 20 and 50 degrees C. Furthermore, the activities of (1-->3),(1-->4)-beta-glucanases extracted from coleoptile cell walls showed a similar tendency. When oat (1-->3),(1-->4)-beta-glucans with high molecular mass were incubated with the cell wall enzyme preparations from coleoptiles grown at various temperature conditions, the extensive molecular mass downshifts were brought about only by the cell wall enzymes obtained from coleoptiles grown at 30-40 degrees C. There were close correlations between the cell wall extensibility and the molecular mass of hemicellulosic polysaccharides or the activity of beta -glucanases. These results suggest that the environmental temperature regulates the cell wall extensibility of rice coleoptiles by modifying mainly the molecular mass of hemicellulosic polysaccharides. Modulation of the activity of beta-glucanases under various temperature conditions may be involved in the alteration of the molecular size of hemicellulosic polysaccharides.

Synthesis and reforming of high molecular-weigth compounds by the utilization of radiation

International Nuclear Information System (INIS)

Machi, Sueo

1976-01-01

Radiation effects on the synthesis are reforming of high molecular-weight compounds are reviewed. The report is divided into four main parts. The first part deals with the characteristics of the radiation processing. The reaction can be started in a wide range of temperature including very low temperature. Catalysts are unnecessary. The reaction velocity is fast, and the reaction in solid phase can be started uniformly. And the quality of products is well controllable. The second part deals with the synthesis of high molecular-weight compounds by radiation polymerization. Radical polymerization and ionizing polymerization, gas phase and liquid phase polymerization, the polymerization and copolymerization of fluorine-containing monomers, and solid phase polymerization and low temperature polymerization are included in this part. Attention is directed to the continuous production system for the radiation polymerization of ethylene developed by Japan Atomic Energy Research Institute. The third part deals with the reforming of high molecular-weight compounds by radiation graft polymerization. The combination of backbone polymers and monomers for reforming plastics and fibers, the membranes for reverse osmosis, porous membranes, and ion exchange membranes are included. The fourth part deals with the reforming of high molecular-weight compounds by the cross-linking. Polyethylene, PVC, ethyl acrylate copolymer and the like are included. (Iwakiri, K.)

Molecular gas in dusty high-redshift galaxies

Science.gov (United States)

Sharon, Chelsea Electra

2013-12-01

We present high-resolution observations of carbon monoxide (CO) emission lines for three high-redshift galaxies in order to determine their molecular gas and star formation properties. These galaxies (SMM J14011+0252, SMM J00266+1708, and SDSS J0901+1814) have large infrared luminosities, which imply high dust enshrouded star formation rates and substantial molecular gas masses. We observed these sources using the Robert C. Byrd Green Bank Telescope, the Karl G. Jansky Very Large Array, the Plateau de Bure Interferometer, and the Submillimeter Array in order to obtain measurements of multiple CO spectral lines, allowing us to determine the physical conditions of the molecular gas. Our high resolution and multi-line CO mapping of SMM J00266+1708 reveals that it is a pair of merging galaxies, whose two components have different gas excitation conditions and different gas kinematics. For SMM J14011+0252 (J14011), we find a near-unity CO(3--2)/CO(1--0) intensity ratio, consistent with a single phase (i.e., a single temperature and density) of molecular gas and different from the average population value for dusty galaxies selected at submillimeter wavelengths. Our radiative transfer modeling (using the large velocity gradient approximation) indicates that converting the CO line luminosity to molecular gas mass requires a Galactic (disk-like) scale factor rather than the typical conversion factor assumed for starbursts. Despite this choice of conversion factor, J14011 falls in the same region of star formation rate surface density and gas mass surface density (the Schmidt-Kennicutt relation) as other starburst galaxies. SDSS J0901+1814 (J0901) was initially selected as a star-forming galaxy at ultraviolet wavelengths, but also has a large infrared luminosity. We use the magnification provided by the strong gravitational lensing affecting this system to examine the spatial variation of the CO excitation within J0901. We find that the CO(3--2)/CO(1--0) line ratio is

High temperature chemistry. Progress report, 1 November 1974--31 October 1975

International Nuclear Information System (INIS)

Gilles, P.W.

1975-01-01

Activities are described under the topics of education; publications and talks;research progress highlights; space and facilities; level of activity; and miscellaneous. Current research is reported for the high temperature thermodynamics and vaporization of the titanium oxides, the vaporization of the rare-earth borides, the phase studies on the Zr-Nb-O system, the studies on high-molecular weight inorganic species, and the kinetic studies on high-temperature vaporization processes

Melting curves of molecular hydrogen and molecular deuterium under high pressures between 20 and 373 K

International Nuclear Information System (INIS)

Diatschenko, V.; Chu, C.W.; Liebenberg, D.H.; Young, D.A.; Ross, M.; Mills, R.L.

1985-01-01

We determined the melting curve of molecular hydrogen and molecular deuterium at closely spaced intervals from 20 to 373 K by two different techniques using high-pressure diamond cells. The cells were loaded with liquid at low temperature or with compressed gas at room temperature. Empirical functions for the melting curves were evaluated from least-squares fits of the data. Values of the compressibility and Debye temperature were computed at melting, and the results are compared with those calculated from various theoretical models. The good agreement shows that the models are generally valid, although small systematic deviations may point the way toward refinements in modeling. Our study also demonstrates the need to determine a one-piece intermolecular potential valid over a wide pressure range by refitting all experimental data, including the shock data recently made available

Molecular Tagging Velocimetry Development for In-situ Measurement in High-Temperature Test Facility

Science.gov (United States)

Andre, Matthieu A.; Bardet, Philippe M.; Burns, Ross A.; Danehy, Paul M.

2015-01-01

The High Temperature Test Facility, HTTF, at Oregon State University (OSU) is an integral-effect test facility designed to model the behavior of a Very High Temperature Gas Reactor (VHTR) during a Depressurized Conduction Cooldown (DCC) event. It also has the ability to conduct limited investigations into the progression of a Pressurized Conduction Cooldown (PCC) event in addition to phenomena occurring during normal operations. Both of these phenomena will be studied with in-situ velocity field measurements. Experimental measurements of velocity are critical to provide proper boundary conditions to validate CFD codes, as well as developing correlations for system level codes, such as RELAP5 (http://www4vip.inl.gov/relap5/). Such data will be the first acquired in the HTTF and will introduce a diagnostic with numerous other applications to the field of nuclear thermal hydraulics. A laser-based optical diagnostic under development at The George Washington University (GWU) is presented; the technique is demonstrated with velocity data obtained in ambient temperature air, and adaptation to high-pressure, high-temperature flow is discussed.

High-Temperature unfolding of a trp-Cage mini-protein: a molecular dynamics simulation study

Directory of Open Access Journals (Sweden)

Seshasayee Aswin Sai Narain

2005-03-01

Full Text Available Abstract Background Trp cage is a recently-constructed fast-folding miniprotein. It consists of a short helix, a 3,10 helix and a C-terminal poly-proline that packs against a Trp in the alpha helix. It is known to fold within 4 ns. Results High-temperature unfolding molecular dynamics simulations of the Trp cage miniprotein have been carried out in explicit water using the OPLS-AA force-field incorporated in the program GROMACS. The radius of gyration (Rg and Root Mean Square Deviation (RMSD have been used as order parameters to follow the unfolding process. Distributions of Rg were used to identify ensembles. Conclusion Three ensembles could be identified. While the native-state ensemble shows an Rg distribution that is slightly skewed, the second ensemble, which is presumably the Transition State Ensemble (TSE, shows an excellent fit. The denatured ensemble shows large fluctuations, but a Gaussian curve could be fitted. This means that the unfolding process is two-state. Representative structures from each of these ensembles are presented here.

KINETIC TEMPERATURES OF THE DENSE GAS CLUMPS IN THE ORION KL MOLECULAR CORE

International Nuclear Information System (INIS)

Wang, K.-S.; Kuan, Y.-J.; Liu, S.-Y.; Charnley, Steven B.

2010-01-01

High angular-resolution images of the J = 18 K -17 K emission of CH 3 CN in the Orion KL molecular core were observed with the Submillimeter Array (SMA). Our high-resolution observations clearly reveal that CH 3 CN emission originates mainly from the Orion Hot Core and the Compact Ridge, both within ∼15'' of the warm and dense part of Orion KL. The clumpy nature of the molecular gas in Orion KL can also be readily seen from our high-resolution SMA images. In addition, a semi-open cavity-like kinematic structure is evident at the location between the Hot Core and the Compact Ridge. We performed excitation analysis with the 'population diagram' method toward the Hot Core, IRc7, and the northern part of the Compact Ridge. Our results disclose a non-uniform temperature structure on small scales in Orion KL, with a range of temperatures from 190-620 K in the Hot Core. Near the Compact Ridge, the temperatures are found to be 170-280 K. Comparable CH 3 CN fractional abundances of 10 -8 to 10 -7 are found around both in the Hot Core and the Compact Ridge. Such high abundances require that a hot gas phase chemistry, probably involving ammonia released from grain mantles, plays an important role in forming these CH 3 CN molecules.

Molecular beam mass spectrometer equipped with a catalytic wall reactor for in situ studies in high temperature catalysis research

International Nuclear Information System (INIS)

Horn, R.; Ihmann, K.; Ihmann, J.; Jentoft, F.C.; Geske, M.; Taha, A.; Pelzer, K.; Schloegl, R.

2006-01-01

A newly developed apparatus combining a molecular beam mass spectrometer and a catalytic wall reactor is described. The setup has been developed for in situ studies of high temperature catalytic reactions (>1000 deg. C), which involve besides surface reactions also gas phase reactions in their mechanism. The goal is to identify gas phase radicals by threshold ionization. A tubular reactor, made from the catalytic material, is positioned in a vacuum chamber. Expansion of the gas through a 100 μm sampling orifice in the reactor wall into differentially pumped nozzle, skimmer, and collimator chambers leads to the formation of a molecular beam. A quadrupole mass spectrometer with electron impact ion source designed for molecular beam inlet and threshold ionization measurements is used as the analyzer. The sampling time from nozzle to detector is estimated to be less than 10 ms. A detection time resolution of up to 20 ms can be reached. The temperature of the reactor is measured by pyrometry. Besides a detailed description of the setup components and the physical background of the method, this article presents measurements showing the performance of the apparatus. After deriving the shape and width of the energy spread of the ionizing electrons from measurements on N 2 and He we estimated the detection limit in threshold ionization measurements using binary mixtures of CO in N 2 to be in the range of several hundreds of ppm. Mass spectra and threshold ionization measurements recorded during catalytic partial oxidation of methane at 1250 deg. C on a Pt catalyst are presented. The detection of CH 3 · radicals is successfully demonstrated

Molecular beam mass spectrometer equipped with a catalytic wall reactor for in situ studies in high temperature catalysis research

Science.gov (United States)

Horn, R.; Ihmann, K.; Ihmann, J.; Jentoft, F. C.; Geske, M.; Taha, A.; Pelzer, K.; Schlögl, R.

2006-05-01

A newly developed apparatus combining a molecular beam mass spectrometer and a catalytic wall reactor is described. The setup has been developed for in situ studies of high temperature catalytic reactions (>1000°C), which involve besides surface reactions also gas phase reactions in their mechanism. The goal is to identify gas phase radicals by threshold ionization. A tubular reactor, made from the catalytic material, is positioned in a vacuum chamber. Expansion of the gas through a 100μm sampling orifice in the reactor wall into differentially pumped nozzle, skimmer, and collimator chambers leads to the formation of a molecular beam. A quadrupole mass spectrometer with electron impact ion source designed for molecular beam inlet and threshold ionization measurements is used as the analyzer. The sampling time from nozzle to detector is estimated to be less than 10ms. A detection time resolution of up to 20ms can be reached. The temperature of the reactor is measured by pyrometry. Besides a detailed description of the setup components and the physical background of the method, this article presents measurements showing the performance of the apparatus. After deriving the shape and width of the energy spread of the ionizing electrons from measurements on N2 and He we estimated the detection limit in threshold ionization measurements using binary mixtures of CO in N2 to be in the range of several hundreds of ppm. Mass spectra and threshold ionization measurements recorded during catalytic partial oxidation of methane at 1250°C on a Pt catalyst are presented. The detection of CH3• radicals is successfully demonstrated.

Molecular evolutionary rates are not correlated with temperature and latitude in Squamata: an exception to the metabolic theory of ecology?

Science.gov (United States)

Rolland, Jonathan; Loiseau, Oriane; Romiguier, Jonathan; Salamin, Nicolas

2016-05-20

The metabolic theory of ecology stipulates that molecular evolutionary rates should correlate with temperature and latitude in ectothermic organisms. Previous studies have shown that most groups of vertebrates, such as amphibians, turtles and even endothermic mammals, have higher molecular evolutionary rates in regions where temperature is high. However, the association between molecular evolutionary rates and temperature or latitude has never been tested in Squamata. We used a large dataset including the spatial distributions and environmental variables for 1,651 species of Squamata and compared the contrast of the rates of molecular evolution with the contrast of temperature and latitude between sister species. Using major axis regressions and a new algorithm to choose independent sister species pairs, we found that temperature and absolute latitude were not associated with molecular evolutionary rates. This absence of association in such a diverse ectothermic group questions the mechanisms explaining current pattern of species diversity in Squamata and challenges the presupposed universality of the metabolic theory of ecology.

Molecular weight distribution of electron and γ-ray irradiated PEEK measured by very high temperature GPC

International Nuclear Information System (INIS)

Nakahara, H.

1996-01-01

Poly(ether ether ketone)(PEEK) films were irradiated with electron beam in air and in helium. Gel fractions of the PEEK samples were determined as the ratio of the weight of insoluble fraction/total weigh by extracting the samples with 1-chloronaphthalene (1-CN) at 260degC. While unirradiated PEEK samples were dissolved in 1-CN completely, PEEK samples highly (10 - 50 MGy) irradiated in air were almost insoluble in the solvent. The weight-average molecular weight M w of soluble fractions of the samples were measured by very high temperature gel permeation chromatography (VHTGPC): it was found that the M w decreases with increasing dose. On the other hand, PEEK samples irradiated in helium gave gel fractions at lower doses (0 - 5 MGy) than in air. The PEEK films were also irradiated with 60 Co γ-rays in the dose range, i.e. from 0 to 5 MGy. The γ-irradiated PEEK samples were completely dissolved in 1-CN at 260degC. Their M w measured by VHTGPC decreases with increasing dose. (author)

High-Temperature Shape Memory Polymers

Science.gov (United States)

Yoonessi, Mitra; Weiss, Robert A.

2012-01-01

physical conformation changes when exposed to an external stimulus, such as a change in temperature. Such materials have a permanent shape, but can be reshaped above a critical temperature and fixed into a temporary shape when cooled under stress to below the critical temperature. When reheated above the critical temperature (Tc, also sometimes called the triggering or switching temperature), the materials revert to the permanent shape. The current innovation involves a chemically treated (sulfonated, carboxylated, phosphonated, or other polar function group), high-temperature, semicrystalline thermoplastic poly(ether ether ketone) (Tg .140 C, Tm = 340 C) mix containing organometallic complexes (Zn++, Li+, or other metal, ammonium, or phosphonium salts), or high-temperature ionic liquids (e.g. hexafluorosilicate salt with 1-propyl-3- methyl imidazolium, Tm = 210 C) to form a network where dipolar or ionic interactions between the polymer and the low-molecular-weight or inorganic compound forms a complex that provides a physical crosslink. Hereafter, these compounds will be referred to as "additives". The polymer is semicrystalline, and the high-melt-point crystals provide a temporary crosslink that acts as a permanent crosslink just so long as the melting temperature is not exceeded. In this example case, the melting point is .340 C, and the shape memory critical temperature is between 150 and 250 C. PEEK is an engineering thermoplastic with a high Young fs modulus, nominally 3.6 GPa. An important aspect of the invention is the control of the PEEK functionalization (in this example, the sulfonation degree), and the thermal properties (i.e. melting point) of the additive, which determines the switching temperature. Because the compound is thermoplastic, it can be formed into the "permanent" shape by conventional plastics processing operations. In addition, the compound may be covalently cross - linked after forming the permanent shape by S-PEEK by applying ionizing

High Temperature Phenomena in Shock Waves

CERN Document Server

2012-01-01

The high temperatures generated in gases by shock waves give rise to physical and chemical phenomena such as molecular vibrational excitation, dissociation, ionization, chemical reactions and inherently related radiation. In continuum regime, these processes start from the wave front, so that generally the gaseous media behind shock waves may be in a thermodynamic and chemical non-equilibrium state. This book presents the state of knowledge of these phenomena. Thus, the thermodynamic properties of high temperature gases, including the plasma state are described, as well as the kinetics of the various chemical phenomena cited above. Numerous results of measurement and computation of vibrational relaxation times, dissociation and reaction rate constants are given, and various ionization and radiative mechanisms and processes are presented. The coupling between these different phenomena is taken into account as well as their interaction with the flow-field. Particular points such as the case of rarefied flows an...

Combustion Chemistry of Fuels: Quantitative Speciation Data Obtained from an Atmospheric High-temperature Flow Reactor with Coupled Molecular-beam Mass Spectrometer.

Science.gov (United States)

Köhler, Markus; Oßwald, Patrick; Krueger, Dominik; Whitside, Ryan

2018-02-19

This manuscript describes a high-temperature flow reactor experiment coupled to the powerful molecular beam mass spectrometry (MBMS) technique. This flexible tool offers a detailed observation of chemical gas-phase kinetics in reacting flows under well-controlled conditions. The vast range of operating conditions available in a laminar flow reactor enables access to extraordinary combustion applications that are typically not achievable by flame experiments. These include rich conditions at high temperatures relevant for gasification processes, the peroxy chemistry governing the low temperature oxidation regime or investigations of complex technical fuels. The presented setup allows measurements of quantitative speciation data for reaction model validation of combustion, gasification and pyrolysis processes, while enabling a systematic general understanding of the reaction chemistry. Validation of kinetic reaction models is generally performed by investigating combustion processes of pure compounds. The flow reactor has been enhanced to be suitable for technical fuels (e.g. multi-component mixtures like Jet A-1) to allow for phenomenological analysis of occurring combustion intermediates like soot precursors or pollutants. The controlled and comparable boundary conditions provided by the experimental design allow for predictions of pollutant formation tendencies. Cold reactants are fed premixed into the reactor that are highly diluted (in around 99 vol% in Ar) in order to suppress self-sustaining combustion reactions. The laminar flowing reactant mixture passes through a known temperature field, while the gas composition is determined at the reactors exhaust as a function of the oven temperature. The flow reactor is operated at atmospheric pressures with temperatures up to 1,800 K. The measurements themselves are performed by decreasing the temperature monotonically at a rate of -200 K/h. With the sensitive MBMS technique, detailed speciation data is acquired and

Cool C-shocks and high-velocity flows in molecular clouds

International Nuclear Information System (INIS)

Smith, M.D.; Brand, P.W.J.L.

1990-01-01

C-shocks can be driven through dense clouds when the neutrals and magnetic field interact weakly due to a paucity of ions. We develop a method for calculating C-shock properties with the aim of interpreting the observed high-velocity molecular hydrogen. A high Mach number approximation, corresponding to low temperatures, is employed. Under strong cooling conditions the flow is continuous even though a subsonic region may be present downstream. Analytic expressions for the maximum temperature, dissociation fraction, self-ionization level and J-shock transition are derived. (author)

New diffusion mechanism for high temperature diffusion in solids

International Nuclear Information System (INIS)

Doan, N.V.; Adda, Y.

1986-09-01

A new atomic transport mechanism in solids at high temperatures has been discovered by Molecular Dynamics computer simulation. It can be described as a ring sequence of atomic replacements induced by unstable Frenkel pairs. This transport process takes place without stable defects, the atomic migration occurring indeed by simultaneous creation and migration of unstable defects. Starting from the analysis of this mechanism in different solids at high temperature (CaF 2 , Na, Ar) and in irradiated copper by subthreshold collisions, we discuss the role of this mechanism on various diffusion controlled phenomena and also on the atomic processes of defect creation

Computer code validation by high temperature chemistry

International Nuclear Information System (INIS)

Alexander, C.A.; Ogden, J.S.

1988-01-01

At least five of the computer codes utilized in analysis of severe fuel damage-type events are directly dependent upon or can be verified by high temperature chemistry. These codes are ORIGEN, CORSOR, CORCON, VICTORIA, and VANESA. With the exemption of CORCON and VANESA, it is necessary that verification experiments be performed on real irradiated fuel. For ORIGEN, the familiar knudsen effusion cell is the best choice and a small piece of known mass and known burn-up is selected and volatilized completely into the mass spectrometer. The mass spectrometer is used in the integral mode to integrate the entire signal from preselected radionuclides, and from this integrated signal the total mass of the respective nuclides can be determined. For CORSOR and VICTORIA, experiments with flowing high pressure hydrogen/steam must flow over the irradiated fuel and then enter the mass spectrometer. For these experiments, a high pressure-high temperature molecular beam inlet must be employed. Finally, in support of VANESA-CORCON, the very highest temperature and molten fuels must be contained and analyzed. Results from all types of experiments will be discussed and their applicability to present and future code development will also be covered

Gradual crossover in molecular organization of stable liquid H2O at moderately high pressure and temperature

DEFF Research Database (Denmark)

Koga, Yoshikata; Westh, Peter; Yoshida, Koh

2014-01-01

temperature. The extrapolated temperature to zero p seems to be about 70 – 80 °C for points X and 90 – 110 °C for Y. Furthermore, the mid-points of X and Y seem to extrapolate to the triple point of liquid, ice Ih and ice III. Recalling that the zero x Gly extrapolation of point X and Y for binary aqueous...... of the step named point X and its end point Y. In analogy with another third and fourth derivative pair in binary aqueous solutions of glycerol, dα p /dx Gly and d2 α p /dx Gly 2, at 0.1 MPa (α p is the thermal expansivity and x Gly the mole fraction of solute glycerol) in our recent publication [J. Solution...... Chem. 43, 663-674 (2014); DOI:10.1007/s10953-013-0122-7], we argue that there is a gradual crossover in the molecular organization of pure H2O from a low to a high p-regions starting at point X and ending at Y at a fixed T. The crossover takes place gradually spanning for about 100 MPa at a fixed...

Gas phase analysis of CO interactions with solid surfaces at high temperatures

International Nuclear Information System (INIS)

Anghel, Clara; Hoernlund, Erik; Hultquist, Gunnar; Limbaeck, Magnus

2004-01-01

An in situ method including mass spectrometry and labeled gases is presented and used to gain information on adsorption of molecules at high temperatures (>300 deg. C). Isotopic exchange rate in H 2 upon exposure to an oxidized zicaloy-2 sample and exchange rate in CO upon exposure to various materials have been measured. From these measurements, molecular dissociation rates in respective system have been calculated. The influence of CO and N 2 on the uptake rate of H 2 in zirconium and oxidized zicaloy-2 is discussed in terms of tendency for adsorption at high temperatures. In the case of oxidized Cr exposed to CO gas with 12 C, 13 C, 16 O and 18 O, the influence of H 2 O is investigated with respect to dissociation of CO molecules. The presented data supports a view of different tendencies for molecular adsorption of H 2 O, CO, N 2 , and H 2 molecules on surfaces at high temperatures

High-pressure and high-temperature physical properties of LiF studied by density functional theory calculations and molecular dynamics simulations

Science.gov (United States)

Sun, Xiao-Wei; Liu, Zi-Jiang; Quan, Wei-Long; Song, Ting; Khenata, Rabah; Bin-Omran, Saad

2018-05-01

Using the revised Perdew-Burke-Ernzerhof generalized gradient approximation based on first-principles plane-wave pseudopotential density functional theory, the high-pressure structural phase transition of LiF is explored. From the analysis of Gibbs free energies, we find that no phase transition occurs for LiF in the presented pressure range from 0 to 1000 GPa, and this result is consistent with the theoretical prediction obtained via ab initio calculations [N.A. Smirnov, Phys. Rev. B 83 (2011) 014109]. Using the classical molecular dynamics technique with effective pair potentials which consist of the Coulomb, dispersion, and repulsion interaction, the melting phase diagram of LiF is determined. The obtained normalized volumes under pressure are in good agreement with our density functional theory results and the available experimental data. Meanwhile, with the help of the quasi-harmonic Debye model in which the phononic effects are considered, the thermodynamic properties of interest, including the volume thermal expansion coefficient, isothermal bulk modulus and its first and second pressure derivatives, heat capacity at constant volume, entropy, Debye temperature, and Grüneisen parameter of LiF are predicted systematically. All the properties of LiF with the stable NaCl-type structure in the temperature range of 0-4900 K and the pressure up to 1000 GPa are summarized.

Predictive Finite Rate Model for Oxygen-Carbon Interactions at High Temperature

Science.gov (United States)

Poovathingal, Savio

An oxidation model for carbon surfaces is developed to predict ablation rates for carbon heat shields used in hypersonic vehicles. Unlike existing empirical models, the approach used here was to probe gas-surface interactions individually and then based on an understanding of the relevant fundamental processes, build a predictive model that would be accurate over a wide range of pressures and temperatures, and even microstructures. Initially, molecular dynamics was used to understand the oxidation processes on the surface. The molecular dynamics simulations were compared to molecular beam experiments and good qualitative agreement was observed. The simulations reproduced cylindrical pitting observed in the experiments where oxidation was rapid and primarily occurred around a defect. However, the studies were limited to small systems at low temperatures and could simulate time scales only of the order of nanoseconds. Molecular beam experiments at high surface temperature indicated that a majority of surface reaction products were produced through thermal mechanisms. Since the reactions were thermal, they occurred over long time scales which were computationally prohibitive for molecular dynamics to simulate. The experiments provided detailed dynamical data on the scattering of O, O2, CO, and CO2 and it was found that the data from molecular beam experiments could be used directly to build a model. The data was initially used to deduce surface reaction probabilities at 800 K. The reaction probabilities were then incorporated into the direct simulation Monte Carlo (DSMC) method. Simulations were performed where the microstructure was resolved and dissociated oxygen convected and diffused towards it. For a gas-surface temperature of 800 K, it was found that despite CO being the dominant surface reaction product, a gas-phase reaction forms significant CO2 within the microstructure region. It was also found that surface area did not play any role in concentration of

High-temperature Raman spectroscopy of solid oxide fuel cell materials and processes.

Science.gov (United States)

Pomfret, Michael B; Owrutsky, Jeffrey C; Walker, Robert A

2006-09-07

Chemical and material processes occurring in high temperature environments are difficult to quantify due to a lack of experimental methods that can probe directly the species present. In this letter, Raman spectroscopy is shown to be capable of identifying in-situ and noninvasively changes in material properties as well as the formation and disappearance of molecular species on surfaces at temperatures of 715 degrees C. The material, yttria-stabilized zirconia or YSZ, and the molecular species, Ni/NiO and nanocrystalline graphite, factor prominently in the chemistry of solid oxide fuel cells (SOFCs). Experiments demonstrate the ability of Raman spectroscopy to follow reversible oxidation/reduction kinetics of Ni/NiO as well as the rate of carbon disappearance when graphite, formed in-situ, is exposed to a weakly oxidizing atmosphere. In addition, the Raman active phonon mode of YSZ shows a temperature dependent shift that correlates closely with the expansion of the lattice parameter, thus providing a convenient internal diagnostic for identifying thermal gradients in high temperature systems. These findings provide direct insight into processes likely to occur in operational SOFCs and motivate the use of in-situ Raman spectroscopy to follow chemical processes in these high-temperature, electrochemically active environments.

Temperature specification in atomistic molecular dynamics and its impact on simulation efficacy

Science.gov (United States)

Ocaya, R. O.; Terblans, J. J.

2017-10-01

Temperature is a vital thermodynamical function for physical systems. Knowledge of system temperature permits assessment of system ergodicity, entropy, system state and stability. Rapid theoretical and computational developments in the fields of condensed matter physics, chemistry, material science, molecular biology, nanotechnology and others necessitate clarity in the temperature specification. Temperature-based materials simulations, both standalone and distributed computing, are projected to grow in prominence over diverse research fields. In this article we discuss the apparent variability of temperature modeling formalisms used currently in atomistic molecular dynamics simulations, with respect to system energetics,dynamics and structural evolution. Commercial simulation programs, which by nature are heuristic, do not openly discuss this fundamental question. We address temperature specification in the context of atomistic molecular dynamics. We define a thermostat at 400K relative to a heat bath at 300K firstly using a modified ab-initio Newtonian method, and secondly using a Monte-Carlo method. The thermostatic vacancy formation and cohesion energies, equilibrium lattice constant for FCC copper is then calculated. Finally we compare and contrast the results.

Heat transfer from a high temperature condensable mixture

International Nuclear Information System (INIS)

Chan, S.H.; Cho, D.H.; Condiff, D.W.

1978-01-01

A new development in heat transfer is reported. It is concerned with heat transfer from a gaseous mixture that contains a condensable vapor and is at very high temperature. In the past, heat transfer associated with either a condensable mixture at low temperature or a noncondensable mixture at high temperature has been investigated. The former reduces to the classical problem of fog formation in, say, atmosphere where the rate of condensation is diffusion controlled (molecular or conductive diffusions). In the presence of noncondensable gases, heat transfer to a cooler boundary by this mechanism is known to be drastically reduced. In the latter case, where the high temperature mixture is noncondensable, radiative transfer may become dominant and a vast amount of existing literature exists on this class of problem. A fundamentally different type of problem of relevance to recent advances in open cycle MHD power plants and breeder reactor safety is considered. In the advanced coal-fired power plant using MHD as a topping cycle, a condensable mixture is encountered at temperatures of 2000 to 3000 0 . Condensation of the vaporized slag and seed materials at such a high temperature can take place in the MHD generator channel as well as in the radiant boiler. Similarly, in breeder reactor accident analyses involving hypothetical core disruptive accidents, a UO 2 vapor mixture at 400 0 K or higher is often considered. Since the saturation temperature of UO 2 at one atmosphere is close to 4000 0 K, condensation is also likely at a very high temperature. Accordingly, an objective of the present work is to provide an understanding of heat transfer and condensation mechanics insystems containing a high temperature condensable mixture. The results of the study show that, when a high temperature mixture is in contact with a cooler surface, a thermal boundary layer develops rapidly because of intensive radiative cooling from the mixture

Thermal decomposition of polystyrene in the high temperature fabrication technology of hollow microspheres. Revision 1

International Nuclear Information System (INIS)

Dorogotovtsev, V.M.; Akunets, A.A.; Merkuliev, Y.A.; Turivnoy, A.P.

1997-01-01

The degree and nature of polymer degradation that occurs in the high temperature microshell formation process developed at the Lebedev Physical Institute has been examined experimentally. We find that significant mass degradation occurs during the final stages of shell formation. This manifests itself both in terms of mass loss and molecular weight degradation as measured by gel permeation chromatography. This decrease in the molecular weight may be in part responsible for the relatively fragile nature of the shells produced by this high temperature process. 9 refs., 6 figs., 2 tabs

Physiological and molecular mechanisms associated with cross tolerance between hypoxia and low temperature in Thaumatotibia leucotreta

DEFF Research Database (Denmark)

Boardman, Leigh; Sørensen, Jesper Givskov; Terblanche, John S

2015-01-01

identified to date. Using larvae of false codling moth Thaumatotibia leucotreta, a pest of southern Africa, we investigated the physiological and molecular responses to hypoxia or temperature stress pre-treatments, followed by a standard low temperature exposure. Survival rates were significantly influenced...... by pretreatment conditions, although T. leucotreta shows relatively high basal resistance to various stressors (4% variation in larval survival across all pre-treatments). Results showed that mild pre-treatments with chilling and hypoxia increased resistance to low temperatures and that these responses were...... correlated with increased membrane fluidity (increased UFA:SFA) and/or alterations in heat shock protein 70 (HSP70); while general mechanical stress (shaking) and heat (2 h at 35 C) do not elicit cross tolerance (no change in survival or molecular responses). We therefore found support for some limited cold...

High temperature interface superconductivity

International Nuclear Information System (INIS)

Gozar, A.; Bozovic, I.

2016-01-01

Highlight: • This review article covers the topic of high temperature interface superconductivity. • New materials and techniques used for achieving interface superconductivity are discussed. • We emphasize the role played by the differences in structure and electronic properties at the interface with respect to the bulk of the constituents. - Abstract: High-T_c superconductivity at interfaces has a history of more than a couple of decades. In this review we focus our attention on copper-oxide based heterostructures and multi-layers. We first discuss the technique, atomic layer-by-layer molecular beam epitaxy (ALL-MBE) engineering, that enabled High-T_c Interface Superconductivity (HT-IS), and the challenges associated with the realization of high quality interfaces. Then we turn our attention to the experiments which shed light on the structure and properties of interfacial layers, allowing comparison to those of single-phase films and bulk crystals. Both ‘passive’ hetero-structures as well as surface-induced effects by external gating are discussed. We conclude by comparing HT-IS in cuprates and in other classes of materials, especially Fe-based superconductors, and by examining the grand challenges currently laying ahead for the field.

Molecular Rayleigh Scattering Diagnostic for Dynamic Temperature, Velocity, and Density Measurements

Science.gov (United States)

Mielke, Amy R.; Elam, Kristie A.; Sung, Chi-Jen

2006-01-01

A molecular Rayleigh scattering technique is developed to measure dynamic gas temperature, velocity, and density in unseeded turbulent flows at sampling rates up to 16 kHz. A high power CW laser beam is focused at a point in an air jet plume and Rayleigh scattered light is collected and spectrally resolved. The spectrum of the light, which contains information about the temperature and velocity of the flow, is analyzed using a Fabry-Perot interferometer. The circular interference fringe pattern is divided into four concentric regions and sampled at 1 and 16 kHz using photon counting electronics. Monitoring the relative change in intensity within each region allows for measurement of gas temperature and velocity. Independently monitoring the total scattered light intensity provides a measure of gas density. A low speed heated jet is used to validate the measurement of temperature fluctuations and an acoustically excited nozzle flow is studied to validate velocity fluctuation measurements. Power spectral density calculations of the property fluctuations, as well as mean and fluctuating quantities are presented. Temperature fluctuation results are compared with constant current anemometry measurements and velocity fluctuation results are compared with constant temperature anemometry measurements at the same locations.

Equal channel angular extrusion of ultra-high molecular weight polyethylene

Energy Technology Data Exchange (ETDEWEB)

Reinitz, Steven D., E-mail: Steven.D.Reinitz.TH@Dartmouth.edu; Engler, Alexander J.; Carlson, Evan M.; Van Citters, Douglas W.

2016-10-01

Ultra-high molecular weight polyethylene (UHMWPE), a common bearing surface in total joint arthroplasty, is subject to material property tradeoffs associated with conventional processing techniques. For orthopaedic applications, radiation-induced cross-linking is used to enhance the wear resistance of the material, but cross-linking also restricts relative chain movement in the amorphous regions and hence decreases toughness. Equal Channel Angular Extrusion (ECAE) is proposed as a novel mechanism by which entanglements can be introduced to the polymer bulk during consolidation, with the aim of imparting the same tribological benefits of conventional processing without complete inhibition of chain motion. ECAE processing at temperatures near the crystalline melt for UHMWPE produces (1) increased entanglements compared to control materials; (2) increasing entanglements with increasing temperature; and (3) mechanical properties between values for untreated polyethylene and for cross-linked polyethylene. These results support additional research in ECAE-processed UHMWPE for joint arthroplasty applications. - Highlights: • A new processing method for ultra-high molecular weight polyethylene is introduced. • The process produces a highly entangled polyethylene material. • Entanglements are hypothesized to enhance the wear resistance of polyethylene. • This process eliminates the trade-off between mechanical and wear properties.

Growth mechanisms of plasma-assisted molecular beam epitaxy of green emission InGaN/GaN single quantum wells at high growth temperatures

International Nuclear Information System (INIS)

Yang, W. C.; Wu, C. H.; Tseng, Y. T.; Chiu, S. Y.; Cheng, K. Y.

2015-01-01

The results of the growth of thin (∼3 nm) InGaN/GaN single quantum wells (SQWs) with emission wavelengths in the green region by plasma-assisted molecular beam epitaxy are present. An improved two-step growth method using a high growth temperature up to 650 °C is developed to increase the In content of the InGaN SQW to 30% while maintaining a strong luminescence intensity near a wavelength of 506 nm. The indium composition in InGaN/GaN SQW grown under group-III-rich condition increases with increasing growth temperature following the growth model of liquid phase epitaxy. Further increase in the growth temperature to 670 °C does not improve the photoluminescence property of the material due to rapid loss of indium from the surface and, under certain growth conditions, the onset of phase separation

Ceramic membranes for high temperature hydrogen separation

Energy Technology Data Exchange (ETDEWEB)

Fain, D.E.; Roettger, G.E. [Oak Ridge K-25 Site, TN (United States)

1996-08-01

Ceramic gas separation membranes can provide very high separation factors if the pore size is sufficiently small to separate gas molecules by molecular sieving and if oversized pores are adequately limited. Ceramic membranes typically have some pores that are substantially larger than the mean pore size and that should be regarded as defects. To assess the effects of such defects on the performance of ceramic membranes, a simple mathematical model has been developed to describe flow through a gas separation membrane that has a primary mode of flow through very small pores but that has a secondary mode of flow through undesirably large pores. This model permits separation factors to be calculated for a specified gas pair as a function of the molecular weights and molecular diameters of the gases, the membrane pore diameter, and the diameter and number of defects. This model will be described, and key results from the model will be presented. The separation factors of the authors membranes continue to be determined using a permeance test system that measures flows of pure gases through a membrane at temperatures up to 275{degrees}C. A primary goal of this project for FY 1996 is to develop a mixed gas separation system for measuring the separation efficiency of membranes at higher temperatures. Performance criteria have been established for the planned mixed gas separation system and design of the system has been completed. The test system is designed to measure the separation efficiency of membranes at temperatures up to 600{degrees}C and pressures up to 100 psi by separating the constituents of a gas mixture containing hydrogen. The system will accommodate the authors typical experimental membrane that is tubular and has a diameter of about 9 mm and a length of about 23 cm. The design of the new test system and its expected performance will be discussed.

High electron mobility in Ga(In)NAs films grown by molecular beam epitaxy

International Nuclear Information System (INIS)

Miyashita, Naoya; Ahsan, Nazmul; Monirul Islam, Muhammad; Okada, Yoshitaka; Inagaki, Makoto; Yamaguchi, Masafumi

2012-01-01

We report the highest mobility values above 2000 cm 2 /Vs in Si doped GaNAs film grown by molecular beam epitaxy. To understand the feature of the origin which limits the electron mobility in GaNAs, temperature dependences of mobility were measured for high mobility GaNAs and referential low mobility GaInNAs. Temperature dependent mobility for high mobility GaNAs is similar to the GaAs case, while that for low mobility GaInNAs shows large decrease in lower temperature region. The electron mobility of high quality GaNAs can be explained by intrinsic limiting factor of random alloy scattering and extrinsic factor of ionized impurity scattering.

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

International Nuclear Information System (INIS)

Tu, Nguyen Thanh; Hai, Pham Nam; Anh, Le Duc; Tanaka, Masaaki

2016-01-01

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga_1_−_x,Fe_x)Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

High-Temperature Piezoelectric Sensing

Directory of Open Access Journals (Sweden)

Xiaoning Jiang

2013-12-01

Full Text Available Piezoelectric sensing is of increasing interest for high-temperature applications in aerospace, automotive, power plants and material processing due to its low cost, compact sensor size and simple signal conditioning, in comparison with other high-temperature sensing techniques. This paper presented an overview of high-temperature piezoelectric sensing techniques. Firstly, different types of high-temperature piezoelectric single crystals, electrode materials, and their pros and cons are discussed. Secondly, recent work on high-temperature piezoelectric sensors including accelerometer, surface acoustic wave sensor, ultrasound transducer, acoustic emission sensor, gas sensor, and pressure sensor for temperatures up to 1,250 °C were reviewed. Finally, discussions of existing challenges and future work for high-temperature piezoelectric sensing are presented.

High-latitude molecular clouds and infrared cirrus

International Nuclear Information System (INIS)

Vries, H.W. de.

1988-01-01

The high-latitude infrared cirrus detected by IRAS is identified with atomic and molecular clouds. These clouds are small (usually less than 1 sq. deg.) and show weak CO emission. On the basis of a distance of 100 pc they are characterized by a mass of a few solar masses and a radius of about 1 pc. Thermal radiation by dust as a results of heating by the diffuse interstellar radiation field is the most-plausible origin of the cirrus emission at far-infrared wavelengths. On the basis of plausible assumptions regarding the uniformity of both the gas-to-dust ratio and the heating and cooling of the dust, the flux density at 100 μm from regions with low visual extinction should be a good tracer of the gas column density. Indeed, the data show an approximately linear proportionality between N(HI), obtained from 21-cm observations, and I 100 (HI), the flux density from dust associated with HI. If the ratio of column density to flux density in high-latitude molecular clouds is equal to the corresponding relation in atomic ones, a value for the ratio of H 2 column density to CO velocity-integrated radiation temperature may be obtained. Although low-mass clouds may be large in number, the fraction of the Galactic molecular mass in the form of these clouds is probably no more than 1%

Conductivity, dielectric behavior and FTIR studies of high molecular weight poly(vinylchloride)-lithium triflate polymer electrolytes

International Nuclear Information System (INIS)

Ramesh, S.; Chai, M.F.

2007-01-01

Thin films of high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF 3 SO 3 ) salt were prepared by solution casting method. The ionic conductivity and dielectric measurements were carried out on these films over a wide frequency regime at various temperatures. The conductivity-temperature plots were found to obey classical Arrhenius relationship. The dielectric behavior was analysed using dielectric permittivity and dielectric modulus of the samples. FTIR studies show some simple overlapping and shift in peaks between high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF 3 SO 3 ) salt in the polymer electrolyte complexes

On the room-temperature phase diagram of high pressure hydrogen: An ab initio molecular dynamics perspective and a diffusion Monte Carlo study

International Nuclear Information System (INIS)

Chen, Ji; Ren, Xinguo; Li, Xin-Zheng; Alfè, Dario; Wang, Enge

2014-01-01

The finite-temperature phase diagram of hydrogen in the region of phase IV and its neighborhood was studied using the ab initio molecular dynamics (MD) and the ab initio path-integral molecular dynamics (PIMD). The electronic structures were analyzed using the density-functional theory (DFT), the random-phase approximation, and the diffusion Monte Carlo (DMC) methods. Taking the state-of-the-art DMC results as benchmark, comparisons of the energy differences between structures generated from the MD and PIMD simulations, with molecular and dissociated hydrogens, respectively, in the weak molecular layers of phase IV, indicate that standard functionals in DFT tend to underestimate the dissociation barrier of the weak molecular layers in this mixed phase. Because of this underestimation, inclusion of the quantum nuclear effects (QNEs) in PIMD using electronic structures generated with these functionals leads to artificially dissociated hydrogen layers in phase IV and an error compensation between the neglect of QNEs and the deficiencies of these functionals in standard ab initio MD simulations exists. This analysis partly rationalizes why earlier ab initio MD simulations complement so well the experimental observations. The temperature and pressure dependencies for the stability of phase IV were also studied in the end and compared with earlier results

High-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga,Fe)Sb

Energy Technology Data Exchange (ETDEWEB)

Tu, Nguyen Thanh [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physics, Ho Chi Minh City University of Pedagogy, 280, An Duong Vuong Street, District 5, Ho Chi Minh City 748242 (Viet Nam); Hai, Pham Nam [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Department of Physical Electronics, Tokyo Institute of Technology, 2-12-1 Ookayama, Meguro, Tokyo 152-0033 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan); Anh, Le Duc [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Tanaka, Masaaki [Department of Electrical Engineering and Information Systems, The University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Center for Spintronics Research Network (CSRN), The University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656 (Japan)

2016-05-09

We show high-temperature ferromagnetism in heavily Fe-doped ferromagnetic semiconductor (Ga{sub 1−x},Fe{sub x})Sb (x = 23% and 25%) thin films grown by low-temperature molecular beam epitaxy. Magnetic circular dichroism spectroscopy and anomalous Hall effect measurements indicate intrinsic ferromagnetism of these samples. The Curie temperature reaches 300 K and 340 K for x = 23% and 25%, respectively, which are the highest values reported so far in intrinsic III-V ferromagnetic semiconductors.

Kinetic temperature of massive star forming molecular clumps measured with formaldehyde

Science.gov (United States)

Tang, X. D.; Henkel, C.; Menten, K. M.; Zheng, X. W.; Esimbek, J.; Zhou, J. J.; Yeh, C. C.; König, C.; Yuan, Y.; He, Y. X.; Li, D. L.

2017-02-01

Context. For a general understanding of the physics involved in the star formation process, measurements of physical parameters such as temperature and density are indispensable. The chemical and physical properties of dense clumps of molecular clouds are strongly affected by the kinetic temperature. Therefore, this parameter is essential for a better understanding of the interstellar medium. Formaldehyde, a molecule which traces the entire dense molecular gas, appears to be the most reliable tracer to directly measure the gas kinetic temperature. Aims: We aim to determine the kinetic temperature with spectral lines from formaldehyde and to compare the results with those obtained from ammonia lines for a large number of massive clumps. Methods: Three 218 GHz transitions (JKAKC = 303-202, 322-221, and 321-220) of para-H2CO were observed with the 15 m James Clerk Maxwell Telescope (JCMT) toward 30 massive clumps of the Galactic disk at various stages of high-mass star formation. Using the RADEX non-LTE model, we derive the gas kinetic temperature modeling the measured para-H2CO 322-221/303-202 and 321-220/303-202 ratios. Results: The gas kinetic temperatures derived from the para-H2CO (321-220/303-202) line ratios range from 30 to 61 K with an average of 46 ± 9 K. A comparison of kinetic temperature derived from para-H2CO, NH3, and the dust emission indicates that in many cases para-H2CO traces a similar kinetic temperature to the NH3 (2, 2)/(1, 1) transitions and the dust associated with the HII regions. Distinctly higher temperatures are probed by para-H2CO in the clumps associated with outflows/shocks. Kinetic temperatures obtained from para-H2CO trace turbulence to a higher degree than NH3 (2, 2)/(1, 1) in the massive clumps. The non-thermal velocity dispersions of para-H2CO lines are positively correlated with the gas kinetic temperature. The massive clumps are significantly influenced by supersonic non-thermal motions. The reduced spectra (FITS files) are only

Highly efficient high temperature electrolysis

DEFF Research Database (Denmark)

Hauch, Anne; Ebbesen, Sune; Jensen, Søren Højgaard

2008-01-01

High temperature electrolysis of water and steam may provide an efficient, cost effective and environmentally friendly production of H-2 Using electricity produced from sustainable, non-fossil energy sources. To achieve cost competitive electrolysis cells that are both high performing i.e. minimum...... internal resistance of the cell, and long-term stable, it is critical to develop electrode materials that are optimal for steam electrolysis. In this article electrolysis cells for electrolysis of water or steam at temperatures above 200 degrees C for production of H-2 are reviewed. High temperature...... electrolysis is favourable from a thermodynamic point of view, because a part of the required energy can be supplied as thermal heat, and the activation barrier is lowered increasing the H-2 production rate. Only two types of cells operating at high temperature (above 200 degrees C) have been described...

Temperature dependent dynamics of DegP-trimer: A molecular dynamics study

Directory of Open Access Journals (Sweden)

Nivedita Rai

2015-01-01

Full Text Available DegP is a heat shock protein from high temperature requirement protease A family, which reacts to the environmental stress conditions in an ATP independent way. The objective of the present analysis emerged from the temperature dependent functional diversity of DegP between chaperonic and protease activities at temperatures below and above 28 °C, respectively. DegP is a multimeric protein and the minimal functional unit, DegP-trimer, is of great importance in understanding the DegP pathway. The structural aspects of DegP-trimer with respect to temperature variation have been studied using molecular dynamics simulations (for 100 ns and principal component analysis to highlight the temperature dependent dynamics facilitating its functional diversity. The DegP-trimer revealed a pronounced dynamics at both 280 and 320 K, when compared to the dynamics observed at 300 K. The LA loop is identified as the highly flexible region during dynamics and at extreme temperatures, the residues 46–80 of LA loop express a flip towards right (at 280 and left ( at 320 K with respect to the fixed β-sheet connecting the LA loop of protease for which Phe46 acts as one of the key residues. Such dynamics of LA loop facilitates inter-monomeric interaction with the PDZ1 domain of the neighbouring monomer and explains its active participation when DegP exists as trimer. Hence, the LA loop mediated dynamics of DegP-trimer is expected to provide further insight into the temperature dependent dynamics of DegP towards the understanding of its assembly and functional diversity in the presence of substrate.

Kinetics of Low Temperature Polyester Dyeing with High Molecular Weight Disperse Dyes by Solvent Microemulsion and AgroSourced Auxiliaries

Directory of Open Access Journals (Sweden)

Shahram Radei

2018-02-01

Full Text Available This work focused on the evaluation of the kinetics of dyeing polyester fabrics with high molecular weight disperse dyes, at low temperature by solvent microemulsion. This study also compared the effect of two non-toxic agro-sourced auxiliaries (o-vanillin and coumarin using a non-toxic organic solvent. A dyeing bath consisting of a micro-emulsion system involving a small proportion of n-butyl acetate was used, and the kinetics of dyeing were analysed at four temperatures (83, 90, 95 and 100 °C. Moreover, the dyeing rate constants, correlation coefficient and activation energies were proposed for this system. It was found that o-vanillin yielded higher dye absorption levels than coumarin, leading to exhaustions of 88% and 87% for Disperse Red 167 and Disperse Blue 79, respectively. K/S values of dyed polyester were also found to be higher for dye baths containing o-vanillin with respect to the ones with coumarin. In terms of hot pressing fastness and wash fastness, generally no adverse influence on fastness properties was reported, while o-vanillin showed slightly better results compared to coumarin.

Molecular dynamics simulation of ZnO wurtzite phase under high and low pressures and temperatures

Science.gov (United States)

Chergui, Y.; Aouaroun, T.; Hadley, M. J.; Belkada, R.; Chemam, R.; Mekki, D. E.

2017-11-01

Isothermal and isobaric ensembles behaviours of ZnO wurtzite phase have been investigated, by parallel molecular dynamics method and using Buckingham potential, which contains long-range Coulomb, repulsive exponential, and attractive dispersion terms. To conduct our calculations, we have used dl_poly 4 software, under which the method is implemented. We have examined the influence of the temperature and pressure on molar volume in the ranges of 300-3000 K and 0-200 GPa. Isothermal-isobaric relationships, fluctuations, standard error, equilibrium time, molar volume and its variation versus time are predicted and analyzed. Our results are close to available experimental data and theoretical results.

High temperature materials and mechanisms

CERN Document Server

2014-01-01

The use of high-temperature materials in current and future applications, including silicone materials for handling hot foods and metal alloys for developing high-speed aircraft and spacecraft systems, has generated a growing interest in high-temperature technologies. High Temperature Materials and Mechanisms explores a broad range of issues related to high-temperature materials and mechanisms that operate in harsh conditions. While some applications involve the use of materials at high temperatures, others require materials processed at high temperatures for use at room temperature. High-temperature materials must also be resistant to related causes of damage, such as oxidation and corrosion, which are accelerated with increased temperatures. This book examines high-temperature materials and mechanisms from many angles. It covers the topics of processes, materials characterization methods, and the nondestructive evaluation and health monitoring of high-temperature materials and structures. It describes the ...

High temperature refrigerator

International Nuclear Information System (INIS)

Steyert, W.A. Jr.

1978-01-01

A high temperature magnetic refrigerator is described which uses a Stirling-like cycle in which rotating magnetic working material is heated in zero field and adiabatically magnetized, cooled in high field, then adiabatically demagnetized. During this cycle the working material is in heat exchange with a pumped fluid which absorbs heat from a low temperature heat source and deposits heat in a high temperature reservoir. The magnetic refrigeration cycle operates at an efficiency 70% of Carnot

Temperature uniformity mapping in a high pressure high temperature reactor using a temperature sensitive indicator

NARCIS (Netherlands)

Grauwet, T.; Plancken, van der I.; Vervoort, L.; Matser, A.M.; Hendrickx, M.; Loey, van A.

2011-01-01

Recently, the first prototype ovomucoid-based pressure–temperature–time indicator (pTTI) for high pressure high temperature (HPHT) processing was described. However, for temperature uniformity mapping of high pressure (HP) vessels under HPHT sterilization conditions, this prototype needs to be

Nuclear magnetic resonance in solids: evolution of spin temperature under multipulse irradiation and high symmetry molecular motions

International Nuclear Information System (INIS)

Quiroga, Luis

1982-01-01

In a first part, autocorrelation functions are calculated taking into account the symmetry of molecular motions by group theoretical techniques. This very general calculation method is then used to evaluate the NMR spin-lattice relaxation times T 1 and T 1 p as a function of the relative orientations of the magnetic field, the crystal and the rotation axis, in particular for cyclic, dihedral and cubic groups. Models of molecular reorientations such as jumps between a finite number of allowed orientations, rotational diffusion and superimposed reorientations are all investigated with the same formalism. In part two, the effect of the coherent excitation of spins, by multipulse sequences of the WHH-4 type, on the evolution of the heat capacity and spin temperature of the dipolar reservoir is analysed. It is shown both theoretically and experimentally that adiabatic (reversible) reduction of the dipolar Hamiltonian and its spin temperature is obtained when the amplitude of pulses (rotation angle) is slowly raised. The sudden switching on and off of the HW-8 sequence is then shown to lead to the same reversible reduction in a shorter time. It is also shown that, by this way, sensibility and selectivity of double resonance measurements of weak gyromagnetic ratio nuclei are strongly increased. This is experimentally illustrated in some cases. (author) [fr

Conductivity, dielectric behavior and FTIR studies of high molecular weight poly(vinylchloride)-lithium triflate polymer electrolytes

Energy Technology Data Exchange (ETDEWEB)

Ramesh, S. [Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Setapak, 53300 Kuala Lumpur (Malaysia)]. E-mail: ramesh@mail.utar.edu.my; Chai, M.F. [Faculty of Engineering and Science, Universiti Tunku Abdul Rahman, Setapak, 53300 Kuala Lumpur (Malaysia)

2007-05-15

Thin films of high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF{sub 3}SO{sub 3}) salt were prepared by solution casting method. The ionic conductivity and dielectric measurements were carried out on these films over a wide frequency regime at various temperatures. The conductivity-temperature plots were found to obey classical Arrhenius relationship. The dielectric behavior was analysed using dielectric permittivity and dielectric modulus of the samples. FTIR studies show some simple overlapping and shift in peaks between high molecular weight polyvinyl chloride (PVC) with lithium triflate (LiCF{sub 3}SO{sub 3}) salt in the polymer electrolyte complexes.

Molecular weights distribution and temperature effects in the styrene polymerization initiated with gamma rays

International Nuclear Information System (INIS)

Burillo, G.; Martinez, R.

1979-01-01

The polymerization of styrene irradiated in a 60 CO source to 18 0 C temperature and to 70 0 C temperature was studied, in order to reduce the irradiation time raising the polymerization rate and looking for a highest molecular weight. The radiation doses used were from 0.2 to 33.26 Mrad, at the rate of 56 rad/sec, the percent of polymerization and the molecular weight formed were determined, the results indicate one highest molecular weight of 132,700 when the radiation dose of 20 Mrad and the temperature of 20 0 C were used, and one of 395,000 when the irradiation is carried out to 70 0 C. (author)

Solvated electrons at elevated temperatures in different alcohols: Temperature and molecular structure effects

Energy Technology Data Exchange (ETDEWEB)

Yan, Yu [Department of Nuclear Engineering and Management, Graduate School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Lin, Mingzhang [Nuclear Science and Engineering Directorate, Japan Atomic Energy Agency, 2-4 Shirakata-Shirane, Tokai, Naka, Ibaraki 319-1195 (Japan); Katsumura, Yosuke, E-mail: katsu@n.t.u-tokyo.ac.j [Department of Nuclear Engineering and Management, Graduate School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo, Tokyo 113-8656 (Japan); Nuclear Professional School, Graduate School of Engineering, University of Tokyo, 2-22 Shirakata-Shirane, Tokai, Naka, Ibaraki 319-1188 (Japan); Fu, Haiying; Muroya, Yusa [Nuclear Professional School, Graduate School of Engineering, University of Tokyo, 2-22 Shirakata-Shirane, Tokai, Naka, Ibaraki 319-1188 (Japan)

2010-12-15

The absorption spectra of solvated electrons in pentanol, hexanol and octanol are measured from 22 to 200, 22 to 175 and 50 to150 {sup o}C, respectively, at a fixed pressure of 15 MPa, using nanosecond pulse radiolysis technique. The results show that the peak positions of the absorption spectra have a red-shift (shift to longer wavelengths) as temperature increases, similar to water and other alcohols. Including the above mentioned data, a compilation of currently available experimental data on the energy of absorption maximum (E{sub max}) of solvated electrons changed with temperature in monohydric alcohols, diols and triol is presented. E{sub max} of solvated electron is larger in those alcohols that have more OH groups at all the temperatures. The molecular structure effect, including OH numbers, OH position and carbon chain length, is investigated. For the primary alcohols with same OH group number and position, the temperature coefficient increases with increase in chain length. For the alcohols with same chain length and OH numbers, temperature coefficient is larger for the symmetric alcohols than the asymmetric ones.

Estimating Arrhenius parameters using temperature programmed molecular dynamics

International Nuclear Information System (INIS)

Imandi, Venkataramana; Chatterjee, Abhijit

2016-01-01

Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

Estimating Arrhenius parameters using temperature programmed molecular dynamics

Energy Technology Data Exchange (ETDEWEB)

Imandi, Venkataramana; Chatterjee, Abhijit, E-mail: abhijit@che.iitb.ac.in [Department of Chemical Engineering, Indian Institute of Technology Bombay, Mumbai 400076 (India)

2016-07-21

Kinetic rates at different temperatures and the associated Arrhenius parameters, whenever Arrhenius law is obeyed, are efficiently estimated by applying maximum likelihood analysis to waiting times collected using the temperature programmed molecular dynamics method. When transitions involving many activated pathways are available in the dataset, their rates may be calculated using the same collection of waiting times. Arrhenius behaviour is ascertained by comparing rates at the sampled temperatures with ones from the Arrhenius expression. Three prototype systems with corrugated energy landscapes, namely, solvated alanine dipeptide, diffusion at the metal-solvent interphase, and lithium diffusion in silicon, are studied to highlight various aspects of the method. The method becomes particularly appealing when the Arrhenius parameters can be used to find rates at low temperatures where transitions are rare. Systematic coarse-graining of states can further extend the time scales accessible to the method. Good estimates for the rate parameters are obtained with 500-1000 waiting times.

Temperature conditions for GaAs nanowire formation by Au-assisted molecular beam epitaxy

International Nuclear Information System (INIS)

Tchernycheva, M; Harmand, J C; Patriarche, G; Travers, L; Cirlin, G E

2006-01-01

Molecular beam epitaxial growth of GaAs nanowires using Au particles as a catalyst was investigated. Prior to the growth during annealing, Au alloyed with Ga coming from the GaAs substrate, and melted. Phase transitions of the resulting particles were observed in situ by reflection high-energy electron diffraction (RHEED). The temperature domain in which GaAs nanowire growth is possible was determined. The lower limit of this domain (320 deg. C) is close to the observed catalyst solidification temperature. Below this temperature, the catalyst is buried by GaAs growth. Above the higher limit (620 deg. C), the catalyst segregates on the surface with no significant nanowire formation. Inside this domain, the influence of growth temperature on the nanowire morphology and crystalline structure was investigated in detail by scanning electron microscopy and transmission electron microscopy. The correlation of the nanowire morphology with the RHEED patterns observed during the growth was established. Wurtzite GaAs was found to be the dominant crystal structure of the wires

Kinetic methods for measuring the temperature of clusters and nanoparticles in molecular beams

International Nuclear Information System (INIS)

Makarov, Grigorii N

2011-01-01

The temperature (internal energy) of clusters and nanoparticles is an important physical parameter which affects many of their properties and the character of processes they are involved in. At the same time, determining the temperature of free clusters and nanoparticles in molecular beams is a rather complicated problem because the temperature of small particles depends on their size. In this paper, recently developed kinetic methods for measuring the temperature of clusters and nanoparticles in molecular beams are reviewed. The definition of temperature in the present context is given, and how the temperature affects the properties of and the processes involving the particles is discussed. The temperature behavior of clusters and nanoparticles near a phase transition point is analyzed. Early methods for measuring the temperature of large clusters are briefly described. It is shown that, compared to other methods, new kinetic methods are more universal and applicable for determining the temperature of clusters and nanoparticles of practically any size and composition. The future development and applications of these methods are outlined. (reviews of topical problems)

Self-assembled InAs quantum dots formed by molecular beam epitaxy at low temperature and postgrowth annealing

NARCIS (Netherlands)

Zhan, H.H.; Nötzel, R.; Hamhuis, G.J.; Eijkemans, T.J.; Wolter, J.H.

2003-01-01

Self-assembled InAs quantum dots are grown at low temperature (LT) by molecular beam epitaxy (MBE) on GaAs substrates. The growth is in situ monitored by reflection high-energy electron diffraction, and ex situ evaluated by atomic force microscopy for the morphological properties, and by

High Temperature Catalytic Combustion Suppports Final Report CRADA No. TSB-0841-94

Energy Technology Data Exchange (ETDEWEB)

Hair, Lucy [Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Magno, Scott [Catalytic Combustion Systems, Inc., Mountain View, CA (United States)

2018-01-19

This Small Business CRADA between LLNL and Catalytica was executed on January 25, 1995. The total estimated cost of this project was 113K. LLNL's contribution was estimated at $50K funded under the DOE/Defense Program Small Business Initiative. Catalytica's in-kind contribution was estimated at 63K. Catalytic combusion catalyst systems operate at temperatures from 600°C to above 1300°C. Catalytica has developed technology that limits the catalyst temperature to below 1000°C. At temperatures in the range of 850 to 1000°C, the thermal stability of the catalyst is an important issue. Typical supports such as stabilized aluminas, hexaluminates, zirconia and stabilized zirconia supports are typically used but lack either thermal stability or other desirable properties. Catalytica had developed a new concept for thermally stable mixed oxide supports but this concept required the preparation of molecularly uniform precursors; that is, prior to high temperature treatment of these materials, the elements that make up the mixed oxide must be as nearly uniform as possible on a molecular level. The technique of sol gel processing appeared to be the preferred technique to make these molecularly uniform precursors, and a cooperative program with LLNL was established to prepare and test the proposed compounds. Catalytica proposed the composition and concentration levels for the materials to be prepared.

From boiling point to glass transition temperature: transport coefficients in molecular liquids follow three-parameter scaling.

Science.gov (United States)

Schmidtke, B; Petzold, N; Kahlau, R; Hofmann, M; Rössler, E A

2012-10-01

The phenomenon of the glass transition is an unresolved problem in condensed matter physics. Its prominent feature, the super-Arrhenius temperature dependence of the transport coefficients, remains a challenge to be described over the full temperature range. For a series of molecular glass formers, we combined τ(T) collected from dielectric spectroscopy and dynamic light scattering covering a range 10(-12) s < τ(T) < 10(2) s. Describing the dynamics in terms of an activation energy E(T), we distinguish a high-temperature regime characterized by an Arrhenius law with a constant activation energy E(∞) and a low-temperature regime for which E(coop)(T) ≡ E(T)-E(∞) increases exponentially while cooling. A scaling is introduced, specifically E(coop)(T)/E(∞) [proportionality] exp[-λ(T/T(A)-1)], where λ is a fragility parameter and T(A) a reference temperature proportional to E(∞). In order to describe τ(T) still the attempt time τ(∞) has to be specified. Thus, a single interaction parameter E(∞) describing the high-temperature regime together with λ controls the temperature dependence of low-temperature cooperative dynamics.

Carbon-13 Labeling Used to Probe Cure and Degradation Reactions of High- Temperature Polymers

Science.gov (United States)

Meador, Mary Ann B.; Johnston, J. Christopher

1998-01-01

High-temperature, crosslinked polyimides are typically insoluble, intractible materials. Consequently, in these systems it has been difficult to follow high-temperature curing or long-term degradation reactions on a molecular level. Selective labeling of the polymers with carbon-13, coupled with solid nuclear magnetic resonance spectrometry (NMR), enables these reactions to be followed. We successfully employed this technique to provide insight into both curing and degradation reactions of PMR-15, a polymer matrix resin used extensively in aircraft engine applications.

Effects of strain rate and temperature on the mechanical behavior of carbon black reinforced elastomers based on butyl rubber and high molecular weight polyethylene

Science.gov (United States)

Hussein, M.

2018-06-01

The influence of the mechanical property and morphology of different blend ratio of Butyl rubber (IIR)/high molecular weight polyethylene (PE) by temperature and strain rate are performed. Special attention has been considered to a ductile-brittle transition that is known to occur at around 60 °C. The idea is to explain the unexpected phenomenon of brittleness which directly related to all tensile mechanical properties such as the strength of blends, modulus of elasticity of filled and unfilled IIR-polyethylene blends. In particular, the initial Young's modulus, tensile strength and strain at failure exhibit similar dependency on strain rate and temperature. These quantities lowered and increased with an increment of temperature, whereas the increased with increasing of strain rate. Furthermore, the tensile strength and strain at failure decreases for all temperatures range with the increase of PE content in the blend, except Young's modulus in reverse. The strain rate sensitivity index parameter of the examined polymeric materials is consistent with the micro-mechanisms of deformation and the behavior was well described by an Eyring relationship leading to an activation volume of ∼1 nm3, except for the highest value of unfilled IIR ∼8.45 nm3.

Vapor-solid-solid grown Ge nanowires at integrated circuit compatible temperature by molecular beam epitaxy

Science.gov (United States)

Zhu, Zhongyunshen; Song, Yuxin; Zhang, Zhenpu; Sun, Hao; Han, Yi; Li, Yaoyao; Zhang, Liyao; Xue, Zhongying; Di, Zengfeng; Wang, Shumin

2017-09-01

We demonstrate Au-assisted vapor-solid-solid (VSS) growth of Ge nanowires (NWs) by molecular beam epitaxy at the substrate temperature of ˜180 °C, which is compatible with the temperature window for Si-based integrated circuit. Low temperature grown Ge NWs hold a smaller size, similar uniformity, and better fit with Au tips in diameter, in contrast to Ge NWs grown at around or above the eutectic temperature of Au-Ge alloy in the vapor-liquid-solid (VLS) growth. Six ⟨110⟩ growth orientations were observed on Ge (110) by the VSS growth at ˜180 °C, differing from only one vertical growth direction of Ge NWs by the VLS growth at a high temperature. The evolution of NWs dimension and morphology from the VLS growth to the VSS growth is qualitatively explained by analyzing the mechanism of the two growth modes.

Temperature Effect on Micelle Formation: Molecular Thermodynamic Model Revisited.

Science.gov (United States)

Khoshnood, Atefeh; Lukanov, Boris; Firoozabadi, Abbas

2016-03-08

Temperature affects the aggregation of macromolecules such as surfactants, polymers, and proteins in aqueous solutions. The effect on the critical micelle concentration (CMC) is often nonmonotonic. In this work, the effect of temperature on the micellization of ionic and nonionic surfactants in aqueous solutions is studied using a molecular thermodynamic model. Previous studies based on this technique have predicted monotonic behavior for ionic surfactants. Our investigation shows that the choice of tail transfer energy to describe the hydrophobic effect between the surfactant tails and the polar solvent molecules plays a key role in the predicted CMC. We modify the tail transfer energy by taking into account the effect of the surfactant head on the neighboring methylene group. The modification improves the description of the CMC and the predicted micellar size for aqueous solutions of sodium n-alkyl sulfate, dodecyl trimethylammonium bromide (DTAB), and n-alkyl polyoxyethylene. The new tail transfer energy describes the nonmonotonic behavior of CMC versus temperature. In the DTAB-water system, we redefine the head size by including the methylene group, next to the nitrogen, in the head. The change in the head size along with our modified tail transfer energy improves the CMC and aggregation size prediction significantly. Tail transfer is a dominant energy contribution in micellar and microemulsion systems. It also promotes the adsorption of surfactants at fluid-fluid interfaces and affects the formation of adsorbed layer at fluid-solid interfaces. Our proposed modifications have direct applications in the thermodynamic modeling of the effect of temperature on molecular aggregation, both in the bulk and at the interfaces.

Hydrogen termination of CVD diamond films by high-temperature annealing at atmospheric pressure

NARCIS (Netherlands)

Seshan, V.; Ullien, D.; Castellanos-Gomez, A.; Sachdeva, S.; Murthy, D.H.K.; Savenije, T.J.; Ahmad, H.A.; Nunney, T.S.; Janssens, S.D.; Haenen, K.; Nesládek, M.; Van der Zant, H.S.J.; Sudhölter, E.J.R.; De Smet, L.C.P.M.

2013-01-01

A high-temperature procedure to hydrogenate diamond films using molecular hydrogen at atmospheric pressure was explored. Undoped and doped chemical vapour deposited (CVD) polycrystalline diamond films were treated according to our annealing method using a H2 gas flow down to ?50 ml/min (STP) at

High-temperature superconductivity

International Nuclear Information System (INIS)

Lynn, J.W.

1990-01-01

This book discusses development in oxide materials with high superconducting transition temperature. Systems with Tc well above liquid nitrogen temperature are already a reality and higher Tc's are anticipated. The author discusses how the idea of a room-temperature superconductor appears to be a distinctly possible outcome of materials research

Experimental confirmation of the ITER cryopump high temperature regeneration scheme

International Nuclear Information System (INIS)

Day, C.; Haas, H.

2007-01-01

Forschungszentrum Karlsruhe (FZK) is developing the ITER high vacuum pumping systems for evacuation and maintenance of the required pressure levels in the torus (during burn and dwell, conditioning and leak detection), the neutral beam injectors and the cryostat vessel. All ITER high vacuum systems share the same concept of accumulative cryosorption pumping. The pumping surfaces, forced-cooled by 4.5 K supercritical helium, are coated with activated charcoal so as to be able to adsorb helium and hydrogens. All other gases are cryopumped by cryogenic phase transition from gaseous into the liquid/solid state. For the hydrogen processing pumps in the torus and the NBI, the maximum pumping time is given by the limitation of the maximum hydrogen inventory such that the resulting pressure in case of a loss of vacuum event and a corresponding oxy-hydrogen explosion is compatible to the design criteria of the vacuum vessel. To limit the gas accumulation, a staggered regeneration philosophy has been adopted, which involves three different temperature levels in order to achieve high regeneration efficiencies at best availability of the pumping system. The regular regeneration step is performed at a charcoal temperature of 90 K to release all hydrogen isotopomers (and helium), which are subsequently pumped out by the forevacuum pumping system. The second step at ambient temperature leads to the release of all air-like species. It has to be performed less frequently, probably over-night. Any water-like species with strong sorption bonding forces need still higher temperatures for effective desorption from the charcoal. These species comprise not only water itself but also high molecular tracers added to the water circuits in case of leak localisation and any pumped higher hydrocarbons from the plasma exhaust or. The latter in their tritiated forms may contribute significantly to the semi-permanent tritium inventory; a good knowledge of their regeneration characteristics is

High-temperature dynamic behavior in bulk liquid water: A molecular dynamics simulation study using the OPC and TIP4P-Ew potentials

Science.gov (United States)

Gabrieli, Andrea; Sant, Marco; Izadi, Saeed; Shabane, Parviz Seifpanahi; Onufriev, Alexey V.; Suffritti, Giuseppe B.

2018-02-01

Classical molecular dynamics simulations were performed to study the high-temperature (above 300 K) dynamic behavior of bulk water, specifically the behavior of the diffusion coefficient, hydrogen bond, and nearest-neighbor lifetimes. Two water potentials were compared: the recently proposed "globally optimal" point charge (OPC) model and the well-known TIP4P-Ew model. By considering the Arrhenius plots of the computed inverse diffusion coefficient and rotational relaxation constants, a crossover from Vogel-Fulcher-Tammann behavior to a linear trend with increasing temperature was detected at T* ≈ 309 and T* ≈ 285 K for the OPC and TIP4P-Ew models, respectively. Experimentally, the crossover point was previously observed at T* ± 315-5 K. We also verified that for the coefficient of thermal expansion α P ( T, P), the isobaric α P ( T) curves cross at about the same T* as in the experiment. The lifetimes of water hydrogen bonds and of the nearest neighbors were evaluated and were found to cross near T*, where the lifetimes are about 1 ps. For T T*, water behaves more like a simple liquid. The fact that T* falls within the biologically relevant temperature range is a strong motivation for further analysis of the phenomenon and its possible consequences for biomolecular systems.

Temperature effects on multiphase reactions of organic molecular markers: A modeling study

Science.gov (United States)

Pratap, Vikram; Chen, Ying; Yao, Guangming; Nakao, Shunsuke

2018-04-01

Various molecular markers are used in source apportionment studies. In early studies, molecular markers were assumed to be inert. However, recent studies suggest that molecular markers can decay rapidly through multiphase reactions, which makes interpretation of marker measurements challenging. This study presents a simplified model to account for the effects of temperature and relative humidity on the lifetime of molecular markers through a shift in gas-particle partitioning as well as a change in viscosity of the condensed phase. As a model case, this study examines the stability of levoglucosan, a key marker species of biomass burning, over a wide temperature range relevant to summertime and wintertime. Despite the importance of wood combustion for space heating in winter, the lifetime of levoglucosan in wintertime is not well understood. The model predicts that in low-temperature conditions, levoglucosan predominantly remains in the particle phase, and therefore its loss due to gas-phase oxidation reactions is significantly reduced. Furthermore, the movement of the levoglucosan from the bulk of the particle to the particle surface is reduced due to low diffusivity in the semi-solid state. The simplified model developed in this study reasonably reproduces upper and lower bounds of the lifetime of levoglucosan investigated in previous studies. The model results show that the levoglucosan depletion after seven days reduces significantly from ∼98% at 25 °C to marker (lifetime > 1 week) even at 60% relative humidity irrespective of the assumed fragility parameter D that controls estimated diffusivity. The model shows that lifetime of an organic molecular marker strongly depends on assumed D especially when a semi-volatile marker is in semi-solid organic aerosol.

Finite-temperature orbital-free DFT molecular dynamics: Coupling PROFESS and QUANTUM ESPRESSO

Science.gov (United States)

Karasiev, Valentin V.; Sjostrom, Travis; Trickey, S. B.

2014-12-01

Implementation of orbital-free free-energy functionals in the PROFESS code and the coupling of PROFESS with the QUANTUM ESPRESSO code are described. The combination enables orbital-free DFT to drive ab initio molecular dynamics simulations on the same footing (algorithms, thermostats, convergence parameters, etc.) as for Kohn-Sham (KS) DFT. All the non-interacting free-energy functionals implemented are single-point: the local density approximation (LDA; also known as finite-T Thomas-Fermi, ftTF), the second-order gradient approximation (SGA or finite-T gradient-corrected TF), and our recently introduced finite-T generalized gradient approximations (ftGGA). Elimination of the KS orbital bottleneck via orbital-free methodology enables high-T simulations on ordinary computers, whereas those simulations would be costly or even prohibitively time-consuming for KS molecular dynamics (MD) on very high-performance computer systems. Example MD simulations on H over a temperature range 2000 K ≤ T ≤4,000,000 K are reported, with timings on small clusters (16-128 cores) and even laptops. With respect to KS-driven calculations, the orbital-free calculations are between a few times through a few hundreds of times faster.

A room-temperature non-volatile CNT-based molecular memory cell

Science.gov (United States)

Ye, Senbin; Jing, Qingshen; Han, Ray P. S.

2013-04-01

Recent experiments with a carbon nanotube (CNT) system confirmed that the innertube can oscillate back-and-forth even under a room-temperature excitation. This demonstration of relative motion suggests that it is now feasible to build a CNT-based molecular memory cell (MC), and the key to bring the concept to reality is the precision control of the moving tube for sustained and reliable read/write (RW) operations. Here, we show that by using a 2-section outertube design, we are able to suitably recalibrate the system energetics and obtain the designed performance characteristics of a MC. Further, the resulting energy modification enables the MC to operate as a non-volatile memory element at room temperatures. Our paper explores a fundamental understanding of a MC and its response at the molecular level to roadmap a novel approach in memory technologies that can be harnessed to overcome the miniaturization limit and memory volatility in memory technologies.

The rotational temperature of polar molecular ions in Coulomb crystals

International Nuclear Information System (INIS)

Bertelsen, Anders; Joergensen, Solvejg; Drewsen, Michael

2006-01-01

With MgH + ions as a test case, we investigate to what extent the rotational motion of smaller polar molecular ions sympathetically cooled into Coulomb crystals in linear Paul traps couples to the translational motions of the ion ensemble. By comparing the results obtained from rotational resonance-enhanced multiphoton photo-dissociation experiments with data from theoretical simulations, we conclude that the effective rotational temperature exceeds the translational temperature (<100 mK) by more than two orders of magnitude, indicating a very weak coupling. (letter to the editor)

Organic solvent and temperature-enhanced ion chromatography-high resolution mass spectrometry for the determination of low molecular weight organic and inorganic anions

International Nuclear Information System (INIS)

Gilchrist, Elizabeth S.; Nesterenko, Pavel N.; Smith, Norman W.; Barron, Leon P.

2015-01-01

Highlights: • IC selectivity at high contents of organic solvent in eluent and elevated temperature is studied. • Solvent-enhanced IC coupled to high resolution MS is beneficial for sensitive detection of ions. • The first application of IC-HRMS to the detection of low explosives in fingermarks is shown. - Abstract: There has recently been increased interest in coupling ion chromatography (IC) to high resolution mass spectrometry (HRMS) to enable highly sensitive and selective analysis. Herein, the first comprehensive study focusing on the direct coupling of suppressed IC to HRMS without the need for post-suppressor organic solvent modification is presented. Chromatographic selectivity and added HRMS sensitivity offered by organic solvent-modified IC eluents on a modern hyper-crosslinked polymeric anion-exchange resin (IonPac AS18) are shown using isocratic eluents containing 5–50 mM hydroxide with 0–80% methanol or acetonitrile for a range of low molecular weight anions (<165 Da). Comprehensive experiments on IC thermodynamics over a temperature range between 20–45 °C with the eluent containing up to 60% of acetonitrile or methanol revealed markedly different retention behaviour and selectivity for the selected analytes on the same polymer based ion-exchange resin. Optimised sensitivity with HRMS was achieved with as low as 30–40% organic eluent content. Analytical performance characteristics are presented and compared with other IC-MS based works. This study also presents the first application of IC-HRMS to forensic detection of trace low-order anionic explosive residues in latent human fingermarks

Organic solvent and temperature-enhanced ion chromatography-high resolution mass spectrometry for the determination of low molecular weight organic and inorganic anions

Energy Technology Data Exchange (ETDEWEB)

Gilchrist, Elizabeth S. [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom); Nesterenko, Pavel N. [Australian Centre for Research on Separation Science, School of Physical Sciences, University of Tasmania, Private Bag 75, Hobart 7001 (Australia); Smith, Norman W. [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom); Barron, Leon P., E-mail: leon.barron@kcl.ac.uk [Analytical & Environmental Science Division, Department of Forensic & Analytical Science, King’s College London, 150 Stamford Street, London, SE1 9NH (United Kingdom)

2015-03-20

Highlights: • IC selectivity at high contents of organic solvent in eluent and elevated temperature is studied. • Solvent-enhanced IC coupled to high resolution MS is beneficial for sensitive detection of ions. • The first application of IC-HRMS to the detection of low explosives in fingermarks is shown. - Abstract: There has recently been increased interest in coupling ion chromatography (IC) to high resolution mass spectrometry (HRMS) to enable highly sensitive and selective analysis. Herein, the first comprehensive study focusing on the direct coupling of suppressed IC to HRMS without the need for post-suppressor organic solvent modification is presented. Chromatographic selectivity and added HRMS sensitivity offered by organic solvent-modified IC eluents on a modern hyper-crosslinked polymeric anion-exchange resin (IonPac AS18) are shown using isocratic eluents containing 5–50 mM hydroxide with 0–80% methanol or acetonitrile for a range of low molecular weight anions (<165 Da). Comprehensive experiments on IC thermodynamics over a temperature range between 20–45 °C with the eluent containing up to 60% of acetonitrile or methanol revealed markedly different retention behaviour and selectivity for the selected analytes on the same polymer based ion-exchange resin. Optimised sensitivity with HRMS was achieved with as low as 30–40% organic eluent content. Analytical performance characteristics are presented and compared with other IC-MS based works. This study also presents the first application of IC-HRMS to forensic detection of trace low-order anionic explosive residues in latent human fingermarks.

Integrated physiological, biochemical and molecular analysis identifies important traits and mechanisms associated with differential response of rice genotypes to elevated temperature

Directory of Open Access Journals (Sweden)

Boghireddy eSailaja

2015-11-01

Full Text Available In changing climate, heat stress caused by high temperature poses a serious threat to rice cultivation. A multiple organizational analysis at physiological, biochemical and molecular level is required to fully understand the impact of elevated temperature in rice. This study was aimed at deciphering the elevated temperature response in eleven popular and mega rice cultivars widely grown in India. Physiological and biochemical traits specifically membrane thermostability (MTS, antioxidants, and photosynthesis were studied at vegetative and reproductive phases which were used to establish a correlation with grain yield under stress. Several useful traits in different genotypes were identified which will be important resource to develop high temperature tolerant rice cultivars. Interestingly, Nagina22 emerged as best performer in terms of yield as well as expression of physiological and biochemical traits at elevated temperature. It showed lesser relative injury, lesser reduction in chlorophyll content, increased super oxide dismutase, catalase and peroxidase activity, lesser reduction in net photosynthetic rate (PN, high transpiration rate (E and other photosynthetic/ fluorescence parameters contributing to least reduction in spikelet fertility and grain yield at elevated temperature. Further, expression of 14 genes including heat shock transcription factors and heat shock proteins was analyzed in Nagina22 (tolerant and Vandana (susceptible at flowering phase, strengthening the fact that N22 performs better at molecular level also during elevated temperature. This study shows that elevated temperature response is complex and involves multiple biological processes which are needed to be characterized to address the challenges of future climate extreme conditions.

High Temperature Chemistry of Aromatic Hydrocarbons. Final Technical Report

Energy Technology Data Exchange (ETDEWEB)

Scott, Lawrence T. [Boston College, Chestnut Hill, MA (United States). Merkert Chemistry Center, Dept. of Chemistry

2017-05-15

The primary goal of this research was to uncover the principal reaction channels available to polycyclic aromatic hydrocarbons (PAHs) at high temperatures in the gas phase and to establish the factors that determine which channels will be followed in varying circumstances. New structure-property relationships for PAHs were also studied. The efficient production of clean energy from fossil fuels will remain a major component of the DOE mission until alternative sources of energy eventually displace coal and petroleum. Hydrocarbons constitute the most basic class of compounds in all of organic chemistry, and as the dominant species in fossil fuels, they figure prominently into the programs of the DOE. Much is already known about the normal chemistry of hydrocarbons under ambient conditions, but far less is known about their intrinsic chemistry at temperatures close to those reached during combustion. An understanding of the fundamental molecular transformations, rearrangements, and interconversions of PAHs at high temperatures in the gas phase, as revealed by careful studies on small, well-designed, molecular systems, provides insights into the underlying chemistry of many important processes that are more complex, such as the generation of energy by the combustion of fossil fuels, the uncatalyzed gasification and liquefaction of coal, the production of fullerenes in fuel-rich flames, and the formation of soot and carcinogenic pollutants in smoke (e.g., benzo[a]pyrene). The rational control of any of these processes, whether it be the optimization of a desirable process or the minimization of an undesirable one, requires a clear knowledge of the basic chemistry that governs the fate of the species involved. Advances in chemistry at the most fundamental level come about primarily from the discovery of new reactions and from new insights into how reactions occur. Harnessing that knowledge is the key to new technologies. The recent commercialization of a combustion

High resolution x-ray diffraction analysis of annealed low-temperature gallium arsenide

Science.gov (United States)

Matyi, R. J.; Melloch, M. R.; Woodall, J. M.

1992-05-01

High resolution x-ray diffraction methods have been used to characterize GaAs grown at low substrate temperatures by molecular beam epitaxy and to examine the effects of post-growth annealing on the structure of the layers. Double crystal rocking curves from the as-deposited epitaxial layer show well-defined interference fringes, indicating a high level of structural perfection despite the presence of excess arsenic. Annealing at temperatures from 700 to 900 °C resulted in a decrease in the perpendicular lattice mismatch between the GaAs grown at low temperature and the substrate from 0.133% to 0.016% and a decrease (but not total elimination) of the visibility of the interference fringes. Triple-crystal diffraction scans around the 004 point in reciprocal space exhibited an increase in the apparent mosaic spread of the epitaxial layer with increasing anneal temperature. The observations are explained in terms of the growth of arsenic precipitates in the epitaxial layer.

FEM Modeling of the Relationship between the High-Temperature Hardness and High-Temperature, Quasi-Static Compression Experiment.

Science.gov (United States)

Zhang, Tao; Jiang, Feng; Yan, Lan; Xu, Xipeng

2017-12-26

The high-temperature hardness test has a wide range of applications, but lacks test standards. The purpose of this study is to develop a finite element method (FEM) model of the relationship between the high-temperature hardness and high-temperature, quasi-static compression experiment, which is a mature test technology with test standards. A high-temperature, quasi-static compression test and a high-temperature hardness test were carried out. The relationship between the high-temperature, quasi-static compression test results and the high-temperature hardness test results was built by the development of a high-temperature indentation finite element (FE) simulation. The simulated and experimental results of high-temperature hardness have been compared, verifying the accuracy of the high-temperature indentation FE simulation.The simulated results show that the high temperature hardness basically does not change with the change of load when the pile-up of material during indentation is ignored. The simulated and experimental results show that the decrease in hardness and thermal softening are consistent. The strain and stress of indentation were analyzed from the simulated contour. It was found that the strain increases with the increase of the test temperature, and the stress decreases with the increase of the test temperature.

FEM Modeling of the Relationship between the High-Temperature Hardness and High-Temperature, Quasi-Static Compression Experiment

Directory of Open Access Journals (Sweden)

Tao Zhang

2017-12-01

Full Text Available The high-temperature hardness test has a wide range of applications, but lacks test standards. The purpose of this study is to develop a finite element method (FEM model of the relationship between the high-temperature hardness and high-temperature, quasi-static compression experiment, which is a mature test technology with test standards. A high-temperature, quasi-static compression test and a high-temperature hardness test were carried out. The relationship between the high-temperature, quasi-static compression test results and the high-temperature hardness test results was built by the development of a high-temperature indentation finite element (FE simulation. The simulated and experimental results of high-temperature hardness have been compared, verifying the accuracy of the high-temperature indentation FE simulation.The simulated results show that the high temperature hardness basically does not change with the change of load when the pile-up of material during indentation is ignored. The simulated and experimental results show that the decrease in hardness and thermal softening are consistent. The strain and stress of indentation were analyzed from the simulated contour. It was found that the strain increases with the increase of the test temperature, and the stress decreases with the increase of the test temperature.

Vibronic Boson Sampling: Generalized Gaussian Boson Sampling for Molecular Vibronic Spectra at Finite Temperature.

Science.gov (United States)

Huh, Joonsuk; Yung, Man-Hong

2017-08-07

Molecular vibroic spectroscopy, where the transitions involve non-trivial Bosonic correlation due to the Duschinsky Rotation, is strongly believed to be in a similar complexity class as Boson Sampling. At finite temperature, the problem is represented as a Boson Sampling experiment with correlated Gaussian input states. This molecular problem with temperature effect is intimately related to the various versions of Boson Sampling sharing the similar computational complexity. Here we provide a full description to this relation in the context of Gaussian Boson Sampling. We find a hierarchical structure, which illustrates the relationship among various Boson Sampling schemes. Specifically, we show that every instance of Gaussian Boson Sampling with an initial correlation can be simulated by an instance of Gaussian Boson Sampling without initial correlation, with only a polynomial overhead. Since every Gaussian state is associated with a thermal state, our result implies that every sampling problem in molecular vibronic transitions, at any temperature, can be simulated by Gaussian Boson Sampling associated with a product of vacuum modes. We refer such a generalized Gaussian Boson Sampling motivated by the molecular sampling problem as Vibronic Boson Sampling.

Supersymmetry at high temperatures

International Nuclear Information System (INIS)

Das, A.; Kaku, M.

1978-01-01

We investigate the properties of Green's functions in a spontaneously broken supersymmetric model at high temperatures. We show that, even at high temperatures, we do not get restoration of supersymmetry, at least in the one-loop approximation

Comparative molecular simulation study of low and high density polymer glasses: A competition between attractive and repulsive interactions

Science.gov (United States)

Singh, Jalim; Jose, Prasanth

Results of molecular dynamics simulations of a system of Kremer and Grest linear polymer melts are presented at moderate and high number density. A detailed study of molecular pair distribution function shows that potential of mean force between the molecules has form of Gaussian with an attractive tail at number density ρ = 0.85 (in Lennard-Jones units), which is due to the dominating attractive interactions from temperature T = 0.7. This system shows gelation assisted glass transition, which is interpreted from peaks of molecular structure factor at small wave-numbers. At low temperature, this system phase separate to form dense domains whose local density is high; these domains show many dynamical features of glass transition in monomer and molecular level of relaxation indicating glass transition is assisted by gelation in this system. In the same system, at ρ = 1.0, repulsive interactions dominate, structure does not change even at low temperatures; the system exhibits dynamic heterogeneity and known to undergo glass transition. In this work, we compare and contrast the structure and dynamics of the system near its glass transition. Also, we computed correlation length of systems from the peak value of four-point structural dynamic susceptibility. HPC facility at IIT Mandi.

High temperature high vacuum creep testing facilities

International Nuclear Information System (INIS)

Matta, M.K.

1985-01-01

Creep is the term used to describe time-dependent plastic flow of metals under conditions of constant load or stress at constant high temperature. Creep has an important considerations for materials operating under stresses at high temperatures for long time such as cladding materials, pressure vessels, steam turbines, boilers,...etc. These two creep machines measures the creep of materials and alloys at high temperature under high vacuum at constant stress. By the two chart recorders attached to the system one could register time and temperature versus strain during the test . This report consists of three chapters, chapter I is the introduction, chapter II is the technical description of the creep machines while chapter III discuss some experimental data on the creep behaviour. Of helium implanted stainless steel. 13 fig., 3 tab

Thermal characterization of Ag and Ag + N ion implanted ultra-high molecular weight polyethylene (UHMWPE)

Science.gov (United States)

Sokullu Urkac, E.; Oztarhan, A.; Tihminlioglu, F.; Kaya, N.; Ila, D.; Muntele, C.; Budak, S.; Oks, E.; Nikolaev, A.; Ezdesir, A.; Tek, Z.

2007-08-01

Most of total hip joints are composed of ultra-high molecular weight polyethylene (UHMWPE). However, as ultra-high molecular weight polyethylene is too stable in a body, wear debris may accumulate and cause biological response such as bone absorption and loosening of prosthesis. In this study, ultra-high molecular weight polyethylene samples were Ag and Ag + N hybrid ion implanted by using MEVVA ion implantation technique to improve its surface properties. Samples were implanted with a fluence of 1017 ion/cm2 and extraction voltage of 30 kV. Implanted and unimplanted samples were investigated by thermo-gravimetry analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), optical microscopy (OM) and contact Angle measurement. Thermal characterization results showed that the ion bombardment induced an increase in the % crystallinity, onset and termination degradation temperatures of UHMWPE.

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Pogorelko, Victor V., E-mail: vik_ko83@mail.ru [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation); Mayer, Alexander E., E-mail: mayer@csu.ru [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation); Krasnikov, Vasiliy S., E-mail: vas.krasnikov@gmail.com [Chelyabinsk State University, Bratiev Kashirinykh 129, 454001 Chelyabinsk (Russian Federation); South Ural State University (National Research University), Lenin Prospect 76, 454080 Chelyabinsk (Russian Federation)

2016-12-30

Highlights: • High-speed nanoparticle impact induces shock waves and intensive plastic deformation. • Lattice orientation strongly influences on the deformation degree. • Plastic deformation goes through nucleation, growth and separation of semi-loops. • Medium impact energy and elevated temperature are optimal for high-quality coating. • High impact velocity and room temperature lead to plastic deformation and coating. - Abstract: We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2–22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

International Nuclear Information System (INIS)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-01-01

Highlights: • High-speed nanoparticle impact induces shock waves and intensive plastic deformation. • Lattice orientation strongly influences on the deformation degree. • Plastic deformation goes through nucleation, growth and separation of semi-loops. • Medium impact energy and elevated temperature are optimal for high-quality coating. • High impact velocity and room temperature lead to plastic deformation and coating. - Abstract: We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2–22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the

Ultra-high temperature direct propulsion

International Nuclear Information System (INIS)

Araj, K.J.; Slovik, G.; Powell, J.R.; Ludewig, H.

1987-01-01

Potential advantages of ultra-high exhaust temperature (3000 K - 4000 K) direct propulsion nuclear rockets are explored. Modifications to the Particle Bed Reactor (PBR) to achieve these temperatures are described. Benefits of ultra-high temperature propulsion are discussed for two missions - orbit transfer (ΔV = 5546 m/s) and interplanetary exploration (ΔV = 20000 m/s). For such missions ultra-high temperatures appear to be worth the additional complexity. Thrust levels are reduced substantially for a given power level, due to the higher enthalpy caused by partial disassociation of the hydrogen propellant. Though technically challenging, it appears potentially feasible to achieve such ultra high temperatures using the PBR

Graphene on Cu(111) at the nonzero temperatures: Molecular dynamic simulation

Science.gov (United States)

Sidorenkov, A. V.; Kolesnikov, S. V.; Saletsky, A. M.

2017-11-01

We present results of molecular dynamic simulation of continuous graphene monolayer on Cu(111). In this paper, we investigate the dependencies of the average binding energy and the average binding distance on the temperature. The interaction between carbon and copper atoms was described by Lennard-Jones potential. It is shown that the binding energy practically remains constant in a wide range of temperatures 0-800 K. However, in the same temperature range, the binding distance of graphene on Cu(111) surface has a linear dependence on temperature. The dependence of the linear thermal expansion coefficient of the binding distance on Lennard-Jones parameters has been calculated. We suggest a simple theoretical model to explain this dependence qualitatively.

Determination of phosphorus, sulfur and the halogens using high-temperature molecular absorption spectrometry in flames and furnaces-A review

International Nuclear Information System (INIS)

Welz, Bernhard; Lepri, Fabio G.; Araujo, Rennan G.O.; Ferreira, Sergio L.C.; Huang Maodong; Okruss, Michael; Becker-Ross, Helmut

2009-01-01

The literature about the investigation of molecular spectra of phosphorus, sulfur and the halogens in flames and furnaces, and the use of these spectra for the determination of these non-metals has been reviewed. Most of the investigations were carried out using conventional atomic absorption spectrometers, and there were in essence two different approaches. In the first one, dual-channel spectrometers with a hydrogen or deuterium lamp were used, applying the two-line method for background correction; in the second one, a line source was used that emitted an atomic line, which overlapped with the molecular spectrum. The first approach had the advantage that any spectral interval could be accessed, but it was susceptible to spectral interference; the second one had the advantage that the conventional background correction systems could be used to minimize spectral interferences, but had the problem that an atomic line had to be found, which was overlapping sufficiently well with the maximum of the molecular absorption spectrum. More recently a variety of molecular absorption spectra were investigated using a low-resolution polychromator with a CCD array detector, but no attempt was made to use this approach for quantitative determination of non-metals. The recent introduction and commercial availability of high-resolution continuum source atomic absorption spectrometers is offering completely new possibilities for molecular absorption spectrometry and its use for the determination of non-metals. The use of a high-intensity continuum source together with a high-resolution spectrometer and a CCD array detector makes possible selecting the optimum wavelength for the determination and to exclude most spectral interferences.

High temperature structural silicides

International Nuclear Information System (INIS)

Petrovic, J.J.

1997-01-01

Structural silicides have important high temperature applications in oxidizing and aggressive environments. Most prominent are MoSi 2 -based materials, which are borderline ceramic-intermetallic compounds. MoSi 2 single crystals exhibit macroscopic compressive ductility at temperatures below room temperature in some orientations. Polycrystalline MoSi 2 possesses elevated temperature creep behavior which is highly sensitive to grain size. MoSi 2 -Si 3 N 4 composites show an important combination of oxidation resistance, creep resistance, and low temperature fracture toughness. Current potential applications of MoSi 2 -based materials include furnace heating elements, molten metal lances, industrial gas burners, aerospace turbine engine components, diesel engine glow plugs, and materials for glass processing

High temperature resistive phase transition in A15 high temperature superconductors

International Nuclear Information System (INIS)

Chu, C.W.; Huang, C.Y.; Schmidt, P.H.; Sugawara, K.

1976-01-01

Resistive measurements were made on A15 high temperature superconductors. Anomalies indicative of a phase transition were observed at 433 0 K in a single crystal Nb 3 Sn and at 485 0 K in an unbacked Nb 3 Ge sputtered thin film. Results are compared with the high temperature transmission electron diffraction studies of Nb 3 Ge films by Schmidt et al. A possible instability in the electron energy spectrum is discussed

Molecular dynamic simulations of the high-speed copper nanoparticles collision with the aluminum surface

Science.gov (United States)

Pogorelko, V. V.; Mayer, A. E.

2016-11-01

With the use of the molecular dynamic simulations, we investigated the effect of the high-speed (500 m/s, 1000 m/s) copper nanoparticle impact on the mechanical properties of an aluminum surface. Dislocation analysis shows that a large number of dislocations are formed in the impact area; the total length of dislocations is determined not only by the speed and size of the incoming copper nanoparticle (kinetic energy of the nanoparticle), but by a temperature of the system as well. The dislocations occupy the whole area of the aluminum single crystal at high kinetic energy of the nanoparticle. With the decrease of the nanoparticle kinetic energy, the dislocation structures are formed in the near-surface layer; formation of the dislocation loops takes place. Temperature rise of the system (aluminum substrate + nanoparticle) reduces the total dislocation length in the single crystal of aluminum; there is deeper penetration of the copper atoms in the aluminum at high temperatures. Average energy of the nanoparticles and room temperature of the system are optimal for production of high-quality layers of copper on the aluminum surface.

High-entropy alloys as high-temperature thermoelectric materials

Energy Technology Data Exchange (ETDEWEB)

Shafeie, Samrand [Surface and Microstructure Engineering Group, Materials and Manufacturing Technology, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Guo, Sheng, E-mail: sheng.guo@chalmers.se [Surface and Microstructure Engineering Group, Materials and Manufacturing Technology, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Hu, Qiang [Institute of Applied Physics, Jiangxi Academy of Sciences, Nanchang 330029 (China); Fahlquist, Henrik [Bruker AXS Nordic AB, 17067 Solna (Sweden); Erhart, Paul [Department of Applied Physics, Chalmers University of Technology, SE-41296 Gothenburg (Sweden); Palmqvist, Anders, E-mail: anders.palmqvist@chalmers.se [Department of Chemistry and Chemical Engineering, Chalmers University of Technology, SE-41296 Gothenburg (Sweden)

2015-11-14

Thermoelectric (TE) generators that efficiently recycle a large portion of waste heat will be an important complementary energy technology in the future. While many efficient TE materials exist in the lower temperature region, few are efficient at high temperatures. Here, we present the high temperature properties of high-entropy alloys (HEAs), as a potential new class of high temperature TE materials. We show that their TE properties can be controlled significantly by changing the valence electron concentration (VEC) of the system with appropriate substitutional elements. Both the electrical and thermal transport properties in this system were found to decrease with a lower VEC number. Overall, the large microstructural complexity and lower average VEC in these types of alloys can potentially be used to lower both the total and the lattice thermal conductivity. These findings highlight the possibility to exploit HEAs as a new class of future high temperature TE materials.

Non-equilibrium responses of PFPE lubricants with various atomistic/molecular architecture at elevated temperature

Science.gov (United States)

Chung, Pil Seung; Song, Wonyup; Biegler, Lorenz T.; Jhon, Myung S.

2017-05-01

During the operation of hard disk drive (HDD), the perfluoropolyether (PFPE) lubricant experiences elastic or viscous shear/elongation deformations, which affect the performance and reliability of the HDD. Therefore, the viscoelastic responses of PFPE could provide a finger print analysis in designing optimal molecular architecture of lubricants to control the tribological phenomena. In this paper, we examine the rheological responses of PFPEs including storage (elastic) and loss (viscous) moduli (G' and G″) by monitoring the time-dependent-stress-strain relationship via non-equilibrium molecular dynamics simulations. We analyzed the rheological responses by using Cox-Merz rule, and investigated the molecular structural and thermal effects on the solid-like and liquid-like behaviors of PFPEs. The temperature dependence of the endgroup agglomeration phenomena was examined, where the functional endgroups are decoupled as the temperature increases. By analyzing the relaxation processes, the molecular rheological studies will provide the optimal lubricant selection criteria to enhance the HDD performance and reliability for the heat-assisted magnetic recording applications.

Non-equilibrium responses of PFPE lubricants with various atomistic/molecular architecture at elevated temperature

Directory of Open Access Journals (Sweden)

Pil Seung Chung

2017-05-01

Full Text Available During the operation of hard disk drive (HDD, the perfluoropolyether (PFPE lubricant experiences elastic or viscous shear/elongation deformations, which affect the performance and reliability of the HDD. Therefore, the viscoelastic responses of PFPE could provide a finger print analysis in designing optimal molecular architecture of lubricants to control the tribological phenomena. In this paper, we examine the rheological responses of PFPEs including storage (elastic and loss (viscous moduli (G′ and G″ by monitoring the time-dependent-stress-strain relationship via non-equilibrium molecular dynamics simulations. We analyzed the rheological responses by using Cox-Merz rule, and investigated the molecular structural and thermal effects on the solid-like and liquid-like behaviors of PFPEs. The temperature dependence of the endgroup agglomeration phenomena was examined, where the functional endgroups are decoupled as the temperature increases. By analyzing the relaxation processes, the molecular rheological studies will provide the optimal lubricant selection criteria to enhance the HDD performance and reliability for the heat-assisted magnetic recording applications.

Low temperature and high pressure crystals of room temperature ionic liquid: N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate

International Nuclear Information System (INIS)

Abe, Hiroshi; Imai, Yusuke; Takekiyo, Takahiro; Yoshimura, Yukihiro; Hamaya, Nozomu

2014-01-01

Crystals of room temperature ionic liquid (RTIL) are obtained separately at low temperature or under high pressure. The RTIL is N, N-diethyl-N-methyl-N-(2-methoxyethyl) ammonium tetrafluoroborate, [DEME][BF 4 ]. At ambient pressure, low-temperature (LT) crystals appeared on slow cooling. By simultaneous X-ray diffraction and differential scanning calorimetry (DSC) measurements, metastable monoclinic and stable orthorhombic phases coexist in pure [DEME][BF 4 ]. Furthermore, the DSC thermal trace indicates that the metastable monoclinic phase was stabilized by adding water. In contrast, on compression process up to 7.6 GPa, crystallization is completely suppressed even upon slow compression. Direct observations using optical microscopy also support no crystal domain growth on compression process. High-pressure (HP) crystals at room temperature were seen only on decompression process, where two different kinds of crystals appeared subsequently. By crystal structure analysis, the LT crystal structures have no relation with the HP ones. Moreover, both metastable monoclinic phase at low temperature and higher pressure crystal has a folding molecular conformation and anti-parallel pairing of the [DEME] cation as the instability factors

Electron mobility in nonpolar liquids: the effect of molecular structure, temperature and electric field

International Nuclear Information System (INIS)

Schmidt, W.F.

1977-01-01

A survey is given on the mobility of excess electrons in liquid hydrocarbons and related compounds. It was found that the mobility is strongly influenced by the molecular structure of the liquid, by the temperature, and by the electric field strength. The mobility in hydrocarbons increases as the shape of the molecule approaches a sphere. The temperature coefficient is positive in most liquids over a limited temperature although exceptions have been observed in liquid methane. The field dependence of the mobility in high mobility liquids (>10 cm 2 V -1 s -1 ) showed a decrease of the mobility at higher field strengths while in low mobility liquids ( 2 V -1 s -1 ) it showed an increase. These results are discussed on the basis of the extended and the localized electron models. The predictions of these theories are compared with the experimental results and conclusions on the validity of the underlying assumptions are drawn. (author)

Thermal characterization of Ag and Ag + N ion implanted ultra-high molecular weight polyethylene (UHMWPE)

Energy Technology Data Exchange (ETDEWEB)

Sokullu Urkac, E. [Department of Materials Science, Izmir High Technology Institute, Gulbahcekoyu Urla, Izmir (Turkey)]. E-mail: emelsu@gmail.com; Oztarhan, A. [Bioengineering Department, Ege University, Bornova, Izmir 35100 (Turkey); Tihminlioglu, F. [Department of Chemical Engineering, Izmir High Technology Institute, Gulbahcekoyu Urla, Izmir (Turkey); Kaya, N. [Bioengineering Department, Ege University, Bornova, Izmir 35100 (Turkey); Ila, D. [Center for Irradiation of Materials, Alabama A and M University, Normal AL 35762 (United States); Muntele, C. [Center for Irradiation of Materials, Alabama A and M University, Normal AL 35762 (United States); Budak, S. [Center for Irradiation of Materials, Alabama A and M University, Normal AL 35762 (United States); Oks, E. [H C Electronics Institute, Tomsk (Russian Federation); Nikolaev, A. [H C Electronics Institute, Tomsk (Russian Federation); Ezdesir, A. [R and D Department, PETKIM Holding A.S., Aliaga, Izmir 35801 (Turkey); Tek, Z. [Department of Physics, Celal Bayar University, Manisa (Turkey)

2007-08-15

Most of total hip joints are composed of ultra-high molecular weight polyethylene (UHMWPE ). However, as ultra-high molecular weight polyethylene is too stable in a body, wear debris may accumulate and cause biological response such as bone absorption and loosening of prosthesis. In this study, ultra-high molecular weight polyethylene samples were Ag and Ag + N hybrid ion implanted by using MEVVA ion implantation technique to improve its surface properties. Samples were implanted with a fluence of 10{sup 17} ion/cm{sup 2} and extraction voltage of 30 kV. Implanted and unimplanted samples were investigated by thermo-gravimetry analysis (TGA), differential scanning calorimetry (DSC), X-ray diffraction (XRD) analysis, scanning electron microscopy (SEM), optical microscopy (OM) and contact Angle measurement. Thermal characterization results showed that the ion bombardment induced an increase in the % crystallinity, onset and termination degradation temperatures of UHMWPE.

Gradual crossover in molecular organization of stable liquid H2O at moderately high pressure and temperature

Directory of Open Access Journals (Sweden)

Yoshikata Koga

2014-09-01

Full Text Available Using the literature raw data of the speed of sound and the specific volume, the isothermal compressibility, κT, a second derivative thermodynamic quantity of G, was evaluated for liquid H2O in the pressure range up to 350 MPa and the temperature to 50 ºC. We then obtained its pressure derivative, dκT/dp, a third derivative numerically without using a fitting function to the κT data. On taking yet another p-derivative at a fixed T graphically without resorting to any fitting function, the resulting d2κT/dp2, a fourth derivative, showed a weak but clear step anomaly, with the onset of the step named point X and its end point Y. In analogy with another third and fourth derivative pair in binary aqueous solutions of glycerol, dαp/dxGly and d2αp/dxGly2, at 0.1 MPa (αp is the thermal expansivity and xGly the mole fraction of solute glycerol in our recent publication [J. Solution Chem. 43, 663-674 (2014; DOI:10.1007/s10953-013-0122-7], we argue that there is a gradual crossover in the molecular organization of pure H2O from a low to a high p-regions starting at point X and ending at Y at a fixed T. The crossover takes place gradually spanning for about 100 MPa at a fixed temperature. The extrapolated temperature to zero p seems to be about 70 – 80 °C for points X and 90 – 110 °C for Y. Furthermore, the mid-points of X and Y seem to extrapolate to the triple point of liquid, ice Ih and ice III. Recalling that the zero xGly extrapolation of point X and Y for binary aqueous glycerol at 0.1 MPa gives about the same T values respectively, we suggest that at zero pressure the region below about 70 °C the hydrogen bond network is bond-percolated, while above about 90 ºC there is no hydrogen bond network. Implication of these findings is discussed.

High temperature vapors science and technology

CERN Document Server

Hastie, John

2012-01-01

High Temperature Vapors: Science and Technology focuses on the relationship of the basic science of high-temperature vapors to some areas of discernible practical importance in modern science and technology. The major high-temperature problem areas selected for discussion include chemical vapor transport and deposition; the vapor phase aspects of corrosion, combustion, and energy systems; and extraterrestrial high-temperature species. This book is comprised of seven chapters and begins with an introduction to the nature of the high-temperature vapor state, the scope and literature of high-temp

Evaluation of high temperature pressure sensors

International Nuclear Information System (INIS)

Choi, In-Mook; Woo, Sam-Yong; Kim, Yong-Kyu

2011-01-01

It is becoming more important to measure the pressure in high temperature environments in many industrial fields. However, there is no appropriate evaluation system and compensation method for high temperature pressure sensors since most pressure standards have been established at room temperature. In order to evaluate the high temperature pressure sensors used in harsh environments, such as high temperatures above 250 deg. C, a specialized system has been constructed and evaluated in this study. The pressure standard established at room temperature is connected to a high temperature pressure sensor through a chiller. The sensor can be evaluated in conditions of changing standard pressures at constant temperatures and of changing temperatures at constant pressures. According to the evaluation conditions, two compensation methods are proposed to eliminate deviation due to sensitivity changes and nonlinear behaviors except thermal hysteresis.

Mercury-free high pressure discharge lamps dominated by molecular radiation

International Nuclear Information System (INIS)

Kaening, M; Hitzschke, L; Berger, M; Schalk, B; Franke, St; Methling, R

2011-01-01

High intensity discharge (HID) lamps dominated by molecular radiation offer a very promising alternative for use in future light sources. They are able to deliver competitive efficacies of about 110 lm W -1 and higher, excellent colour rendering index above 90 and a correlated colour temperature in the 3000-4000 K region at the operating point near the Planckian locus. Moreover, these lamps are opening up the possibility of dimming. Due to the fact that they are able to omit mercury they are environmentally friendly. The emission spectra generated by these HID lamps differ significantly from those of conventional lamps. The reason for this is the dominance of molecular radiation processes. In comparison with conventional HID lamps atomic contributions are usually rather small. In the present case they amount to less than about 10% of the total intensity in the visible range.

Mercury-free high pressure discharge lamps dominated by molecular radiation

Energy Technology Data Exchange (ETDEWEB)

Kaening, M; Hitzschke, L; Berger, M [Research Europe, OSRAM GmbH, Werner-von-Siemens Strasse 6, 86159 Augsburg (Germany); Schalk, B [Vitec Group Videocom Division, Erfurter Strasse 16, 85386 Eching (Germany); Franke, St; Methling, R, E-mail: m.kaening@osram.de [INP, Leibniz-Institut fuer Plasmaforschung und Technologie e. V., Felix-Hausdorff-Strasse 2, 17489 Greifswald (Germany)

2011-06-08

High intensity discharge (HID) lamps dominated by molecular radiation offer a very promising alternative for use in future light sources. They are able to deliver competitive efficacies of about 110 lm W{sup -1} and higher, excellent colour rendering index above 90 and a correlated colour temperature in the 3000-4000 K region at the operating point near the Planckian locus. Moreover, these lamps are opening up the possibility of dimming. Due to the fact that they are able to omit mercury they are environmentally friendly. The emission spectra generated by these HID lamps differ significantly from those of conventional lamps. The reason for this is the dominance of molecular radiation processes. In comparison with conventional HID lamps atomic contributions are usually rather small. In the present case they amount to less than about 10% of the total intensity in the visible range.

Molecular dynamics for near melting temperatures simulations of metals using modified embedded-atom method

Science.gov (United States)

Etesami, S. Alireza; Asadi, Ebrahim

2018-01-01

Availability of a reliable interatomic potential is one of the major challenges in utilizing molecular dynamics (MD) for simulations of metals at near the melting temperatures and melting point (MP). Here, we propose a novel approach to address this challenge in the concept of modified-embedded-atom (MEAM) interatomic potential; also, we apply the approach on iron, nickel, copper, and aluminum as case studies. We propose adding experimentally available high temperature elastic constants and MP of the element to the list of typical low temperature properties used for the development of MD interatomic potential parameters. We show that the proposed approach results in a reasonable agreement between the MD calculations of melting properties such as latent heat, expansion in melting, liquid structure factor, and solid-liquid interface stiffness and their experimental/computational counterparts. Then, we present the physical properties of mentioned elements near melting temperatures using the new MEAM parameters. We observe that the behavior of elastic constants, heat capacity and thermal linear expansion coefficient at room temperature compared to MP follows an empirical linear relation (α±β × MP) for transition metals. Furthermore, a linear relation between the tetragonal shear modulus and the enthalpy change from room temperature to MP is observed for face-centered cubic materials.

Transcriptomic study to understand thermal adaptation in a high temperature-tolerant strain of Pyropia haitanensis.

Science.gov (United States)

Wang, Wenlei; Teng, Fei; Lin, Yinghui; Ji, Dehua; Xu, Yan; Chen, Changsheng; Xie, Chaotian

2018-01-01

Pyropia haitanensis, a high-yield commercial seaweed in China, is currently undergoing increasing levels of high-temperature stress due to gradual global warming. The mechanisms of plant responses to high temperature stress vary with not only plant type but also the degree and duration of high temperature. To understand the mechanism underlying thermal tolerance in P. haitanensis, gene expression and regulation in response to short- and long-term temperature stresses (SHS and LHS) was investigated by performing genome-wide high-throughput transcriptomic sequencing for a high temperature tolerant strain (HTT). A total of 14,164 differential expression genes were identified to be high temperature-responsive in at least one time point by high-temperature treatment, representing 41.10% of the total number of unigenes. The present data indicated a decrease in the photosynthetic and energy metabolic rates in HTT to reduce unnecessary energy consumption, which in turn facilitated in the rapid establishment of acclimatory homeostasis in its transcriptome during SHS. On the other hand, an increase in energy consumption and antioxidant substance activity was observed with LHS, which apparently facilitates in the development of resistance against severe oxidative stress. Meanwhile, ubiquitin-mediated proteolysis, brassinosteroids, and heat shock proteins also play a vital role in HTT. The effects of SHS and LHS on the mechanism of HTT to resist heat stress were relatively different. The findings may facilitate further studies on gene discovery and the molecular mechanisms underlying high-temperature tolerance in P. haitanensis, as well as allow improvement of breeding schemes for high temperature-tolerant macroalgae that can resist global warming.

Towards Molecular Dynamics Simulations of Chiral Room-Temperature Ionic Liquids

Czech Academy of Sciences Publication Activity Database

Lísal, Martin; Chval, Z.; Storch, Jan; Izák, Pavel

2014-01-01

Roč. 189, SI (2014), s. 85-94 ISSN 0167-7322 R&D Projects: GA ČR(CZ) GAP106/12/0569; GA MŠk LH12020 Institutional support: RVO:67985858 Keywords : chiral room-temperature ionic liquid * molecular dynamics simulation * non-polarizable fully flexible all-atom force field Subject RIV: CI - Industrial Chemistry, Chemical Engineering Impact factor: 2.515, year: 2014

High temperature materials

International Nuclear Information System (INIS)

2003-01-01

The aim of this workshop is to share the needs of high temperature and nuclear fuel materials for future nuclear systems, to take stock of the status of researches in this domain and to propose some cooperation works between the different research organisations. The future nuclear systems are the very high temperature (850 to 1200 deg. C) gas cooled reactors (GCR) and the molten salt reactors (MSR). These systems include not only the reactor but also the fabrication and reprocessing of the spent fuel. This document brings together the transparencies of 13 communications among the 25 given at the workshop: 1) characteristics and needs of future systems: specifications, materials and fuel needs for fast spectrum GCR and very high temperature GCR; 2) high temperature materials out of neutron flux: thermal barriers: materials, resistance, lifetimes; nickel-base metal alloys: status of knowledge, mechanical behaviour, possible applications; corrosion linked with the gas coolant: knowledge and problems to be solved; super-alloys for turbines: alloys for blades and discs; corrosion linked with MSR: knowledge and problems to be solved; 3) materials for reactor core structure: nuclear graphite and carbon; fuel assembly structure materials of the GCR with fast neutron spectrum: status of knowledge and ceramics and cermets needs; silicon carbide as fuel confinement material, study of irradiation induced defects; migration of fission products, I and Cs in SiC; 4) materials for hydrogen production: status of the knowledge and needs for the thermochemical cycle; 5) technologies: GCR components and the associated material needs: compact exchangers, pumps, turbines; MSR components: valves, exchangers, pumps. (J.S.)

Preparation of the Crosslinked Polyethersulfone Films by High Temperature Electron-Beam Irradiation

International Nuclear Information System (INIS)

Li, J.

2006-01-01

The aromatic polymers, mainly so called engineering plastics, were famed for the good stability under irradiation. However, high temperature irradiation of the aromatic polymers can result the crosslinked structure, due to the improved molecular mobility. Polyethersulfone (PES) is a wide used engineering plastic because of the high performance and high thermal stability. PES films were irradiated by electron-beam under nitrogen atmosphere above the glass transition temperature and then the covalently crosslinked PES (RX-PES) films were obtained. The irradiations were also performed at ambient temperature for comparison. The network structure formation of the RX-PES films was confirmed by the appearance of the gel, which were measured by soaking the irradiated PES films in the N,N-dimethylformamide (DMF) at room temperature. When the PES films were irradiated to 300 kGy, there was gel appeared. The gel percent increased with the increasing in the absorbed dose, and saturated when the absorbed dose exceeded 1200 kGy. However, there was no gel formed for the PES films irradiated at ambient temperature even to 2250 kGy. The G(S) and G(X) were calculated according to the Y-crosslinking mechanism. The results values are consistent in error range. G(S) of 0.10 and G(X) of 0.23 were obtained. As calculated, almost all the macromolecular radicals produced by chain scission were used for crosslinking. Also, the glass transition temperature of the RX-PES films increased with the increasing in the absorbed doses, while the glass transition temperature of the PES films irradiated at ambient temperature decreased with the increasing in the absorbed doses. The blending films of the PES with FEP or ETFE were prepared and the high temperature irradiation effects were also studies

Quantum electrodynamics at high temperature. 2

International Nuclear Information System (INIS)

Alvarez-Estrada, R.F.

1988-01-01

The photon sector of QED in d = 3 spatial dimensions is analyzed at high temperature thereby generalizing nontrivially a previous study for d = 1. The imaginary time formalism and an improved renormalized perturbation theory which incorporates second order Debye screening are used. General results are presented for the leading high temperature contributions to all renormalized connected photon Green's functions for fixed external momenta (much smaller than the temperature) to all orders in the improved perturbation theory. Those leading contributions are ultraviolet finite, infrared convergent and gauge invariant, and display an interesting form of dimensional reduction at high temperature. A new path integral representations is given for the high temperature partition function with an external photon source, which is shown to generate all leading high temperature Green's functions mentioned above, and, so, it displays neatly the kind of dimensional reduction which makes QED to become simpler at high temperature. This limiting partition function corresponds to an imaginary time dependent electron positron field interacting with an electromagnetic field at zero imaginary time, and it depends on the renormalized electron mass and electric charge, the second order contribution to the usual renormalization constant Z 3 and a new mass term, which is associated to the photon field with vanishing Lorentz index. The new mass term corresponds to a finite number of diagrams in the high temperature improved perturbation theory and carriers ultraviolet divergences which are compensated for by other contributions (so that the leading high temperature Green's functions referred to above are ultraviolet finite). The dominant high temperature contributions to the renormalized thermodynamic potential to all perturbative orders: i) are given in terms of the above leading high-temperature contributions to the photon Green's functions (except for a few diagrams of low order in the

High-temperature materials and structural ceramics

International Nuclear Information System (INIS)

1990-01-01

This report gives a survey of research work in the area of high-temperature materials and structural ceramics of the KFA (Juelich Nuclear Research Center). The following topics are treated: (1) For energy facilities: ODS materials for gas turbine blades and heat exchangers; assessment of the remaining life of main steam pipes, material characterization and material stress limits for First-Wall components; metallic and graphitic materials for high-temperature reactors. (2) For process engineering plants: composites for reformer tubes and cracking tubes; ceramic/ceramic joints and metal/ceramic and metal/metal joints; Composites and alloys for rolling bearing and sliding systems up to application temperatures of 1000deg C; high-temperature corrosion of metal and ceramic material; porous ceramic high-temperature filters and moulding coat-mix techniques; electrically conducting ceramic material (superconductors, fuel cells, solid electrolytes); high-temperature light sources (high-temperature chemistry); oil vapor engines with caramic components; ODS materials for components in diesel engines and vehicle gas turbines. (MM) [de

Passive Resistor Temperature Compensation for a High-Temperature Piezoresistive Pressure Sensor.

Science.gov (United States)

Yao, Zong; Liang, Ting; Jia, Pinggang; Hong, Yingping; Qi, Lei; Lei, Cheng; Zhang, Bin; Li, Wangwang; Zhang, Diya; Xiong, Jijun

2016-07-22

The main limitation of high-temperature piezoresistive pressure sensors is the variation of output voltage with operating temperature, which seriously reduces their measurement accuracy. This paper presents a passive resistor temperature compensation technique whose parameters are calculated using differential equations. Unlike traditional experiential arithmetic, the differential equations are independent of the parameter deviation among the piezoresistors of the microelectromechanical pressure sensor and the residual stress caused by the fabrication process or a mismatch in the thermal expansion coefficients. The differential equations are solved using calibration data from uncompensated high-temperature piezoresistive pressure sensors. Tests conducted on the calibrated equipment at various temperatures and pressures show that the passive resistor temperature compensation produces a remarkable effect. Additionally, a high-temperature signal-conditioning circuit is used to improve the output sensitivity of the sensor, which can be reduced by the temperature compensation. Compared to traditional experiential arithmetic, the proposed passive resistor temperature compensation technique exhibits less temperature drift and is expected to be highly applicable for pressure measurements in harsh environments with large temperature variations.

High temperature storage loop :

Energy Technology Data Exchange (ETDEWEB)

Gill, David Dennis; Kolb, William J.

2013-07-01

A three year plan for thermal energy storage (TES) research was created at Sandia National Laboratories in the spring of 2012. This plan included a strategic goal of providing test capability for Sandia and for the nation in which to evaluate high temperature storage (>650ÀC) technology. The plan was to scope, design, and build a flow loop that would be compatible with a multitude of high temperature heat transfer/storage fluids. The High Temperature Storage Loop (HTSL) would be reconfigurable so that it was useful for not only storage testing, but also for high temperature receiver testing and high efficiency power cycle testing as well. In that way, HTSL was part of a much larger strategy for Sandia to provide a research and testing platform that would be integral for the evaluation of individual technologies funded under the SunShot program. DOEs SunShot program seeks to reduce the price of solar technologies to 6/kWhr to be cost competitive with carbon-based fuels. The HTSL project sought to provide evaluation capability for these SunShot supported technologies. This report includes the scoping, design, and budgetary costing aspects of this effort

Influence of Molecular Shape on Molecular Orientation and Stability of Vapor-Deposited Organic Semiconductors

Science.gov (United States)

Walters, Diane M.; Johnson, Noah D.; Ediger, M. D.

Physical vapor deposition is commonly used to prepare active layers in organic electronics. Recently, it has been shown that molecular orientation and packing can be tuned by changing the substrate temperature during deposition, while still producing macroscopically homogeneous films. These amorphous materials can be highly anisotropic when prepared with low substrate temperatures, and they can exhibit exceptional kinetic stability; films retain their favorable packing when heated to high temperatures. Here, we study the influence of molecular shape on molecular orientation and stability. We investigate disc-shaped molecules, such as TCTA and m-MTDATA, nearly spherical molecules, such as Alq3, and linear molecules covering a broad range of aspect ratios, such as p-TTP and BSB-Cz. Disc-shaped molecules have preferential horizontal orientation when deposited at low substrate temperatures, and their orientation can be tuned by changing the substrate temperature. Alq3 forms stable, amorphous films that are optically isotropic when vapor deposited over a broad range of substrate temperatures. This work may guide the choice of material and deposition conditions for vapor-deposited films used in organic electronics and allow for more efficient devices to be fabricated.

Microstructural Evolution and Mechanical Behavior of High Temperature Solders: Effects of High Temperature Aging

Science.gov (United States)

Hasnine, M.; Tolla, B.; Vahora, N.

2018-04-01

This paper explores the effects of aging on the mechanical behavior, microstructure evolution and IMC formation on different surface finishes of two high temperature solders, Sn-5 wt.% Ag and Sn-5 wt.% Sb. High temperature aging showed significant degradation of Sn-5 wt.% Ag solder hardness (34%) while aging has little effect on Sn-5 wt.% Sb solder. Sn-5 wt.% Ag experienced rapid grain growth as well as the coarsening of particles during aging. Sn-5 wt.% Sb showed a stable microstructure due to solid solution strengthening and the stable nature of SnSb precipitates. The increase of intermetallic compound (IMC) thickness during aging follows a parabolic relationship with time. Regression analysis (time exponent, n) indicated that IMC growth kinetics is controlled by a diffusion mechanism. The results have important implications in the selection of high temperature solders used in high temperature applications.

High sensitivity optical molecular imaging system

Science.gov (United States)

An, Yu; Yuan, Gao; Huang, Chao; Jiang, Shixin; Zhang, Peng; Wang, Kun; Tian, Jie

2018-02-01

Optical Molecular Imaging (OMI) has the advantages of high sensitivity, low cost and ease of use. By labeling the regions of interest with fluorescent or bioluminescence probes, OMI can noninvasively obtain the distribution of the probes in vivo, which play the key role in cancer research, pharmacokinetics and other biological studies. In preclinical and clinical application, the image depth, resolution and sensitivity are the key factors for researchers to use OMI. In this paper, we report a high sensitivity optical molecular imaging system developed by our group, which can improve the imaging depth in phantom to nearly 5cm, high resolution at 2cm depth, and high image sensitivity. To validate the performance of the system, special designed phantom experiments and weak light detection experiment were implemented. The results shows that cooperated with high performance electron-multiplying charge coupled device (EMCCD) camera, precision design of light path system and high efficient image techniques, our OMI system can simultaneously collect the light-emitted signals generated by fluorescence molecular imaging, bioluminescence imaging, Cherenkov luminance and other optical imaging modality, and observe the internal distribution of light-emitting agents fast and accurately.

Probing the energy landscape of alanine dipeptide and decalanine using temperature as a tunable parameter in molecular dynamics

International Nuclear Information System (INIS)

Chatterjee, A; Bhattacharya, S

2016-01-01

We perform several molecular dynamics (MD) calculations of solvated alanine dipeptide and decalanine in vacuum with temperature as a tunable parameter and in the process, generate Markov state models (MSMs) at each temperature. An interesting observation that the kinetic rates appear to obey the Arrhenius rate law allows us to predict the dynamics of alanine dipeptide at 300 K at the microsecond timescales using the nanoseconds long high temperature calculations without actually performing MD simulations at 300 K. We conclude that the energy landscape of alanine dipeptide contains superbasins deeper than k B T and determine the energy barriers associated with the moves from the Arrhenius rate expression. Similar insights regarding the energy landscape associated with folding/unfolding pathways of a deca-alanine molecule are obtained using kinetic rates calculated at different temperatures. (paper)

Raman spectroscopy on simple molecular systems at very high density

International Nuclear Information System (INIS)

Schiferl, D.; LeSar, R.S.; Moore, D.S.

1988-01-01

We present an overview of how Raman spectroscopy is done on simple molecular substances at high pressures. Raman spectroscopy is one of the most powerful tools for studying these substances. It is often the quickest means to explore changes in crystal and molecular structures, changes in bond strength, and the formation of new chemical species. Raman measurements have been made at pressures up to 200 GPa (2 Mbar). Even more astonishing is the range of temperatures (4-5200/degree/K) achieved in various static and dynamic (shock-wave) pressure experiments. One point we particularly wish to emphasize is the need for a good theoretical understanding to properly interpret and use experimental results. This is particularly true at ultra-high pressures, where strong crystal field effects can be misinterpreted as incipient insulator-metal transitions. We have tried to point out apparatus, techniques, and results that we feel are particularly noteworthy. We have also included some of the /open quotes/oral tradition/close quotes/ of high pressure Raman spectroscopy -- useful little things that rarely or never appear in print. Because this field is rapidly expanding, we discuss a number of exciting new techniques that have been informally communicated to us, especially those that seem to open new possibilities. 58 refs., 18 figs

High Temperature end of the socalled "Koga-line"

DEFF Research Database (Denmark)

Koga, Yoshikata; Westh, Peter; Atake, Tooru

2009-01-01

The so-called "Koga line" is a collection of the loci of anomalies in various third derivatives of the Gibbs function, G, in the temperature-mole fraction field for aqueous solutions of nonelectrolytes. This splits the H2O-rich region into two, in each of which the molecular organization and inte......The so-called "Koga line" is a collection of the loci of anomalies in various third derivatives of the Gibbs function, G, in the temperature-mole fraction field for aqueous solutions of nonelectrolytes. This splits the H2O-rich region into two, in each of which the molecular organization...... quantities from the former data showed step-type anomalies, while those from the latter negative peak-type anomalies. The loci of these anomalous points seem to point to about 70 degrees C at infinite dilution....

High-Sensitivity Temperature-Independent Silicon Photonic Microfluidic Biosensors

Science.gov (United States)

Kim, Kangbaek

Optical biosensors that can precisely quantify the presence of specific molecular species in real time without the need for labeling have seen increased use in the drug discovery industry and molecular biology in general. Of the many possible optical biosensors, the TM mode Si biosensor is shown to be very attractive in the sensing application because of large field amplitude on the surface and cost effective CMOS VLSI fabrication. Noise is the most fundamental factor that limits the performance of sensors in development of high-sensitivity biosensors, and noise reduction techniques require precise studies and analysis. One such example stems from thermal fluctuations. Generally SOI biosensors are vulnerable to ambient temperature fluctuations because of large thermo-optic coefficient of silicon (˜2x10 -4 RIU/K), typically requiring another reference ring and readout sequence to compensate temperature induced noise. To address this problem, we designed sensors with a novel TM-mode shallow-ridge waveguide that provides both large surface amplitude for bulk and surface sensing. With proper design, this also provides large optical confinement in the aqueous cladding that renders the device athermal using the negative thermo-optic coefficient of water (~ --1x10-4RIU/K), demonstrating cancellation of thermo-optic effects for aqueous solution operation near 300K. Additional limitations resulting from mechanical actuator fluctuations, stability of tunable lasers, and large 1/f noise of lasers and sensor electronics can limit biosensor performance. Here we also present a simple harmonic feedback readout technique that obviates the need for spectrometers and tunable lasers. This feedback technique reduces the impact of 1/f noise to enable high-sensitivity, and a DSP lock-in with 256 kHz sampling rate can provide down to micros time scale monitoring for fast transitions in biomolecular concentration with potential for small volume and low cost. In this dissertation, a novel

Reorientational dynamics in molecular liquids as revealed by dynamic light scattering: from boiling point to glass transition temperature.

Science.gov (United States)

Schmidtke, B; Petzold, N; Kahlau, R; Rössler, E A

2013-08-28

We determine the reorientational correlation time τ of a series of molecular liquids by performing depolarized light scattering experiments (double monochromator, Fabry-Perot interferometry, and photon correlation spectroscopy). Correlation times in the range 10(-12) s-100 s are compiled, i.e., the full temperature interval between the boiling point and the glass transition temperature T(g) is covered. We focus on low-T(g) liquids for which the high-temperature limit τ ≅ 10(-12) s is easily accessed by standard spectroscopic equipment (up to 440 K). Regarding the temperature dependence three interpolation formulae of τ(T) with three parameters each are tested: (i) Vogel-Fulcher-Tammann equation, (ii) the approach recently discussed by Mauro et al. [Proc. Natl. Acad. Sci. U.S.A. 106, 19780 (2009)], and (iii) our approach decomposing the activation energy E(T) in a constant high temperature value E∞ and a "cooperative part" E(coop)(T) depending exponentially on temperature [Schmidtke et al., Phys. Rev. E 86, 041507 (2012)]. On the basis of the present data, approaches (i) and (ii) are insufficient as they do not provide the correct crossover to the high-temperature Arrhenius law clearly identified in the experimental data while approach (iii) reproduces the salient features of τ(T). It allows to discuss the temperature dependence of the liquid's dynamics in terms of a E(coop)(T)/E∞ vs. T/E∞ plot and suggests that E∞ controls the energy scale of the glass transition phenomenon.

Sandia_HighTemperatureComponentEvaluation_2015

Energy Technology Data Exchange (ETDEWEB)

Cashion, Avery T. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)

2015-03-01

The objective of this project is to perform independent evaluation of high temperature components to determine their suitability for use in high temperature geothermal tools. Development of high temperature components has been increasing rapidly due to demand from the high temperature oil and gas exploration and aerospace industries. Many of these new components are at the late prototype or first production stage of development and could benefit from third party evaluation of functionality and lifetime at elevated temperatures. In addition to independent testing of new components, this project recognizes that there is a paucity of commercial-off-the-shelf COTS components rated for geothermal temperatures. As such, high-temperature circuit designers often must dedicate considerable time and resources to determine if a component exists that they may be able to knead performance out of to meet their requirements. This project aids tool developers by characterization of select COTS component performances beyond published temperature specifications. The process for selecting components includes public announcements of project intent (e.g., FedBizOps), direct discussions with candidate manufacturers,and coordination with other DOE funded programs.

High Temperature, High Power Piezoelectric Composite Transducers

Science.gov (United States)

Lee, Hyeong Jae; Zhang, Shujun; Bar-Cohen, Yoseph; Sherrit, StewarT.

2014-01-01

Piezoelectric composites are a class of functional materials consisting of piezoelectric active materials and non-piezoelectric passive polymers, mechanically attached together to form different connectivities. These composites have several advantages compared to conventional piezoelectric ceramics and polymers, including improved electromechanical properties, mechanical flexibility and the ability to tailor properties by using several different connectivity patterns. These advantages have led to the improvement of overall transducer performance, such as transducer sensitivity and bandwidth, resulting in rapid implementation of piezoelectric composites in medical imaging ultrasounds and other acoustic transducers. Recently, new piezoelectric composite transducers have been developed with optimized composite components that have improved thermal stability and mechanical quality factors, making them promising candidates for high temperature, high power transducer applications, such as therapeutic ultrasound, high power ultrasonic wirebonding, high temperature non-destructive testing, and downhole energy harvesting. This paper will present recent developments of piezoelectric composite technology for high temperature and high power applications. The concerns and limitations of using piezoelectric composites will also be discussed, and the expected future research directions will be outlined. PMID:25111242

High-temperature superconductivity

International Nuclear Information System (INIS)

Ginzburg, V.L.

1987-07-01

After a short account of the history of experimental studies on superconductivity, the microscopic theory of superconductivity, the calculation of the control temperature and its possible maximum value are presented. An explanation of the mechanism of superconductivity in recently discovered superconducting metal oxide ceramics and the perspectives for the realization of new high-temperature superconducting materials are discussed. 56 refs, 2 figs, 3 tabs

Improved synthesis with high yield and increased molecular weight of poly(alpha,beta-malic acid) by direct polycondensation.

Science.gov (United States)

Kajiyama, Tetsuto; Kobayashi, Hisatoshi; Taguchi, Tetsushi; Kataoka, Kazunori; Tanaka, Junzo

2004-01-01

The development of synthetic biodegradable polymers, such as poly(alpha-hydroxy acid), is particularly important for constructing medical devices, including scaffolds and sutures, and has attracted growing interest in the biomedical field. Here, we report a novel approach to preparing high molecular weight poly(malic acid) (HMW--PMA) as a biodegradable and bioabsorbable water-soluble polymer. We investigated in detail the reaction conditions for the simple direct polycondensation of l-malic acid, including the reaction times, temperatures, and catalysts. The molecular weight of synthesized alpha,beta-PMA is dependent on both the reaction temperature and time. The optimum reaction condition to obtain alpha,beta-PMA by direct polycondensation using tin(II) chloride as a catalyst was thus determined to be 110 degrees C for 45 h with a molecular weight of 5300. The method for alpha,beta-PMA synthesis established here will facilitate production of alpha,beta-PMA of various molecular weights, which may have a potential utility as biomaterials.

High-temperature fabrication of Ag(In,Ga)Se{sub 2} thin films for applications in solar cells

Energy Technology Data Exchange (ETDEWEB)

Zhang, Xianfeng [International Center for Science and Engineering Programs, Waseda University, Tokyo (Japan); Yamada, Akira [Department of Physical Electronics, Tokyo Institute of Technology, Tokyo (Japan); Kobayashi, Masakazu [Department of Electrical Engineering and Bioscience, Waseda University, Tokyo (Japan); Kagami Memorial Research Institute for Materials Science, Waseda University, Tokyo (Japan)

2017-10-15

Molecular beam epitaxy was used to fabricate Ag(In,Ga)Se{sub 2} (AIGS) thin films. To improve the diffusion of Ag, high-temperature deposition and high-temperature annealing methods were applied to fabricate AIGS films. The as-grown AIGS thin films were then used to make AIGS solar cells. We found that grain size and crystallinity of AIGS films were considerably improved by increasing the deposition and annealing temperature. For high-temperature deposition, temperatures over 600 C led to decomposition of the AIGS film, desorption of In, and deterioration of its crystallinity. The most appropriate deposition temperature was 590 C and a solar cell with a power conversion efficiency of 4.1% was obtained. High-temperature annealing of the AIGS thin films showed improved crystallinity as annealing temperature was increased and film decomposition and In desorption were prevented. A solar cell based on this film showed the highest conversion efficiency of 6.4% when annealed at 600 C. When the annealing temperature was further increased to 610 C, the performance of the cell deteriorated due to loss of the out-of-plane Ga gradient. (copyright 2017 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim)

High-temperature peridotites - lithospheric or asthenospheric?

International Nuclear Information System (INIS)

Hops, J.J.; Gurney, J.J.

1990-01-01

High-temperature peridotites by definition yield equilibration temperatures greater than 1100 degrees C. On the basis of temperature and pressure calculations, these high-temperature peridotites are amongst the deepest samples entrained by kimberlites on route to the surface. Conflicting models proposing either a lithospheric or asthenospheric origin for the high-temperature peridotites have been suggested. A detailed study of these xenoliths from a single locality, the Jagersfontein kimberlite in the Orange Free State, has been completed as a means of resolving this controversy. 10 refs., 2 figs

Accompanying growth and room-temperature ferromagnetism of η-Mn3N2 thin films by molecular beam epitaxy

International Nuclear Information System (INIS)

Yu, Fengmei; Liu, Yajing; Yang, Mei; Wu, Shuxiang; Zhou, Wenqi; Li, Shuwei

2013-01-01

η-phase manganese nitride films have been grown on LaAlO 3 (100) and LaSrAlO 4 (001) substrates by using plasma-assisted molecular beam epitaxy. On the basis of reflective high energy electron diffraction, X-ray diffraction, and X-ray photoemission spectroscopy, it is confirmed that two types of η-Mn 3 N 2 with different lattice constants coexist in the films due to the lattice mismatches between the Mn 3 N 2 films and the substrates. Magnetic properties of the films were characterized by a superconducting quantum interference device magnetometer at room temperature. The Mn 3 N 2 films on LaAlO 3 substrate were found to have room-temperature ferromagnetism. Two potential interaction mechanisms are proposed regarding the origin of the observed ferromagnetism. - Highlights: ► The films of two types of η-Mn 3 N 2 have been grown by molecular beam epitaxy. ► Mn 3 N 2 A and Mn 3 N 2 B coexisted in the films on LaAlO 3 and LaSrAlO 4 . ► The room-temperature ferromagnetism of the Mn 3 N 2 films on LaAlO 3 was obtained

High-fluence hyperthermal ion irradiation of gallium nitride surfaces at elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Finzel, A.; Gerlach, J.W., E-mail: juergen.gerlach@iom-leipzig.de; Lorbeer, J.; Frost, F.; Rauschenbach, B.

2014-10-30

Highlights: • Irradiation of gallium nitride films with hyperthermal nitrogen ions. • Surface roughening at elevated sample temperatures was observed. • No thermal decomposition of gallium nitride films during irradiation. • Asymmetric surface diffusion processes cause local roughening. - Abstract: Wurtzitic GaN films deposited on 6H-SiC(0001) substrates by ion-beam assisted molecular-beam epitaxy were irradiated with hyperthermal nitrogen ions with different fluences at different substrate temperatures. In situ observations with reflection high energy electron diffraction showed that during the irradiation process the surface structure of the GaN films changed from two dimensional to three dimensional at elevated temperatures, but not at room temperature. Atomic force microscopy revealed an enhancement of nanometric holes and canyons upon the ion irradiation at higher temperatures. The roughness of the irradiated and heated GaN films was clearly increased by the ion irradiation in accordance with x-ray reflectivity measurements. A sole thermal decomposition of the films at the chosen temperatures could be excluded. The results are discussed taking into account temperature dependent sputtering and surface uphill adatom diffusion as a function of temperature.

High temperature corrosion of metals

International Nuclear Information System (INIS)

Quadakkers, W.J.; Schuster, H.; Ennis, P.J.

1988-08-01

This paper covers three main topics: 1. high temperature oxidation of metals and alloys, 2. corrosion in sulfur containing environments and 3. structural changes caused by corrosion. The following 21 subjects are discussed: Influence of implanted yttrium and lanthanum on the oxidation behaviour of beta-NiA1; influence of reactive elements on the adherence and protective properties of alumina scales; problems related to the application of very fine markers in studying the mechanism of thin scale formation; oxidation behaviour of chromia forming Co-Cr-Al alloys with or without reactive element additions; growth and properties of chromia-scales on high-temperature alloys; quantification of the depletion zone in high temperature alloys after oxidation in process gas; effects of HC1 and of N2 in the oxidation of Fe-20Cr; investigation under nuclear safety aspects of Zircaloy-4 oxidation kinetics at high temperatures in air; on the sulfide corrosion of metallic materials; high temperature sulfide corrosion of Mn, Nb and Nb-Si alloys; corrosion behaviour or NiCrAl-based alloys in air and air-SO2 gas mixtures; sulfidation of cobalt at high temperatures; preoxidation for sulfidation protection; fireside corrosion and application of additives in electric utility boilers; transport properties of scales with complex defect structures; observations of whiskers and pyramids during high temperature corrosion of iron in SO2; corrosion and creep of alloy 800H under simulated coal gasification conditions; microstructural changes of HK 40 cast alloy caused by exploitation in tubes in steam reformer installation; microstructural changes during exposure in corrosive environments and their effect on mechanical properties; coatings against carburization; mathematical modeling of carbon diffusion and carbide precipitation in Ni-Cr-based alloys. (MM)

Exploring the Phase Diagram SiO2-CO2 at High Pressures and Temperatures

Science.gov (United States)

Kavner, A.

2015-12-01

CO2 is an important volatile system relevant for planetary sciences and fundamental chemistry. Molecular CO2 has doubly bonded O=C=O units but high pressure-high temperature (HP-HT) studies have recently shown its transformation into a three-dimensional network of corner-linked [CO4] units analogous to the silica mineral polymorphs, through intermediate non-molecular phases. Here, we report P-V-T data on CO2-IV ice from time-of-flight neutron diffraction experiments, which allow determining the compressibility and thermal expansivity of this intermediate molecular-to-non-molecular phase.1 Aditionally, we have explored the SiO2-CO2 phase diagram and the potential formation of silicon carbonate compounds. New data obtained by laser-heating diamond-anvil experiments in CO2-filled microporous silica polymorphs will be shown. In particular, these HP-HT experiments explore the existence of potential CO2/SiO2 compounds with tetrahedrally-coordinated C/Si atoms by oxygens, which are predicted to be stable (or metastable) by state-of-the-art ab initio simulations.2,3 These theoretical predictions were supported by a recent study that reports the formation of a cristobalite-type Si0.4C0.6O2 solid solution at high-pressures and temperatures, which can be retained as a metastable solid down to ambient conditions.4 Entirely new families of structures could exist based on [CO4]4- units in various degrees of polymerisation, giving rise to a range of chain, sheet and framework solids like those found in silicate chemistry. References[1] S. Palaich et al., Am. Mineral. Submitted (2015) [2] A. Morales-Garcia et al., Theor. Chem. Acc. 132, 1308 (2013) [3] R. Zhou et al., Phys. Rev. X, 4, 011030 (2014) [4] M. Santoro et al. Nature Commun. 5, 3761 (2014)

High-temperature granulites and supercontinents

Directory of Open Access Journals (Sweden)

J.L.R. Touret

2016-01-01

Full Text Available The formation of continents involves a combination of magmatic and metamorphic processes. These processes become indistinguishable at the crust-mantle interface, where the pressure-temperature (P-T conditions of (ultra high-temperature granulites and magmatic rocks are similar. Continents grow laterally, by magmatic activity above oceanic subduction zones (high-pressure metamorphic setting, and vertically by accumulation of mantle-derived magmas at the base of the crust (high-temperature metamorphic setting. Both events are separated from each other in time; the vertical accretion postdating lateral growth by several tens of millions of years. Fluid inclusion data indicate that during the high-temperature metamorphic episode the granulite lower crust is invaded by large amounts of low H2O-activity fluids including high-density CO2 and concentrated saline solutions (brines. These fluids are expelled from the lower crust to higher crustal levels at the end of the high-grade metamorphic event. The final amalgamation of supercontinents corresponds to episodes of ultra-high temperature metamorphism involving large-scale accumulation of these low-water activity fluids in the lower crust. This accumulation causes tectonic instability, which together with the heat input from the sub-continental lithospheric mantle, leads to the disruption of supercontinents. Thus, the fragmentation of a supercontinent is already programmed at the time of its amalgamation.

Advanced High Temperature Structural Seals

Science.gov (United States)

Newquist, Charles W.; Verzemnieks, Juris; Keller, Peter C.; Rorabaugh, Michael; Shorey, Mark

2002-10-01

This program addresses the development of high temperature structural seals for control surfaces for a new generation of small reusable launch vehicles. Successful development will contribute significantly to the mission goal of reducing launch cost for small, 200 to 300 pound payloads. Development of high temperature seals is mission enabling. For instance, ineffective control surface seals can result in high temperature (3100 F) flows in the elevon area exceeding structural material limits. Longer sealing life will allow use for many missions before replacement, contributing to the reduction of hardware, operation and launch costs.

High temperature materials; Materiaux a hautes temperatures

Energy Technology Data Exchange (ETDEWEB)

NONE

2003-07-01

The aim of this workshop is to share the needs of high temperature and nuclear fuel materials for future nuclear systems, to take stock of the status of researches in this domain and to propose some cooperation works between the different research organisations. The future nuclear systems are the very high temperature (850 to 1200 deg. C) gas cooled reactors (GCR) and the molten salt reactors (MSR). These systems include not only the reactor but also the fabrication and reprocessing of the spent fuel. This document brings together the transparencies of 13 communications among the 25 given at the workshop: 1) characteristics and needs of future systems: specifications, materials and fuel needs for fast spectrum GCR and very high temperature GCR; 2) high temperature materials out of neutron flux: thermal barriers: materials, resistance, lifetimes; nickel-base metal alloys: status of knowledge, mechanical behaviour, possible applications; corrosion linked with the gas coolant: knowledge and problems to be solved; super-alloys for turbines: alloys for blades and discs; corrosion linked with MSR: knowledge and problems to be solved; 3) materials for reactor core structure: nuclear graphite and carbon; fuel assembly structure materials of the GCR with fast neutron spectrum: status of knowledge and ceramics and cermets needs; silicon carbide as fuel confinement material, study of irradiation induced defects; migration of fission products, I and Cs in SiC; 4) materials for hydrogen production: status of the knowledge and needs for the thermochemical cycle; 5) technologies: GCR components and the associated material needs: compact exchangers, pumps, turbines; MSR components: valves, exchangers, pumps. (J.S.)

Diffusion-driven growth of nanowires by low-temperature molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Rueda-Fonseca, P.; Orrù, M. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CNRS, Institut NEEL, F-38000 Grenoble (France); CEA, INAC, F-38000 Grenoble (France); Bellet-Amalric, E.; Robin, E. [Univ. Grenoble Alpes, F-38000 Grenoble (France); CEA, INAC, F-38000 Grenoble (France); Den Hertog, M.; Genuist, Y.; André, R.; Tatarenko, S.; Cibert, J., E-mail: joel.cibert@neel.cnrs.fr [Univ. Grenoble Alpes, F-38000 Grenoble (France); CNRS, Institut NEEL, F-38000 Grenoble (France)

2016-04-28

With ZnTe as an example, we use two different methods to unravel the characteristics of the growth of nanowires (NWs) by gold-catalyzed molecular beam epitaxy at low temperature. In the first approach, CdTe insertions have been used as markers, and the nanowires have been characterized by scanning transmission electron microscopy, including geometrical phase analysis and energy dispersive electron spectrometry; the second approach uses scanning electron microscopy and the statistics of the relationship between the length of the tapered nanowires and their base diameter. Axial and radial growth are quantified using a diffusion-limited model adapted to the growth conditions; analytical expressions describe well the relationship between the NW length and the total molecular flux (taking into account the orientation of the effusion cells), and the catalyst-nanowire contact area. A long incubation time is observed. This analysis allows us to assess the evolution of the diffusion lengths on the substrate and along the nanowire sidewalls, as a function of temperature and deviation from stoichiometric flux.

Controlling the Molecular Weight of Lignosulfonates by an Alkaline Oxidative Treatment at Moderate Temperatures and Atmospheric Pressure: A Size-Exclusion and Reverse-Phase Chromatography Study

Directory of Open Access Journals (Sweden)

Chamseddine Guizani

2017-11-01

Full Text Available The molecular weights of lignosulfonates (LSs are modified by a rather simple process involving an alkaline oxidative treatment at moderate temperatures (70–90 °C and atmospheric pressure. Starting from LSs with an average molecular weight of 90,000 Da, and using such a treatment, one can prepare controlled molecular weight LSs in the range of 30,000 to 3500 Da based on the average mass molecular weight. The LS depolymerisation was monitored via reverse-phase and size-exclusion chromatography. It has been shown that the combination of O2, H2O2 and Cu as a catalyst in alkaline conditions at 80 °C induces a high LS depolymerisation. The depolymerisation was systemically accompanied by a vanillin production, the yields of which reached 1.4 wt % (weight percentage on LS raw basis in such conditions. Also, the average molecular weight and vanillin concentration were correlated and depended linearly on the temperature and reaction duration.

Scale hierarchy in high-temperature QCD

CERN Document Server

Akerlund, Oscar

2013-01-01

Because of asymptotic freedom, QCD becomes weakly interacting at high temperature: this is the reason for the transition to a deconfined phase in Yang-Mills theory at temperature $T_c$. At high temperature $T \\gg T_c$, the smallness of the running coupling $g$ induces a hierachy betwen the "hard", "soft" and "ultrasoft" energy scales $T$, $g T$ and $g^2 T$. This hierarchy allows for a very successful effective treatment where the "hard" and the "soft" modes are successively integrated out. However, it is not clear how high a temperature is necessary to achieve such a scale hierarchy. By numerical simulations, we show that the required temperatures are extremely high. Thus, the quantitative success of the effective theory down to temperatures of a few $T_c$ appears surprising a posteriori.

Advances in high temperature chemistry 1

CERN Document Server

Eyring, Leroy

2013-01-01

Advances in High Temperature Chemistry, Volume 1 describes the complexities and special and changing characteristics of high temperature chemistry. After providing a brief definition of high temperature chemistry, this nine-chapter book goes on describing the experiments and calculations of diatomic transition metal molecules, as well as the advances in applied wave mechanics that may contribute to an understanding of the bonding, structure, and spectra of the molecules of high temperature interest. The next chapter provides a summary of gaseous ternary compounds of the alkali metals used in

Molecular Design of Soluble Biopolyimide with High Rigidity

Directory of Open Access Journals (Sweden)

Sumant Dwivedi

2018-03-01

Full Text Available New soluble biopolyimides were prepared from a diamine derived from an exotic amino acid (4-aminocinnamic acid with several kinds of tetracarboxylic dianhydride. The biopolyimide molecular structural flexibility was tailored by modifying the tetracarboxylic dianhydride moiety. The obtained polyimides were soluble in various solvents such as N-methyl-2-pyrrolidone, N,N-dimethylacetamide, N,N-dimethylformamide, dimethyl sulfoxide, and even tetrahydrofuran. It was observed that the biopolyimide solubility was greatly dependent upon the structural flexibility (torsion energy. Flexible structure facilitated greater solubility. The synthesized biopolyimides were largely amorphous and had number-average molecular weight (Mn in the range (5–8 × 105. The glass transition temperatures (Tg of the polymers ranged from 259–294 °C. These polymers exhibited good thermal stability without significant weight loss up to 410 °C. The temperatures at 10% weight loss (Td10 for synthesized biopolyimide ranged from 375–397 °C.

Dynamic High Pressure Study of Chemistry and Physics of Molecular Materials

Science.gov (United States)

Jezowski, Sebastian Ryszard

Both temperature and pressure control and influence the packing of molecules in crystalline phases. Our molecular simulations indicate that at ambient pressure, the cubic polymorph of tetracyanoethylene, TCNE, is the energetically stable form up to ˜ 160 K. The observed transition from the cubic to the monoclinic polymorph occurs however only at temperatures above ˜ 318 K due to the large transition barrier. The temperature-induced phase transition in TCNE studied with high-resolution IR spectroscopy is explained in terms of the increased vibrational entropy in the crystals of the monoclinic polymorph. Based upon the inverted design of the Merril-Bassett Diamond Anvil Cell, an improved, second generation dynamic Diamond Anvil Cell was developed. Based on the fluorescence of ruby crystals, we were able to demonstrate that the pressure variation range can be further increased at least up to 7 kbar and that the dynamic pressure compression of up to 1400 GPa/s can be achieved. A new class of mechanophoric system, bis-anthracene, BA, and its photoisomer, PI, is shown to respond reversibly to a mild, static pressure induced by a Diamond Anvil Cell as well as to shear deformation based on absorption spectroscopic measurements. The forward reaction occurs upon illumination with light while the back-reaction may be accelerated upon heating or mechanical stress, coupled to a rehybridization on four equivalent carbon atoms. It is an intriguing result as high pressure stabilizes the photodimerized species in related systems. Our molecular volume simulations ruled out significant differences in the volumes between bis-anthracene and its photoisomer. Kinetic absorption measurements at several different pressures reveal a negative volume of activation in the exothermic back-reaction at room temperature. Through a series of temperature-dependent kinetic measurements it is shown that the barrier of activation for the back-reaction is reduced by more than an order of magnitude at

Deep Trek High Temperature Electronics Project

Energy Technology Data Exchange (ETDEWEB)

Bruce Ohme

2007-07-31

This report summarizes technical progress achieved during the cooperative research agreement between Honeywell and U.S. Department of Energy to develop high-temperature electronics. Objects of this development included Silicon-on-Insulator (SOI) wafer process development for high temperature, supporting design tools and libraries, and high temperature integrated circuit component development including FPGA, EEPROM, high-resolution A-to-D converter, and a precision amplifier.

Preliminary Guideline for the High Temperature Structure Integrity Assessment Procedure Part II. High Temperature Structural Integrity Assessment

Energy Technology Data Exchange (ETDEWEB)

Lee, Jae Han; Kim, J. B.; Lee, H. Y.; Park, C. G.; Joo, Y. S.; Koo, G. H.; Kim, S. H

2007-02-15

A high temperature structural integrity assessment belongs to the Part II of a whole preliminary guideline for the high temperature structure. The main contents of this guideline are the evaluation procedures of the creep-fatigue crack initiation and growth in high temperature condition, the high temperature LBB evaluation procedure, and the inelastic evaluations of the welded joints in SFR structures. The methodologies for the proper inelastic analysis of an SFR structures in high temperatures are explained and the guidelines of inelastic analysis options using ANSYS and ABAQUS are suggested. In addition, user guidelines for the developed NONSTA code are included. This guidelines need to be continuously revised to improve the applicability to the design and analysis of the SFR structures.

High temperature thermometric phosphors

Science.gov (United States)

Allison, Stephen W.; Cates, Michael R.; Boatner, Lynn A.; Gillies, George T.

1999-03-23

A high temperature phosphor consists essentially of a material having the general formula LuPO.sub.4 :Dy.sub.(x),Eu.sub.y) wherein: 0.1 wt %.ltoreq.x.ltoreq.20 wt % and 0.1 wt %.ltoreq.y.ltoreq.20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopent. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions.

Nano-nitride cathode catalysts of Ti, Ta, and Nb for polymer electrolyte fuel cells: Temperature-programmed desorption investigation of molecularly adsorbed oxygen at low temperature

KAUST Repository

Ohnishi, Ryohji

2013-01-10

TiN, NbN, TaN, and Ta3N5 nanoparticles synthesized using mesoporous graphitic (mpg)-C3N4 templates were investigated for the oxygen reduction reaction (ORR) as cathode catalysts for polymer electrolyte fuel cells. The temperature-programmed desorption (TPD) of molecularly adsorbed O2 at 120-170 K from these nanoparticles was examined, and the resulting amount and temperature of desorption were key factors determining the ORR activity. The size-dependent TiN nanoparticles (5-8 and 100 nm) were then examined. With decreasing particle size, the density of molecularly adsorbed O2 per unit of surface area increased, indicating that a decrease in particle size increases the number of active sites. It is hard to determine the electrochemical active surface area for nonmetal electrocatalysts (such as oxides or nitrides), because of the absence of proton adsorption/desorption peaks in the voltammograms. In this study, O2-TPD for molecularly adsorbed O2 at low temperature demonstrated that the amount and strength of adsorbed O2 were key factors determining the ORR activity. The properties of molecularly adsorbed O2 on cathode catalysts are discussed against the ORR activity. © 2012 American Chemical Society.

High temperature pipeline design

Energy Technology Data Exchange (ETDEWEB)

Greenslade, J.G. [Colt Engineering, Calgary, AB (Canada). Pipelines Dept.; Nixon, J.F. [Nixon Geotech Ltd., Calgary, AB (Canada); Dyck, D.W. [Stress Tech Engineering Inc., Calgary, AB (Canada)

2004-07-01

It is impractical to transport bitumen and heavy oil by pipelines at ambient temperature unless diluents are added to reduce the viscosity. A diluted bitumen pipeline is commonly referred to as a dilbit pipeline. The diluent routinely used is natural gas condensate. Since natural gas condensate is limited in supply, it must be recovered and reused at high cost. This paper presented an alternative to the use of diluent to reduce the viscosity of heavy oil or bitumen. The following two basic design issues for a hot bitumen (hotbit) pipeline were presented: (1) modelling the restart problem, and, (2) establishing the maximum practical operating temperature. The transient behaviour during restart of a high temperature pipeline carrying viscous fluids was modelled using the concept of flow capacity. Although the design conditions were hypothetical, they could be encountered in the Athabasca oilsands. It was shown that environmental disturbances occur when the fluid is cooled during shut down because the ground temperature near the pipeline rises. This can change growing conditions, even near deeply buried insulated pipelines. Axial thermal loads also constrain the design and operation of a buried pipeline as higher operating temperatures are considered. As such, strain based design provides the opportunity to design for higher operating temperature than allowable stress based design methods. Expansion loops can partially relieve the thermal stress at a given temperature. As the design temperature increase, there is a point at which above grade pipelines become attractive options, although the materials and welding procedures must be suitable for low temperature service. 3 refs., 1 tab., 10 figs.

Nanostructure formation during relatively high temperature growth of Mn-doped GaAs by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Del Río-De Santiago, A.; Méndez-García, V.H. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Martínez-Velis, I.; Casallas-Moreno, Y.L. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); López-Luna, E. [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico); Yu Gorbatchev, A. [IICO-UASLP, Av. Karakorum 1470, Lomas 4a. Sección, San Luis Potosí, S.L.P. 78210, México (Mexico); López-López, M. [Physics Department, CINVESTAV-IPN, Apdo. Postal 14470 D. F. México, México (Mexico); Cruz-Hernández, E., E-mail: esteban.cruz@uaslp.mx [CIACyT-UASLP, Sierra Leona Av. # 550, Lomas 2a Secc, San Luis Potosí, S.L.P. 78210, México (Mexico)

2015-04-01

Highlights: • The formation of different kind of nanostructures in GaMnAs layers depending on Mn concentration at relative HT-MBE is reported. In this Mn% range, it is found the formation of nanogrooves, nanoleaves, and nanowires. • It is shown the progressive photoluminescence transitions from purely GaAsMn zinc blende (for Mn% = 0.01) to a mixture of zinc blende and wurtzite GaAsMn (for Mn% = 0.2). • A critical thickness for the Mn catalyst effect was determined by RHEED. - Abstract: In the present work, we report on molecular beam epitaxy growth of Mn-doped GaAs films at the relatively high temperature (HT) of 530 °C. We found that by increasing the Mn atomic percent, Mn%, from 0.01 to 0.2, the surface morphology of the samples is strongly influenced and changes from planar to corrugated for Mn% values from 0.01 to 0.05, corresponding to nanostructures on the surface with dimensions of 200–300 nm and with the shape of leave, to nanowire-like structures for Mn% values above 0.05. From reflection high-energy electron diffraction patterns, we observed the growth mode transition from two- to three-dimensional occurring at a Mn% exceeding 0.05. The optical and electrical properties were obtained from photoluminescence (PL) and Hall effect measurements, respectively. For the higher Mn concentration, besides the Mn related transitions at approximately 1.41 eV, PL spectra sharp peaks are present between 1.43 and 1.49 eV, which we related to the coexistence of zinc blende and wurtzite phases in the nanowire-like structures of this sample. At Mn% of 0.04, an increase of the carrier mobility up to a value of 1.1 × 10{sup 3} cm{sup 2}/Vs at 77 K was found, then decreases as Mn% is further increased due to the strengthening of the ionized impurity scattering.

Nonreactive spreading at high-temperature revisited for metal systems via molecular dynamics.

Science.gov (United States)

Benhassine, M; Saiz, E; Tomsia, A P; De Coninck, J

2009-10-06

The spreading for Cu and Ag droplets on top of a rigid solid surface modeling Mo is herewith considered via molecular dynamics. The dynamics of the base radius and the contact angle are recorded and fitted using the molecular-kinetic theory. A method is described to determine for liquid metals at the microscopic level the parameters appearing in this theory. These microscopic parameters are calculated directly in the simulations and compared to the fitted values. The agreement between the fitted values and the calculated ones shows that the dissipation of energy within the drop is caused primarily by the friction of liquid atoms over the substrate. This validation supports the understanding of the mechanisms controlling the spreading of liquid metals which, up to now, were based on experimental data and fitting procedures.

Single-mode temperature and polarisation-stable high-speed 850nm vertical cavity surface emitting lasers

International Nuclear Information System (INIS)

Nazaruk, D E; Blokhin, S A; Maleev, N A; Bobrov, M A; Pavlov, M M; Kulagina, M M; Vashanova, K A; Zadiranov, Yu M; Ustinov, V M; Kuzmenkov, A G; Vasil'ev, A P; Gladyshev, A G; Blokhin, A A; Salut, 7 Larina Str, N Novgorod, 603950 (Russian Federation))" data-affiliation=" (JSV Salut, 7 Larina Str, N Novgorod, 603950 (Russian Federation))" >Fefelov, A G

2014-01-01

A new intracavity-contacted design to realize temperature and polarization-stable high-speed single-mode 850 nm vertical cavity surface emitting lasers (VCSELs) grown by molecular-beam epitaxy is proposed. Temperature dependences of static and dynamic characteristics of the 4.5 pm oxide aperture InGaAlAs VCSEL were investigated in detail. Due to optimal gain-cavity detuning and enhanced carrier localization in the active region the threshold current remains below 0.75 mA for the temperature range within 20-90°C, while the output power exceeds 1 mW up to 90°C. Single-mode operation with side-mode suppression ratio higher than 30 dB and orthogonal polarization suppression ratio more than 18 dB was obtained in the whole current and temperature operation range. Device demonstrates serial resistance less than 250 Ohm, which is rather low for any type of single-mode short- wavelength VCSELs. VCSEL demonstrates temperature robust high-speed operation with modulation bandwidth higher than 13 GHz in the entire temperature range of 20-90°C. Despite high resonance frequency the high-speed performance of developed VCSELs was limited by the cut-off frequency of the parasitic low pass filter created by device resistances and capacitances. The proposed design is promising for single-mode high-speed VCSEL applications in a wide spectral range

High-Temperature Corrosion Behavior of Alloy 617 in Helium Environment of Very High Temperature Gas Reactor

International Nuclear Information System (INIS)

Lee, Gyeong-Geun; Jung, Sujin; Kim, Daejong; Jeong, Yong-Whan; Kim, Dong-Jin

2012-01-01

Alloy 617 is a Ni-base superalloy and a candidate material for the intermediate heat exchanger (IHX) of a very high temperature gas reactor (VHTR) which is one of the next generation nuclear reactors under development. The high operating temperature of VHTR enables various applications such as mass production of hydrogen with high energy efficiency. Alloy 617 has good creep resistance and phase stability at high temperatures in an air environment. However, it was reported that the mechanical properties decreased at a high temperature in an impure helium environment. In this study, high-temperature corrosion tests were carried out at 850°C-950°C in a helium environment containing the impurity gases H_2, CO, and CH_4, in order to examine the corrosion behavior of Alloy 617. Until 250 h, Alloy 617 specimens showed a parabolic oxidation behavior at all temperatures. The activation energy for oxidation in helium environment was 154 kJ/mol. The SEM and EDS results elucidated a Cr-rich surface oxide layer, Al-rich internal oxides and depletion of grain boundary carbides. The thickness and depths of degraded layers also showed a parabolic relationship with time. A normal grain growth was observed in the Cr-rich surface oxide layer. When corrosion tests were conducted in a pure helium environment, the oxidation was suppressed drastically. It was elucidated that minor impurity gases in the helium would have detrimental effects on the high temperature corrosion behavior of Alloy 617 for the VHTR application.

Low temperature superconductor and aligned high temperature superconductor magnetic dipole system and method for producing high magnetic fields

Science.gov (United States)

Gupta, Ramesh; Scanlan, Ronald; Ghosh, Arup K.; Weggel, Robert J.; Palmer, Robert; Anerella, Michael D.; Schmalzle, Jesse

2017-10-17

A dipole-magnet system and method for producing high-magnetic-fields, including an open-region located in a radially-central-region to allow particle-beam transport and other uses, low-temperature-superconducting-coils comprised of low-temperature-superconducting-wire located in radially-outward-regions to generate high magnetic-fields, high-temperature-superconducting-coils comprised of high-temperature-superconducting-tape located in radially-inward-regions to generate even higher magnetic-fields and to reduce erroneous fields, support-structures to support the coils against large Lorentz-forces, a liquid-helium-system to cool the coils, and electrical-contacts to allow electric-current into and out of the coils. The high-temperature-superconducting-tape may be comprised of bismuth-strontium-calcium-copper-oxide or rare-earth-metal, barium-copper-oxide (ReBCO) where the rare-earth-metal may be yttrium, samarium, neodymium, or gadolinium. Advantageously, alignment of the large-dimension of the rectangular-cross-section or curved-cross-section of the high-temperature-superconducting-tape with the high-magnetic-field minimizes unwanted erroneous magnetic fields. Alignment may be accomplished by proper positioning, tilting the high-temperature-superconducting-coils, forming the high-temperature-superconducting-coils into a curved-cross-section, placing nonconducting wedge-shaped-material between windings, placing nonconducting curved-and-wedge-shaped-material between windings, or by a combination of these techniques.

Temperature-dependent structural properties of P3HT films

Energy Technology Data Exchange (ETDEWEB)

Grigorian, S; Joshi, S; Pietsch, U, E-mail: grigorian@physik.uni-siegen.de [Institute of Physics, University Siegen, Walter Flex Strasse 3, D-57068, Siegen (Germany)

2010-11-15

Structural investigations of spin coated and drop cast poly(3-hexylthiophene) P3HT films have been performed under x-ray grazing incidence geometry. Drop cast films revealed to be highly oriented and crystalline and only slightly modify with the temperature. In contrast, spin coated films provided random orientational distribution of nanocrystallites and undergo significant morphological and structural changes during annealing. Interestingly, spin coated films of low and high molecular weight fractions behavior differently as a function of temperature. Crystalline domains of the low molecular weight fractions have been decreased, and, in contrast, we found an improvement of crystallinity of high molecular weight fraction with increase of the temperature.

Temperature-dependent structural properties of P3HT films

International Nuclear Information System (INIS)

Grigorian, S; Joshi, S; Pietsch, U

2010-01-01

Structural investigations of spin coated and drop cast poly(3-hexylthiophene) P3HT films have been performed under x-ray grazing incidence geometry. Drop cast films revealed to be highly oriented and crystalline and only slightly modify with the temperature. In contrast, spin coated films provided random orientational distribution of nanocrystallites and undergo significant morphological and structural changes during annealing. Interestingly, spin coated films of low and high molecular weight fractions behavior differently as a function of temperature. Crystalline domains of the low molecular weight fractions have been decreased, and, in contrast, we found an improvement of crystallinity of high molecular weight fraction with increase of the temperature.

Bombardment of gas molecules on single graphene layer at high temperature

Energy Technology Data Exchange (ETDEWEB)

Murugesan, Ramki [School of Mechanical and Aerospace Engineering, Gyeongsang National University, Jinju, Gyeongnam 660-701 (Korea, Republic of); Park, Jae Hyun [Department of Aerospace and System Engineering and Research Center for Aircraft Parts Technology, Gyeongsang National University, Jinju, Gyeongnam 660-701 (Korea, Republic of); Ha, Dong Sung [Future Propulsion Center, Agency for Defense Development, Daejeon 305-600 (Korea, Republic of)

2014-12-09

Graphite is widely used as a material for rocket-nozzle inserts due to its excellent thermo-physical properties as well as low density. During the operation of rockets, the surface of the graphite nozzle is subjected to very high heat fluxes and the undesirable erosion of the surface occurs due to the bombardment of gas molecules with high kinetic energy, which causes a significant reduction of nozzle performance. However, the understanding and quantification of such bombardment is not satisfactory due to its complexity: The bond breaking-forming happens simultaneously for the carbon atoms of graphene, some gas molecules penetrate through the surface, some of them are reflected from the surface, etc. In the present study, we perform extensive molecular dynamics (MD) simulations to examine the bombardment phenomena in high temperature environment (several thousand Kelvin). Advanced from the previous studies that have focused on the bombardment by light molecules (e.g., H{sub 2}), we will concentrate on the impact by realistic molecules (e.g., CO{sub 2} and H{sub 2}O). LAMMPS is employed for the MD simulations with NVE ensemble and AIREBO potential for graphene. The molecular understanding of the interaction between graphene and highly energetic gas molecules will enable us to design an efficient thermo-mechanical protection system.

Investigations into High Temperature Components and Packaging

Energy Technology Data Exchange (ETDEWEB)

Marlino, L.D.; Seiber, L.E.; Scudiere, M.B.; M.S. Chinthavali, M.S.; McCluskey, F.P.

2007-12-31

The purpose of this report is to document the work that was performed at the Oak Ridge National Laboratory (ORNL) in support of the development of high temperature power electronics and components with monies remaining from the Semikron High Temperature Inverter Project managed by the National Energy Technology Laboratory (NETL). High temperature electronic components are needed to allow inverters to operate in more extreme operating conditions as required in advanced traction drive applications. The trend to try to eliminate secondary cooling loops and utilize the internal combustion (IC) cooling system, which operates with approximately 105 C water/ethylene glycol coolant at the output of the radiator, is necessary to further reduce vehicle costs and weight. The activity documented in this report includes development and testing of high temperature components, activities in support of high temperature testing, an assessment of several component packaging methods, and how elevated operating temperatures would impact their reliability. This report is organized with testing of new high temperature capacitors in Section 2 and testing of new 150 C junction temperature trench insulated gate bipolar transistor (IGBTs) in Section 3. Section 4 addresses some operational OPAL-GT information, which was necessary for developing module level tests. Section 5 summarizes calibration of equipment needed for the high temperature testing. Section 6 details some additional work that was funded on silicon carbide (SiC) device testing for high temperature use, and Section 7 is the complete text of a report funded from this effort summarizing packaging methods and their reliability issues for use in high temperature power electronics. Components were tested to evaluate the performance characteristics of the component at different operating temperatures. The temperature of the component is determined by the ambient temperature (i.e., temperature surrounding the device) plus the

Metabolome Integrated Analysis of High-Temperature Response in Pinus radiata

Directory of Open Access Journals (Sweden)

Mónica Escandón

2018-04-01

Full Text Available The integrative omics approach is crucial to identify the molecular mechanisms underlying high-temperature response in non-model species. Based on future scenarios of heat increase, Pinus radiata plants were exposed to a temperature of 40°C for a period of 5 days, including recovered plants (30 days after last exposure to 40°C in the analysis. The analysis of the metabolome using complementary mass spectrometry techniques (GC-MS and LC-Orbitrap-MS allowed the reliable quantification of 2,287 metabolites. The analysis of identified metabolites and highlighter metabolic pathways across heat time exposure reveal the dynamism of the metabolome in relation to high-temperature response in P. radiata, identifying the existence of a turning point (on day 3 at which P. radiata plants changed from an initial stress response program (shorter-term response to an acclimation one (longer-term response. Furthermore, the integration of metabolome and physiological measurements, which cover from the photosynthetic state to hormonal profile, suggests a complex metabolic pathway interaction network related to heat-stress response. Cytokinins (CKs, fatty acid metabolism and flavonoid and terpenoid biosynthesis were revealed as the most important pathways involved in heat-stress response in P. radiata, with zeatin riboside (ZR and isopentenyl adenosine (iPA as the key hormones coordinating these multiple and complex interactions. On the other hand, the integrative approach allowed elucidation of crucial metabolic mechanisms involved in heat response in P. radiata, as well as the identification of thermotolerance metabolic biomarkers (L-phenylalanine, hexadecanoic acid, and dihydromyricetin, crucial metabolites which can reschedule the metabolic strategy to adapt to high temperature.

Fusion blanket high-temperature heat transfer

International Nuclear Information System (INIS)

Fillo, J.A.

1983-01-01

Deep penetration of 14 MeV neutrons makes two-temperature region blankets feasible. A relatively low-temperature (approx. 300 0 C) metallic structure is the vacuum/coolant pressure boundary, while the interior of the blanket, which is a simple packed bed of nonstructural material, operates at very high temperatures (>1000 0 C). The water-cooled shell structure is thermally insulated from the steam-cooled interior. High-temperature steam can dramatically increase the efficiency of electric power generation, as well as produce hydrogen and oxygen-based synthetic fuels at high-efficiency

Analytical method for estimating the thermal expansion coefficient of metals at high temperature

International Nuclear Information System (INIS)

Takamoto, S; Izumi, S; Nakata, T; Sakai, S; Oinuma, S; Nakatani, Y

2015-01-01

In this paper, we propose an analytical method for estimating the thermal expansion coefficient (TEC) of metals at high-temperature ranges. Although the conventional method based on quasiharmonic approximation (QHA) shows good results at low temperatures, anharmonic effects caused by large-amplitude thermal vibrations reduces its accuracy at high temperatures. Molecular dynamics (MD) naturally includes the anharmonic effect. However, since the computational cost of MD is relatively high, in order to make an interatomic potential capable of reproducing TEC, an analytical method is essential. In our method, analytical formulation of the radial distribution function (RDF) at finite temperature realizes the estimation of the TEC. Each peak of the RDF is approximated by the Gaussian distribution. The average and variance of the Gaussian distribution are formulated by decomposing the fluctuation of interatomic distance into independent elastic waves. We incorporated two significant anharmonic effects into the method. One is the increase in the averaged interatomic distance caused by large amplitude vibration. The second is the variation in the frequency of elastic waves. As a result, the TECs of fcc and bcc crystals estimated by our method show good agreement with those of MD. Our method enables us to make an interatomic potential that reproduces the TEC at high temperature. We developed the GEAM potential for nickel. The TEC of the fitted potential showed good agreement with experimental data from room temperature to 1000 K. As compared with the original potential, it was found that the third derivative of the wide-range curve was modified, while the zeroth, first and second derivatives were unchanged. This result supports the conventional theory of solid state physics. We believe our analytical method and developed interatomic potential will contribute to future high-temperature material development. (paper)

Molecular dynamics simulation on double-elastic deformation of zigzag graphene nanoribbons at low temperature

International Nuclear Information System (INIS)

Sun, Y.J.; Huang, Y.H.; Ma, F.; Ma, D.Y.; Hu, T.W.; Xu, K.W.

2014-01-01

Highlights: • Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs). • The “phase transformation” from hexagonal to quasi-rectangular and the subsequent second elastic deformation were observed. • Related thermal effects model was built to predict fracture strain of ZGNRs, and was consistent with simulation results. -- Abstract: Molecular dynamics simulation was performed to study the deformation behaviors of Zigzag Graphene Nano-Ribbons (ZGNRs) 150 Å × 150 Å in size, and double-elastic deformation was observed at temperatures lower than 90 K. Essentially, at such a low temperature, the lattice vibration was significantly weakened and thus the lifetime of C-C bonds was prolonged considerably. Moreover, it was difficult for broken bonds to accumulate and resulted in the destructive fracture of ZGNRs at low temperature. As a result, the “phase transformation” from hexagonal to quasi-rectangular and subsequently the second elastic deformation took place. However, at higher temperatures, says, 300 K, brittle fracture was observed and the fracture strength decreased with temperature, which was consistent with previously reported results. Additionally at higher strain rate, the atoms could not respond to the external loading in time, the fracture strain and fracture strength were enhanced

A Delay Time Measurement of ULTRAS (Ultra-high Temperature Ultrasonic Response Analysis System) for a High Temperature Experiment

International Nuclear Information System (INIS)

Koo, Kil Mo; Kim, Sang Baik

2010-01-01

The temperature measurement of very high temperature core melt is of importance in a high temperature as the molten pool experiment in which gap formation between core melt and the reactor lower head, and the effect of the gap on thermal behavior are to be measured. The existing temperature measurement techniques have some problems, which the thermocouple, one of the contact methods, is restricted to under 2000 .deg. C, and the infrared thermometry, one of the non-contact methods, is unable to measure an internal temperature and very sensitive to the interference from reacted gases. In order to solve these problems, the delay time technique of ultrasonic wavelets due to high temperature has two sorts of stage. As a first stage, a delay time measurement of ULTRAS (Ultra-high Temperature Ultrasonic Response Analysis System) is suggested. As a second stage, a molten material temperature was measured up to 2300 .deg. C. Also, the optimization design of the UTS (ultrasonic temperature sensor) with persistence at the high temperature was suggested in this paper. And the utilization of the theory suggested in this paper and the efficiency of the developed system are performed by special equipment and some experiments supported by KRISS (Korea Research Institute of Standard and Science)

Melt processed high-temperature superconductors

CERN Document Server

1993-01-01

The achievement of large critical currents is critical to the applications of high-temperature superconductors. Recent developments have shown that melt processing is suitable for producing high J c oxide superconductors. Using magnetic forces between such high J c oxide superconductors and magnets, a person could be levitated.This book has grown largely out of research works on melt processing of high-temperature superconductors conducted at ISTEC Superconductivity Research Laboratory. The chapters build on melt processing, microstructural characterization, fundamentals of flux pinning, criti

Very-high-temperature reactors for future use

International Nuclear Information System (INIS)

Kasten, P.R.

1988-01-01

Very-High-Temperature Reactors (VHTRs) show promise for economic generation of electricity and of high-temperature process heat. The key is the development of high-temperature materials which permit gas turbine VHTRs to generate electricity economically, at helium temperatures which can be used for fossil fuel conversion processes. 7 refs., 5 figs

Very-high-temperature reactors for future use

International Nuclear Information System (INIS)

Kasten, P.R.

1988-08-01

Very-high-temperature reactors (VHTRs) show promise for economic generation of electricity and of high-temperature process heat. The key is the development of high-temperature materials which permit gas turbine VHTRs to generate electricity economically, at reactor coolant temperatures which can be used for fossil fuel conversion processes. 7 refs., 5 figs

Molecular dynamics in high electric fields

International Nuclear Information System (INIS)

Apostol, M.; Cune, L.C.

2016-01-01

Highlights: • New method for rotation molecular spectra in high electric fields. • Parametric resonances – new features in spectra. • New elementary excitations in polar solids from dipolar interaction (“dipolons”). • Discussion about a possible origin of the ferroelectricity from dipolar interactions. - Abstract: Molecular rotation spectra, generated by the coupling of the molecular electric-dipole moments to an external time-dependent electric field, are discussed in a few particular conditions which can be of some experimental interest. First, the spherical-pendulum molecular model is reviewed, with the aim of introducing an approximate method which consists in the separation of the azimuthal and zenithal motions. Second, rotation spectra are considered in the presence of a static electric field. Two particular cases are analyzed, corresponding to strong and weak fields. In both cases the classical motion of the dipoles consists of rotations and vibrations about equilibrium positions; this motion may exhibit parametric resonances. For strong fields a large macroscopic electric polarization may appear. This situation may be relevant for polar matter (like pyroelectrics, ferroelectrics), or for heavy impurities embedded in a polar solid. The dipolar interaction is analyzed in polar condensed matter, where it is shown that new polarization modes appear for a spontaneous macroscopic electric polarization (these modes are tentatively called “dipolons”); one of the polarization modes is related to parametric resonances. The extension of these considerations to magnetic dipoles is briefly discussed. The treatment is extended to strong electric fields which oscillate with a high frequency, as those provided by high-power lasers. It is shown that the effect of such fields on molecular dynamics is governed by a much weaker, effective, renormalized, static electric field.

Molecular dynamics simulations to calculate glass transition temperature and elastic constants of novel polyethers.

Science.gov (United States)

Sarangapani, Radhakrishnan; Reddy, Sreekantha T; Sikder, Arun K

2015-04-01

Molecular dynamics simulations studies are carried out on hydroxyl terminated polyethers that are useful in energetic polymeric binder applications. Energetic polymers derived from oxetanes with heterocyclic side chains with different energetic substituents are designed and simulated under the ensembles of constant particle number, pressure, temperature (NPT) and constant particle number, volume, temperature (NVT). Specific volume of different amorphous polymeric models is predicted using NPT-MD simulations as a function of temperature. Plots of specific volume versus temperature exhibited a characteristic change in slope when amorphous systems change from glassy to rubbery state. Several material properties such as Young's, shear, and bulk modulus, Poisson's ratio, etc. are predicted from equilibrated structures and established the structure-property relations among designed polymers. Energetic performance parameters of these polymers are calculated and results reveal that the performance of the designed polymers is comparable to the benchmark energetic polymers like polyNIMMO, polyAMMO and polyBAMO. Overall, it is worthy remark that this molecular simulations study on novel energetic polyethers provides a good guidance on mastering the design principles and allows us to design novel polymers of tailored properties. Copyright © 2015 Elsevier Inc. All rights reserved.

Molecular mechanisms regulating oxygen transport and consumption in high altitude and hibernating mammals

DEFF Research Database (Denmark)

Revsbech, Inge Grønvall

2016-01-01

The aim of this thesis is to broaden the knowledge of molecular mechanisms of adjustment in oxygen (O2) uptake, conduction, delivery and consumption in mammals adapted to extreme conditions. For this end, I have worked with animals living at high altitude as an example of environmental hypoxia...... of the repeatedly found adaptive traits in animals living at high altitude and in hibernating mammals during hibernation compared with the active state. Factors that affect O2 affinity of Hb include temperature, H+/CO2 via the Bohr effect as well as Cl- and organic phosphates, in mammals mainly 2...

High-temperature bulk acoustic wave sensors

International Nuclear Information System (INIS)

Fritze, Holger

2011-01-01

Piezoelectric crystals like langasite (La 3 Ga 5 SiO 14 , LGS) and gallium orthophosphate (GaPO 4 ) exhibit piezoelectrically excited bulk acoustic waves at temperatures of up to at least 1450 °C and 900 °C, respectively. Consequently, resonant sensors based on those materials enable new sensing approaches. Thereby, resonant high-temperature microbalances are of particular interest. They correlate very small mass changes during film deposition onto resonators or gas composition-dependent stoichiometry changes of thin films already deposited onto the resonators with the resonance frequency shift of such devices. Consequently, the objective of the work is to review the high-temperature properties, the operation limits and the measurement principles of such resonators. The electromechanical properties of high-temperature bulk acoustic wave resonators such as mechanical stiffness, piezoelectric and dielectric constant, effective viscosity and electrical conductivity are described using a one-dimensional physical model and determined accurately up to temperatures as close as possible to their ultimate limit. Insights from defect chemical models are correlated with the electromechanical properties of the resonators. Thereby, crucial properties for stable operation as a sensor under harsh conditions are identified to be the formation of oxygen vacancies and the bulk conductivity. Operation limits concerning temperature, oxygen partial pressure and water vapor pressure are given. Further, application-relevant aspects such as temperature coefficients, temperature compensation and mass sensitivity are evaluated. In addition, approximations are introduced which make the exact model handy for routine data evaluation. An equivalent electrical circuit for high-temperature resonator devices is derived based on the one-dimensional physical model. Low- and high-temperature approximations are introduced. Thereby, the structure of the equivalent circuit corresponds to the

High-temperature bulk acoustic wave sensors

Science.gov (United States)

Fritze, Holger

2011-01-01

Piezoelectric crystals like langasite (La3Ga5SiO14, LGS) and gallium orthophosphate (GaPO4) exhibit piezoelectrically excited bulk acoustic waves at temperatures of up to at least 1450 °C and 900 °C, respectively. Consequently, resonant sensors based on those materials enable new sensing approaches. Thereby, resonant high-temperature microbalances are of particular interest. They correlate very small mass changes during film deposition onto resonators or gas composition-dependent stoichiometry changes of thin films already deposited onto the resonators with the resonance frequency shift of such devices. Consequently, the objective of the work is to review the high-temperature properties, the operation limits and the measurement principles of such resonators. The electromechanical properties of high-temperature bulk acoustic wave resonators such as mechanical stiffness, piezoelectric and dielectric constant, effective viscosity and electrical conductivity are described using a one-dimensional physical model and determined accurately up to temperatures as close as possible to their ultimate limit. Insights from defect chemical models are correlated with the electromechanical properties of the resonators. Thereby, crucial properties for stable operation as a sensor under harsh conditions are identified to be the formation of oxygen vacancies and the bulk conductivity. Operation limits concerning temperature, oxygen partial pressure and water vapor pressure are given. Further, application-relevant aspects such as temperature coefficients, temperature compensation and mass sensitivity are evaluated. In addition, approximations are introduced which make the exact model handy for routine data evaluation. An equivalent electrical circuit for high-temperature resonator devices is derived based on the one-dimensional physical model. Low- and high-temperature approximations are introduced. Thereby, the structure of the equivalent circuit corresponds to the Butterworth

Effect of growth temperature on defects in epitaxial GaN film grown by plasma assisted molecular beam epitaxy

Directory of Open Access Journals (Sweden)

S. S. Kushvaha

2014-02-01

Full Text Available We report the effect of growth temperature on defect states of GaN epitaxial layers grown on 3.5 μm thick GaN epi-layer on sapphire (0001 substrates using plasma assisted molecular beam epitaxy. The GaN samples grown at three different substrate temperatures at 730, 740 and 750 °C were characterized using atomic force microscopy and photoluminescence spectroscopy. The atomic force microscopy images of these samples show the presence of small surface and large hexagonal pits on the GaN film surfaces. The surface defect density of high temperature grown sample is smaller (4.0 × 108 cm−2 at 750 °C than that of the low temperature grown sample (1.1 × 109 cm−2 at 730 °C. A correlation between growth temperature and concentration of deep centre defect states from photoluminescence spectra is also presented. The GaN film grown at 750 °C exhibits the lowest defect concentration which confirms that the growth temperature strongly influences the surface morphology and affects the optical properties of the GaN epitaxial films.

High-temperature metallography setup

International Nuclear Information System (INIS)

Blumenfeld, M.; Shmarjahu, D.; Elfassy, S.

1979-06-01

A high-temperature metallography setup is presented. In this setup the observation of processes such as that of copper recrystallization was made possible, and the structure of metals such as uranium could be revealed. A brief historical review of part of the research works that have been done with the help of high temperature metallographical observation technique since the beginning of this century is included. Detailed description of metallographical specimen preparation technique and theoretical criteria based on the rate of evaporation of materials present on the polished surface of the specimens are given

Radiation chemistry in high pressure paying attention to molecular motion and alignment

International Nuclear Information System (INIS)

Sasuga, Tsuneo

1978-01-01

Effects of high pressure or radiation-induced cross-linking of synthetic rubbers and polymerization of methacrylates and acrylonitrile (AN) have been studied paying attention to molecular motion and alignment. The following were revealed from radiation-induced crosslinking reaction, pressure-volume-temperature (P-V-T) measurement and chemical relaxation of polymer crosslinked at high pressure: (1) The rate of crosslinking is increased in compression especially in polymers containing double bonds, due to chain reaction through double bonds. (2) Crosslinking points of the polymer with double bonds crosslinked at high pressure are dispersed as cluster. (3) Crosslinking reaction is intimately related with change of the molecular motion in a polymer under pressure. Van't Hoff plots of methacrylates and AN breaked at a pressure depending on the monomer. The pressure giving the breaks depends on length of methacrylate. P-V curves of the polymer-monomer coexistence system as-polymerized exhibit peculiar behavior at the pressure giving the breaks. AN exhibits complicated polymerization behavior at a pressure changing compressibility of the monomer. From above results etc. it is concluded that monomer molecules are aligned in short range at a pressure corresponding to geometrical structure of the monomer molecules. (auth.)

High-quality AlGaN/GaN grown on sapphire by gas-source molecular beam epitaxy using a thin low-temperature AlN layer

Energy Technology Data Exchange (ETDEWEB)

Jurkovic, M.J.; Li, L.K.; Turk, B.; Wang, W.I.; Syed, S.; Simonian, D.; Stormer, H.L.

2000-07-01

Growth of high-quality AlGaN/GaN heterostructures on sapphire by ammonia gas-source molecular beam epitaxy is reported. Incorporation of a thin AlN layer grown at low temperature within the GaN buffer is shown to result in enhanced electrical and structural characteristics for subsequently grown heterostructures. AlGaN/GaN structures exhibiting reduced background doping and enhanced Hall mobilities (2100, 10310 and 12200 cm{sup 2}/Vs with carrier sheet densities of 6.1 x 10{sup 12} cm{sup {minus}2}, and 5.8 x 10{sup 12} cm{sup {minus}2} at 300 K, 77 K, and 0.3 K, respectively) correlate with dislocation filtering in the thin AlN layer. Magnetotransport measurements at 0.3 K reveal well-resolved Shubnikov-de Haas oscillations starting at 3 T.

High temperature stability of surfactant capped CoFe2O4 nanoparticles

International Nuclear Information System (INIS)

Ayyappan, S.; Panneerselvam, G.; Antony, M.P.; Philip, John

2011-01-01

Highlights: → Self-assembled molecular layers of surfactant on nanoparticles are often used to modify surface properties. → We demonstrate that a surfactant nanolayer on CoFe 2 O 4 nanoparticles can act as a strong reducing agent under high temperature vacuum annealing. → We propose a possible reduction mechanism of CoFe 2 O 4 nanoparticles under air and vacuum annealing. → Our results are important in the understanding of the stability of nanoparticles at high temperatures. - Abstract: We investigate the effect of adsorbed surfactant on the structural stability of CoFe 2 O 4 nanoparticles during vacuum thermal annealing. In-situ high temperature X-ray diffraction studies show a reduction of oleic acid coated CoFe 2 O 4 nanoparticles into α-Fe and CoO under annealing at 800 deg. C. On the contrary, the uncoated CoFe 2 O 4 nanoparticles remains stable, with its cubic phase intact, even at 1000 deg. C. Thermo-gravimetric analysis coupled mass spectra reveals that the evolved carbon from the surfactant aids the removal of oxygen atom from CoFe 2 O 4 lattice thereby reducing it to α-Fe and CoO phases. These results are important in tailoring stable CoFe 2 O 4 nanostructures for various applications.

Molecular Insights into Carbon Nanotube Supercapacitors: Capacitance Independent of Voltage and Temperature

Energy Technology Data Exchange (ETDEWEB)

Feng, Guang [Vanderbilt Univ., Nashville, TN (United States). Dept. of Chemical and Biomolecular Engineering; Li, Song [Vanderbilt Univ., Nashville, TN (United States). Dept. of Chemical and Biomolecular Engineering; Atchison, Jennifer S. [Leibniz Inst. for New Materials (INM), Saarbrücken (Germany); Presser, Volker [Leibniz Inst. for New Materials (INM), Saarbrücken (Germany); Cummings, Peter T. [Vanderbilt Univ., Nashville, TN (United States). Dept. of Chemical and Biomolecular Engineering; Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Center for Nanophase Materials Science

2013-04-12

Molecular dynamics (MD) simulations of supercapacitors with single-walled carbon nanotube (SWCNT) electrodes in room-temperature ionic liquids were performed to investigate the influences of the applied electrical potential, the radius/curvature of SWCNTs, and temperature on their capacitive behavior. It is found that (1) SWCNTs-based supercapacitors exhibit a near-flat capacitance–potential curve, (2) the capacitance increases as the tube radius decreases, and (3) the capacitance depends little on the temperature. We report the first MD study showing the influence of the electrode curvature on the capacitance–potential curve and negligible dependence of temperature on capacitance of tubular electrode. The latter is in good agreement with recent experimental findings and is attributed to the similarity of the electrical double layer (EDL) microstructure with temperature varying from 260 to 400 K. The electrode curvature effect is explained by the dominance of charge overscreening and increased ion density per unit area of electrode surface.

High-pressure-high-temperature treatment of natural diamonds

CERN Document Server

Royen, J V

2002-01-01

The results are reported of high-pressure-high-temperature (HPHT) treatment experiments on natural diamonds of different origins and with different impurity contents. The diamonds are annealed in a temperature range up to 2000 sup o C at stabilizing pressures up to 7 GPa. The evolution is studied of different defects in the diamond crystal lattice. The influence of substitutional nitrogen atoms, plastic deformation and the combination of these is discussed. Diamonds are characterized at room and liquid nitrogen temperature using UV-visible spectrophotometry, Fourier transform infrared spectrophotometry and photoluminescence spectrometry. The economic implications of diamond HPHT treatments are discussed.

Electron-capture cross sections for low-energy highly charged neon and argon ions from molecular and atomic hydrogen

International Nuclear Information System (INIS)

Can, C.; Gray, T.J.; Varghese, S.L.; Hall, J.M.; Tunnell, L.N.

1985-01-01

Electron-capture cross sections for low-velocity (10 6 --10 7 cm/s) highly charged Ne/sup q/+ (2< or =q< or =7) and Ar/sup q/+ (2< or =q< or =10)= projectiles incident on molecular- and atomic-hydrogen targets have been measured. A recoil-ion source that used the collisions of fast heavy ions (1 MeV/amu) with target gas atoms was utilized to produce slow highly charged ions. Atomic hydrogen was produced by dissociating hydrogen molecules in a high-temperature oven. Measurements and analysis of the data for molecular- and atomic-hydrogen targets are discussed in detail. The measured absolute cross sections are compared with published data and predictions of theoretical models

High Temperature Superconductor Machine Prototype

DEFF Research Database (Denmark)

Mijatovic, Nenad; Jensen, Bogi Bech; Træholt, Chresten

2011-01-01

A versatile testing platform for a High Temperature Superconductor (HTS) machine has been constructed. The stationary HTS field winding can carry up to 10 coils and it is operated at a temperature of 77K. The rotating armature is at room temperature. Test results and performance for the HTS field...

High-speed collision of copper nanoparticle with aluminum surface: Molecular dynamics simulation

Science.gov (United States)

Pogorelko, Victor V.; Mayer, Alexander E.; Krasnikov, Vasiliy S.

2016-12-01

We investigate the effect of the high-speed collision of copper nanoparticles with aluminum surface by means of molecular dynamic simulations. Studied diameter of nanoparticles is varied within the range 7.2-22 nm and the velocity of impact is equal to 500 or 1000 m/s. Dislocation analysis shows that a large quantity of dislocations is formed within the impact area. Overall length of dislocations is determined, first of all, by the impact velocity and by the size of incident copper nanoparticle, in other words, by the kinetic energy of the nanoparticle. Dislocations occupy the total volume of the impacted aluminum single crystal layer (40.5 nm in thickness) in the form of intertwined structure in the case of large kinetic energy of the incident nanoparticle. Decrease in the initial kinetic energy or increase in the layer thickness lead to restriction of the penetration depth of the dislocation net; formation of separate dislocation loops is observed in this case. Increase in the initial system temperature slightly raises the dislocation density inside the bombarded layer and considerably decreases the dislocation density inside the nanoparticle. The temperature increase also leads to a deeper penetration of the copper atoms inside the aluminum. Additional molecular dynamic simulations show that the deposited particles demonstrate a very good adhesion even in the case of the considered relatively large nanoparticles. Medium energy of the nanoparticles corresponding to velocity of about 500 m/s and elevated temperature of the system about 700-900 K are optimal parameters for production of high-quality layers of copper on the aluminum surface. These conditions provide both a good adhesion and a less degree of the plastic deformation. At the same time, higher impact velocities can be used for combined treatment consisting of both the plastic deformation and the coating.

Stability of High Temperature Standard Platinum Resistance Thermometers at High Temperatures

OpenAIRE

Y. A. ABDELAZIZ; F. M. MEGAHED

2010-01-01

An investigation of the stability of high temperature standard platinum resistance thermometers HTSPRTs has been carried out for two different designs thermometers (with nominal resistance 0.25 Ω and 2.5 Ω) from two different suppliers. The thermometers were heated for more than 160 hours at temperatures above 960 0C using a vertical furnace with a ceramic block. A study was made of the influence of the heat treatment on the stability of the resistance at the triple point of water, and on the...

Low temperature step-graded InAlAs/GaAs metamorphic buffer layers grown by molecular beam epitaxy

International Nuclear Information System (INIS)

Shang, X Z; Wu, S D; Liu, C; Wang, W X; Guo, L W; Huang, Q; Zhou, J M

2006-01-01

Low-temperature step-graded InAlAs metamorphic buffer layers on GaAs substrate grown by molecular beam epitaxy were investigated. The strain relaxation and the composition of the top InAlAs layer were determined by high-resolution triple-axis x-ray diffraction measurements, which show that the top InAlAs layer is nearly fully relaxed. Surface morphology was observed by reflection high-energy electron diffraction pattern and atomic force microscopy. Under a selected range of growth parameters, the root mean square surface roughness of the sample grown at 380 deg. C is 0.802 nm, which has the smallest value compared with those of other samples. Furthermore, The ω-2θ and ω scans of the triple-axis x-ray diffraction, and photoluminescence show the sample grown at 380 deg. C has better crystalline quality. With decreasing As overpressure at this growth temperature, crystalline quality became poor and could not maintain two dimensional growth with increasing overpressure. The carrier concentrations and Hall mobilities of the InAlAs/ InGaAs/GaAs MM-HEMT structure on low-temperature step-graded InAlAs metamorphic buffer layers grown in optimized conditions are high enough to make devices

Design and testing of high temperature micro-ORC test stand using Siloxane as working fluid

Science.gov (United States)

Turunen-Saaresti, Teemu; Uusitalo, Antti; Honkatukia, Juha

2017-03-01

Organic Rankine Cycle is a mature technology for many applications e.g. biomass power plants, waste heat recovery and geothermal power for larger power capacity. Recently more attention is paid on an ORC utilizing high temperature heat with relatively low power. One of the attractive applications of such ORCs would be utilization of waste heat of exhaust gas of combustion engines in stationary and mobile applications. In this paper, a design procedure of the ORC process is described and discussed. The analysis of the major components of the process, namely the evaporator, recuperator, and turbogenerator is done. Also preliminary experimental results of an ORC process utilizing high temperature exhaust gas heat and using siloxane MDM as a working fluid are presented and discussed. The turbine type utilized in the turbogenerator is a radial inflow turbine and the turbogenerator consists of the turbine, the electric motor and the feed pump. Based on the results, it was identified that the studied system is capable to generate electricity from the waste heat of exhaust gases and it is shown that high molecular weight and high critical temperature fluids as the working fluids can be utilized in high-temperature small-scale ORC applications. 5.1 kW of electric power was generated by the turbogenerator.

Molecular dynamics study on the structural and dynamic properties of xanthan gum in a dilute solution under the effect of temperature

Science.gov (United States)

Ong, Ernest E. S.; O'Byrne, Sean; Liow, Jong-Leng

2018-04-01

Xanthan gum (XG) is considered one of the most industrially important polysaccharides, with applications ranging from food products such as ice creams and salad dressings to pharmaceuticals and oil well drilling fluids. The wide application of XG is due to its favourable rheological properties and its capability to resist degradation under a high shear or high temperature environment. It is generally accepted that both inter- and intramolecular interactions, including hydrogen bonding (HB), are responsible for its unique properties. To date, there is still a lack of comprehensive examination on the HB mechanism in polysaccharides. Therefore, the study proposed here was conducted using molecular dynamics (MD) simulations that are able to provide insights with an unparalleled temporal and spatial resolution. Since XG is used over a broad range of temperatures, the implications of thermal effect on the structure and molecular interactions of XG in an aqueous solution are discussed in this paper. MD simulations were run at an isobaric-isothermal condition with 1 atm target pressure and five temperatures ranging between 283K and 353K. From the simulation results, an increasingly extended conformation of XG is observed as the temperature rises, and this finding matches qualitatively with the results published in the literature. The radius of gyration, radial pair distribution functions and intramolecular HB of XG were also discussed. The outcomes of the present study may serve as a stepping stone for the future studies on polysaccharides using MD simulations.

Thermodynamical and structural properties of solid surfaces in the high temperature range by molecular dynamics solution: evidence for a roughening transition on the F.C.C. {110} surface

International Nuclear Information System (INIS)

Rosato, Vittorio

1986-01-01

We have studied by Molecular Dynamics simulation the thermodynamical and structural properties of the {110} solid Argon surface as a function of temperature up to T m . The following results have been obtained: 1) the Arrhenius plot indicates that for T> 0.7 T m the defect creation becomes a nearly athermal process. The measured surface diffusion coefficients are very high and are comparable with those observed in the liquid state. 2) the long range order is preserved at least up to T= 0.94 T m . The thermal disorder is related to the onset of a roughening transition on that surface at T ≅ 0.7 T m . Surface layers are not melted in the whole range of temperature we have studied. Furthermore we have investigated the influence of constraints on the surface structure for the same model system previously used at T = 0.48 T m . We have shown that both temperature and constraints induce disorder on surface: for constraints corresponding to elastic deformations of -5 pc applied along the dense axis {110}, the surface structure results to be very similar to that obtained, without constraints, at a higher temperature (T = 0.68 T m ). The implications of our bindings in several areas of Materials Science are briefly discussed. (author) [fr

High Temperature Chemistry at NASA: Hot Topics

Science.gov (United States)

Jacobson, Nathan S.

2014-01-01

High Temperature issues in aircraft engines Hot section: Ni and Co based Superalloys Oxidation and Corrosion (Durability) at high temperatures. Thermal protection system (TPS) and RCC (Reinforced Carbon-Carbon) on the Space Shuttle Orbiter. High temperatures in other worlds: Planets close to their stars.

High Temperature Transparent Furnace Development

Science.gov (United States)

Bates, Stephen C.

1997-01-01

This report describes the use of novel techniques for heat containment that could be used to build a high temperature transparent furnace. The primary objective of the work was to experimentally demonstrate transparent furnace operation at 1200 C. Secondary objectives were to understand furnace operation and furnace component specification to enable the design and construction of a low power prototype furnace for delivery to NASA in a follow-up project. The basic approach of the research was to couple high temperature component design with simple concept demonstration experiments that modify a commercially available transparent furnace rated at lower temperature. A detailed energy balance of the operating transparent furnace was performed, calculating heat losses through the furnace components as a result of conduction, radiation, and convection. The transparent furnace shells and furnace components were redesigned to permit furnace operation at at least 1200 C. Techniques were developed that are expected to lead to significantly improved heat containment compared with current transparent furnaces. The design of a thermal profile in a multizone high temperature transparent furnace design was also addressed. Experiments were performed to verify the energy balance analysis, to demonstrate some of the major furnace improvement techniques developed, and to demonstrate the overall feasibility of a high temperature transparent furnace. The important objective of the research was achieved: to demonstrate the feasibility of operating a transparent furnace at 1200 C.

Study of the high-pressure helium phase diagram using molecular dynamics

International Nuclear Information System (INIS)

Koci, L; Ahuja, R; Belonoshko, A B; Johansson, B

2007-01-01

The rich occurrence of helium and hydrogen in space makes their properties highly interesting. By means of molecular dynamics (MD), we have examined two interatomic potentials for 4 He. Both potentials are demonstrated to reproduce high-pressure solid and liquid equation of state (EOS) data. The EOS, solid-solid transitions and melting at high pressures (P) were studied using a two-phase method. The Buckingham potential shows a good agreement with theoretical and experimental EOS, but does not reproduce experimental melting data. The Aziz potential shows a perfect match with theoretical melting data. We conclude that there is a stable body-centred-cubic (bcc) phase for 4 He at temperatures (T) above 340 K and pressures above 22 GPa for the Buckingham potential, whereas no bcc phase is found for the Aziz potential in the applied PT range

HIgh Temperature Photocatalysis over Semiconductors

Science.gov (United States)

Westrich, Thomas A.

Due in large part to in prevalence of solar energy, increasing demand of energy production (from all sources), and the uncertain future of petroleum energy feedstocks, solar energy harvesting and other photochemical systems will play a major role in the developing energy market. This dissertation focuses on a novel photochemical reaction process: high temperature photocatalysis (i.e., photocatalysis conducted above ambient temperatures, T ≥ 100°C). The overarching hypothesis of this process is that photo-generated charge carriers are able to constructively participate in thermo-catalytic chemical reactions, thereby increasing catalytic rates at one temperature, or maintaining catalytic rates at lower temperatures. The photocatalytic oxidation of carbon deposits in an operational hydrocarbon reformer is one envisioned application of high temperature photocatalysis. Carbon build-up during hydrocarbon reforming results in catalyst deactivation, in the worst cases, this was shown to happen in a period of minutes with a liquid hydrocarbon. In the presence of steam, oxygen, and above-ambient temperatures, carbonaceous deposits were photocatalytically oxidized over very long periods (t ≥ 24 hours). This initial experiment exemplified the necessity of a fundamental assessment of high temperature photocatalytic activity. Fundamental understanding of the mechanisms that affect photocatalytic activity as a function of temperatures was achieved using an ethylene photocatalytic oxidation probe reaction. Maximum ethylene photocatalytic oxidation rates were observed between 100 °C and 200 °C; the maximum photocatalytic rates were approximately a factor of 2 larger than photocatalytic rates at ambient temperatures. The loss of photocatalytic activity at temperatures above 200 °C is due to a non-radiative multi-phonon recombination mechanism. Further, it was shown that the fundamental rate of recombination (as a function of temperature) can be effectively modeled as a

High temperature reaction kinetics

International Nuclear Information System (INIS)

Jonah, C.D.; Beno, M.F.; Mulac, W.A.; Bartels, D.

1985-01-01

During the last year the dependence of the apparent rate of OD + CO on water pressure was measured at 305, 570, 865 and 1223 K. An explanation was found and tested for the H 2 O dependence of the apparent rate of OH(OD) + CO at high temperatures. The isotope effect for OH(D) with CO was determined over the temperature range 330 K to 1225 K. The reason for the water dependence of the rate of OH(OD) + CO near room temperatures has been investigated but no clear explanation has been found. 1 figure

High-frequency applications of high-temperature superconductor thin films

Science.gov (United States)

Klein, N.

2002-10-01

High-temperature superconducting thin films offer unique properties which can be utilized for a variety of high-frequency device applications in many areas related to the strongly progressing market of information technology. One important property is an exceptionally low level of microwave absorption at temperatures attainable with low power cryocoolers. This unique property has initiated the development of various novel type of microwave devices and commercialized subsystems with special emphasis on application in advanced microwave communication systems. The second important achievement related to efforts in oxide thin and multilayer technology was the reproducible fabrication of low-noise Josephson junctions in high-temperature superconducting thin films. As a consequence of this achievement, several novel nonlinear high-frequency devices, most of them exploiting the unique features of the ac Josephson effect, have been developed and found to exhibit challenging properties to be utilized in basic metrology and Terahertz technology. On the longer timescale, the achievements in integrated high-temperature superconductor circuit technology may offer a strong potential for the development of digital devices with possible clock frequencies in the range of 100 GHz.

High-frequency applications of high-temperature superconductor thin films

International Nuclear Information System (INIS)

Klein, N.

2002-01-01

High-temperature superconducting thin films offer unique properties which can be utilized for a variety of high-frequency device applications in many areas related to the strongly progressing market of information technology. One important property is an exceptionally low level of microwave absorption at temperatures attainable with low power cryocoolers. This unique property has initiated the development of various novel type of microwave devices and commercialized subsystems with special emphasis on application in advanced microwave communication systems. The second important achievement related to efforts in oxide thin and multilayer technology was the reproducible fabrication of low-noise Josephson junctions in high-temperature superconducting thin films. As a consequence of this achievement, several novel nonlinear high-frequency devices, most of them exploiting the unique features of the ac Josephson effect, have been developed and found to exhibit challenging properties to be utilized in basic metrology and Terahertz technology. On the longer timescale, the achievements in integrated high-temperature superconductor circuit technology may offer a strong potential for the development of digital devices with possible clock frequencies in the range of 100 GHz. (author)

Review on fatigue behavior of high-strength concrete after high temperature

Science.gov (United States)

Zhao, Dongfu; Jia, Penghe; Gao, Haijing

2017-06-01

The fatigue of high-strength concrete after high temperature has begun to attract attention. But so far the researches work about the fatigue of high-strength concrete after high temperature have not been reported. This article based on a large number of literature. The research work about the fatigue of high-strength concrete after high temperature are reviewed, analysed and expected, which can provide some reference for the experimental study of fatigue damage analysis.

Luminescent N-polar (In,Ga)N/GaN quantum wells achieved by plasma-assisted molecular beam epitaxy at temperatures exceeding 700 °C

Science.gov (United States)

Chèze, C.; Feix, F.; Lähnemann, J.; Flissikowski, T.; Kryśko, M.; Wolny, P.; Turski, H.; Skierbiszewski, C.; Brandt, O.

2018-01-01

Previously, we found that N-polar (In,Ga)N/GaN quantum wells prepared on freestanding GaN substrates by plasma-assisted molecular beam epitaxy at conventional growth temperatures of about 650 °C do not exhibit any detectable luminescence even at 10 K. In the present work, we investigate (In,Ga)N/GaN quantum wells grown on Ga- and N-polar GaN substrates at a constant temperature of 730 °C . This exceptionally high temperature results in a vanishing In incorporation for the Ga-polar sample. In contrast, quantum wells with an In content of 20% and abrupt interfaces are formed on N-polar GaN. Moreover, these quantum wells exhibit a spatially uniform green luminescence band up to room temperature, but the intensity of this band is observed to strongly quench with temperature. Temperature-dependent photoluminescence transients show that this thermal quenching is related to a high density of nonradiative Shockley-Read-Hall centers with large capture coefficients for electrons and holes.

Cellular Viscosity in Prokaryotes and Thermal Stability of Low Molecular Weight Biomolecules.

Science.gov (United States)

Cuecas, Alba; Cruces, Jorge; Galisteo-López, Juan F; Peng, Xiaojun; Gonzalez, Juan M

2016-08-23

Some low molecular weight biomolecules, i.e., NAD(P)H, are unstable at high temperatures. The use of these biomolecules by thermophilic microorganisms has been scarcely analyzed. Herein, NADH stability has been studied at different temperatures and viscosities. NADH decay increased at increasing temperatures. At increasing viscosities, NADH decay rates decreased. Thus, maintaining relatively high cellular viscosity in cells could result in increased stability of low molecular weight biomolecules (i.e., NADH) at high temperatures, unlike what was previously deduced from studies in diluted water solutions. Cellular viscosity was determined using a fluorescent molecular rotor in various prokaryotes covering the range from 10 to 100°C. Some mesophiles showed the capability of changing cellular viscosity depending on growth temperature. Thermophiles and extreme thermophiles presented a relatively high cellular viscosity, suggesting this strategy as a reasonable mechanism to thrive under these high temperatures. Results substantiate the capability of thermophiles and extreme thermophiles (growth range 50-80°C) to stabilize and use generally considered unstable, universal low molecular weight biomolecules. In addition, this study represents a first report, to our knowledge, on cellular viscosity measurements in prokaryotes and it shows the dependency of prokaryotic cellular viscosity on species and growth temperature. Copyright © 2016 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Materials corrosion and protection at high temperatures

International Nuclear Information System (INIS)

Balbaud, F.; Desgranges, Clara; Martinelli, Laure; Rouillard, Fabien; Duhamel, Cecile; Marchetti, Loic; Perrin, Stephane; Molins, Regine; Chevalier, S.; Heintz, O.; David, N.; Fiorani, J.M.; Vilasi, M.; Wouters, Y.; Galerie, A.; Mangelinck, D.; Viguier, B.; Monceau, D.; Soustelle, M.; Pijolat, M.; Favergeon, J.; Brancherie, D.; Moulin, G.; Dawi, K.; Wolski, K.; Barnier, V.; Rebillat, F.; Lavigne, O.; Brossard, J.M.; Ropital, F.; Mougin, J.

2011-01-01

This book was made from the lectures given in 2010 at the thematic school on 'materials corrosion and protection at high temperatures'. It gathers the contributions from scientists and engineers coming from various communities and presents a state-of-the-art of the scientific and technological developments concerning the behaviour of materials at high temperature, in aggressive environments and in various domains (aerospace, nuclear, energy valorization, and chemical industries). It supplies pedagogical tools to grasp high temperature corrosion thanks to the understanding of oxidation mechanisms. It proposes some protection solutions for materials and structures. Content: 1 - corrosion costs; macro-economical and metallurgical approach; 2 - basic concepts of thermo-chemistry; 3 - introduction to the Calphad (calculation of phase diagrams) method; 4 - use of the thermodynamic tool: application to pack-cementation; 5 - elements of crystallography and of real solids description; 6 - diffusion in solids; 7 - notions of mechanics inside crystals; 8 - high temperature corrosion: phenomena, models, simulations; 9 - pseudo-stationary regime in heterogeneous kinetics; 10 - nucleation, growth and kinetic models; 11 - test experiments in heterogeneous kinetics; 12 - mechanical aspects of metal/oxide systems; 13 - coupling phenomena in high temperature oxidation; 14 - other corrosion types; 15 - methods of oxidized surfaces analysis at micro- and nano-scales; 16 - use of SIMS in the study of high temperature corrosion of metals and alloys; 17 - oxidation of ceramics and of ceramic matrix composite materials; 18 - protective coatings against corrosion and oxidation; 19 - high temperature corrosion in the 4. generation of nuclear reactor systems; 20 - heat exchangers corrosion in municipal waste energy valorization facilities; 21 - high temperature corrosion in oil refining and petrochemistry; 22 - high temperature corrosion in new energies industry. (J.S.)

Molecular diffusion of stable water isotopes in polar firn as a proxy for past temperatures

Science.gov (United States)

Holme, Christian; Gkinis, Vasileios; Vinther, Bo M.

2018-03-01

Polar precipitation archived in ice caps contains information on past temperature conditions. Such information can be retrieved by measuring the water isotopic signals of δ18O and δD in ice cores. These signals have been attenuated during densification due to molecular diffusion in the firn column, where the magnitude of the diffusion is isotopologue specific and temperature dependent. By utilizing the differential diffusion signal, dual isotope measurements of δ18O and δD enable multiple temperature reconstruction techniques. This study assesses how well six different methods can be used to reconstruct past surface temperatures from the diffusion-based temperature proxies. Two of the methods are based on the single diffusion lengths of δ18O and δD , three of the methods employ the differential diffusion signal, while the last uses the ratio between the single diffusion lengths. All techniques are tested on synthetic data in order to evaluate their accuracy and precision. We perform a benchmark test to thirteen high resolution Holocene data sets from Greenland and Antarctica, which represent a broad range of mean annual surface temperatures and accumulation rates. Based on the benchmark test, we comment on the accuracy and precision of the methods. Both the benchmark test and the synthetic data test demonstrate that the most precise reconstructions are obtained when using the single isotope diffusion lengths, with precisions of approximately 1.0 °C . In the benchmark test, the single isotope diffusion lengths are also found to reconstruct consistent temperatures with a root-mean-square-deviation of 0.7 °C . The techniques employing the differential diffusion signals are more uncertain, where the most precise method has a precision of 1.9 °C . The diffusion length ratio method is the least precise with a precision of 13.7 °C . The absolute temperature estimates from this method are also shown to be highly sensitive to the choice of fractionation factor

High-temperature uncertainty

International Nuclear Information System (INIS)

Timusk, T.

2005-01-01

Recent experiments reveal that the mechanism responsible for the superconducting properties of cuprate materials is even more mysterious than we thought. Two decades ago, Georg Bednorz and Alex Mueller of IBM's research laboratory in Zurich rocked the world of physics when they discovered a material that lost all resistance to electrical current at the record temperature of 36 K. Until then, superconductivity was thought to be a strictly low-temperature phenomenon that required costly refrigeration. Moreover, the IBM discovery - for which Bednorz and Mueller were awarded the 1987 Nobel Prize for Physics - was made in a ceramic copper-oxide material that nobody expected to be particularly special. Proposed applications for these 'cuprates' abounded. High-temperature superconductivity, particularly if it could be extended to room temperature, offered the promise of levitating trains, ultra-efficient power cables, and even supercomputers based on superconducting quantum interference devices. But these applications have been slow to materialize. Moreover, almost 20 years on, the physics behind this strange state of matter remains a mystery. (U.K.)

Properties of a Laser Shock Wave in Al-Cu Alloy under Elevated Temperatures: A Molecular Dynamics Simulation Study

Directory of Open Access Journals (Sweden)

Xiankai Meng

2017-01-01

Full Text Available The laser shock wave (LSW generated by the interaction between a laser and a material has been widely used in laser manufacturing, such as laser shock peening and laser shock forming. However, due to the high strain rate, the propagation of LSW in materials, especially LSW at elevated temperatures, is difficult to study through experimental methods. A molecular dynamics simulation was used in this study to investigate the propagation of LSW in an Al-Cu alloy. The Hugoniot relations of LSW were obtained at different temperatures and the effects of elevated temperatures on shock velocity and shock pressure were analyzed. Then the elastic and plastic wave of the LSW was researched. Finally, the evolution of dislocations induced by LSW and its mechanism under elevated temperatures was explored. The results indicate that the shock velocity and shock pressure induced by LSW both decrease with the increasing temperatures. Moreover, the velocity of elastic wave and plastic wave both decrease with the increasing treatment temperature, while their difference decreases as the temperature increases. Moreover, the dislocation atoms increases with the increasing temperatures before 2 ps, while it decreases with the increasing temperatures after 2 ps. The reason for the results is related to the formation and evolution of extended dislocations.

RPC operation at high temperature

CERN Document Server

Aielli, G; Cardarelli, R; Di Ciaccio, A; Di Stante, L; Liberti, B; Paoloni, A; Pastori, E; Santonico, R

2003-01-01

The resistive electrodes of RPCs utilised in several current experiments (ATLAS, CMS, ALICE, BABAR and ARGO) are made of phenolic /melaminic polymers, with room temperature resistivities ranging from 10**1**0 Omega cm, for high rate operation in avalanche mode, to 5 multiplied by 10**1**1 Omega cm, for streamer mode operation at low rate. The resistivity has however a strong temperature dependence, decreasing exponentially with increasing temperature. We have tested several RPCs with different electrode resistivities in avalanche as well as in streamer mode operation. The behaviours of the operating current and of the counting rate have been studied at different temperatures. Long-term operation has also been studied at T = 45 degree C and 35 degree C, respectively, for high and low resistivity electrodes RPCs.

Characteristics of liquid product from the pyrolysis of waste plastic mixture at low and high temperatures: Influence of lapse time of reaction

International Nuclear Information System (INIS)

Lee, Kyong-Hwan; Shin, Dae-Hyun

2007-01-01

Pyrolysis of a waste plastic mixture (high-density polyethylene: low-density polyethylene: polypropylene: polystyrene = 3:2:3:1) into a liquid product was carried out in a stirred semi-batch reactor at low (350 deg. C) and high (400 deg. C) temperatures. The effect of lapse time of reaction in the reactor and also degradation temperature on the characteristics of the liquid product from pyrolysis of the mixture was investigated. Liquid products were described by cumulative amount distribution, paraffin, olefin, naphthene and aromatic (PONA) distribution and molecular weight distribution. Their characteristic was quite differed with a lapse time of reaction and also at a low and high degradation temperatures, because of the different physicochemical properties of the plastic types in the mixture. With increase of lapse time of reaction, the order for the main products in PONA components obtained at 350 deg. C was firstly aromatic products and then olefin products, while at 400 deg. C the order was firstly aromatic products, then olefin products and finally paraffin products. The experiments also showed from the molecular weight distribution of liquid PONA components that the paraffin and olefin products had a wide distribution by mainly random scission of polymer, but in the case of olefin products were produced by an end-chain scission mechanism as well as random scission mechanism, as evidenced by much more light olefin products. This phenomenon was evident at a higher degradation temperature. Also, both the light olefin and naphthene products with a molecular weight of around 120, as a main product, showed a similar trend as a function of lapse time, which had a maximum fraction at 343 min (at 350 deg. C) and 83 min (at 400 deg. C). Among PONA components, the highest concentrations of aromatic products were obtained with a molecular weight of around 100 at the fastest lapse time of reaction, regardless of degradation temperature. It was concluded that the

Characteristics of liquid product from the pyrolysis of waste plastic mixture at low and high temperatures: influence of lapse time of reaction.

Science.gov (United States)

Lee, Kyong-Hwan; Shin, Dae-Hyun

2007-01-01

Pyrolysis of a waste plastic mixture (high-density polyethylene: low-density polyethylene: polypropylene: polystyrene = 3:2:3:1) into a liquid product was carried out in a stirred semi-batch reactor at low (350 degrees C) and high (400 degrees C) temperatures. The effect of lapse time of reaction in the reactor and also degradation temperature on the characteristics of the liquid product from pyrolysis of the mixture was investigated. Liquid products were described by cumulative amount distribution, paraffin, olefin, naphthene and aromatic (PONA) distribution and molecular weight distribution. Their characteristic was quite differed with a lapse time of reaction and also at a low and high degradation temperatures, because of the different physicochemical properties of the plastic types in the mixture. With increase of lapse time of reaction, the order for the main products in PONA components obtained at 350 degrees C was firstly aromatic products and then olefin products, while at 400 degrees C the order was firstly aromatic products, then olefin products and finally paraffin products. The experiments also showed from the molecular weight distribution of liquid PONA components that the paraffin and olefin products had a wide distribution by mainly random scission of polymer, but in the case of olefin products were produced by an end-chain scission mechanism as well as random scission mechanism, as evidenced by much more light olefin products. This phenomenon was evident at a higher degradation temperature. Also, both the light olefin and naphthene products with a molecular weight of around 120, as a main product, showed a similar trend as a function of lapse time, which had a maximum fraction at 343 min (at 350 degrees C) and 83 min (at 400 degrees C). Among PONA components, the highest concentrations of aromatic products were obtained with a molecular weight of around 100 at the fastest lapse time of reaction, regardless of degradation temperature. It was

HYFIRE: a tokamak/high-temperature electrolysis system

International Nuclear Information System (INIS)

Fillo, J.A.; Powell, J.P.; Benenati, R.; Varljen, T.C.; Chi, J.W.H.; Karbowski, J.S.

1981-01-01

The HYFIRE studies to date have investigated a number of technical approaches for using the thermal energy produced in a high-temperature Tokamak blanket to provide the electrical and thermal energy required to drive a high-temperature (> 1000 0 C) water electrolysis process. Current emphasis is on two design points, one consistent with electrolyzer peak inlet temperatures of 1400 0 C, which is an extrapolation of present experience, and one consistent with a peak electrolyzer temperature of 1100 0 C. This latter condition is based on current laboratory experience with high-temperature solid electrolyte fuel cells. Our major conclusion to date is that the technical integration of fusion and high-temperature electrolysis appears to be feasible and that overall hydrogen production efficiencies of 50 to 55% seem possible

High temperature phase equilibria and phase diagrams

CERN Document Server

Kuo, Chu-Kun; Yan, Dong-Sheng

2013-01-01

High temperature phase equilibria studies play an increasingly important role in materials science and engineering. It is especially significant in the research into the properties of the material and the ways in which they can be improved. This is achieved by observing equilibrium and by examining the phase relationships at high temperature. The study of high temperature phase diagrams of nonmetallic systems began in the early 1900s when silica and mineral systems containing silica were focussed upon. Since then technical ceramics emerged and more emphasis has been placed on high temperature

Borehole Stability in High-Temperature Formations

Science.gov (United States)

Yan, Chuanliang; Deng, Jingen; Yu, Baohua; Li, Wenliang; Chen, Zijian; Hu, Lianbo; Li, Yang

2014-11-01

In oil and gas drilling or geothermal well drilling, the temperature difference between the drilling fluid and formation will lead to an apparent temperature change around the borehole, which will influence the stress state around the borehole and tend to cause borehole instability in high geothermal gradient formations. The thermal effect is usually not considered as a factor in most of the conventional borehole stability models. In this research, in order to solve the borehole instability in high-temperature formations, a calculation model of the temperature field around the borehole during drilling is established. The effects of drilling fluid circulation, drilling fluid density, and mud displacement on the temperature field are analyzed. Besides these effects, the effect of temperature change on the stress around the borehole is analyzed based on thermoelasticity theory. In addition, the relationships between temperature and strength of four types of rocks are respectively established based on experimental results, and thermal expansion coefficients are also tested. On this basis, a borehole stability model is established considering thermal effects and the effect of temperature change on borehole stability is also analyzed. The results show that the fracture pressure and collapse pressure will both increase as the temperature of borehole rises, and vice versa. The fracture pressure is more sensitive to temperature. Temperature has different effects on collapse pressures due to different lithological characters; however, the variation of fracture pressure is unrelated to lithology. The research results can provide a reference for the design of drilling fluid density in high-temperature wells.

Ion filter for high temperature cleaning

International Nuclear Information System (INIS)

Kutomi, Yasuhiro; Nakamori, Masaharu.

1994-01-01

A porous ceramic pipe mainly comprising alumina is used as a base pipe, and then crud and radioactive ion adsorbing materials in high temperature and high pressure water mainly comprising a FeTiO 3 compound are flame-coated on the outer surface thereof to a film thickness of about 100 to 300μ m as an aimed value by an acetylene flame-coating method. The flame-coated FeTiO 3 layer is also porous, so that high temperature and high pressure water to be cleaned can pass through from the inside to the outside of the pipe. Cruds can be removed and radioactive ions can be adsorbed during passage. Since all the operations can be conducted at high temperature and high pressure state, cooling is no more necessary for the high temperature and high pressure water to be cleaned, heat efficiency of the plant can be improved and a cooling facility can be saved. Further, since the flame-coating of FeTiO 3 to the porous ceramic pipe can be conducted extremely easily compared with production of a sintering product, cost for the production of filter elements can be saved remarkably. (T.M.)

Subcellular proteomic characterization of the high-temperature stress response of the cyanobacterium Spirulina platensis

Directory of Open Access Journals (Sweden)

Cheevadhanarak Supapon

2009-09-01

Full Text Available Abstract The present study examined the changes in protein expression in Spirulina platensis upon exposure to high temperature, with the changes in expression analyzed at the subcellular level. In addition, the transcriptional expression level of some differentially expressed proteins, the expression pattern clustering, and the protein-protein interaction network were analyzed. The results obtained from differential expression analysis revealed up-regulation of proteins involved in two-component response systems, DNA damage and repair systems, molecular chaperones, known stress-related proteins, and proteins involved in other biological processes, such as capsule formation and unsaturated fatty acid biosynthesis. The clustering of all differentially expressed proteins in the three cellular compartments showed: (i the majority of the proteins in all fractions were sustained tolerance proteins, suggesting the roles of these proteins in the tolerance to high temperature stress, (ii the level of resistance proteins in the photosynthetic membrane was 2-fold higher than the level in two other fractions, correlating with the rapid inactivation of the photosynthetic system in response to high temperature. Subcellular communication among the three cellular compartments via protein-protein interactions was clearly shown by the PPI network analysis. Furthermore, this analysis also showed a connection between temperature stress and nitrogen and ammonia assimilation.

High temperature fusion reactor design

International Nuclear Information System (INIS)

Harkness, S.D.; dePaz, J.F.; Gohar, M.Y.; Stevens, H.C.

1979-01-01

Fusion energy may have unique advantages over other systems as a source for high temperature process heat. A conceptual design of a blanket for a 7 m tokamak reactor has been developed that is capable of producing 1100 0 C process heat at a pressure of approximately 10 atmospheres. The design is based on the use of a falling bed of MgO spheres as the high temperature heat transfer system. By preheating the spheres with energy taken from the low temperature tritium breeding part of the blanket, 1086 MW of energy can be generated at 1100 0 C from a system that produces 3000 MW of total energy while sustaining a tritium breeding ratio of 1.07. The tritium breeding is accomplished using Li 2 O modules both in front of (6 cm thick) and behind (50 cm thick) the high temperature ducts. Steam is used as the first wall and front tritium breeding module coolant while helium is used in the rear tritium breeding region. The system produces 600 MW of net electricity for use on the grid

High temperature divertor plasma operation

International Nuclear Information System (INIS)

Ohyabu, Nobuyoshi.

1991-02-01

High temperature divertor plasma operation has been proposed, which is expected to enhance the core energy confinement and eliminates the heat removal problem. In this approach, the heat flux is guided through divertor channel to a remote area with a large target surface, resulting in low heat load on the target plate. This allows pumping of the particles escaping from the core and hence maintaining of the high divertor temperature, which is comparable to the core temperature. The energy confinement is then determined by the diffusion coefficient of the core plasma, which has been observed to be much lower than the thermal diffusivity. (author)

Surfactant-Free RAFT Emulsion Polymerization of Styrene Using Thermoresponsive macroRAFT Agents: Towards Smart Well-Defined Block Copolymers with High Molecular Weights

Directory of Open Access Journals (Sweden)

Steffen Eggers

2017-12-01

Full Text Available The combination of reversible addition–fragmentation chain transfer (RAFT and emulsion polymerization has recently attracted much attention as a synthetic tool for high-molecular-weight block copolymers and their micellar nano-objects. Up to recently, though, the use of thermoresponsive polymers as both macroRAFT agents and latex stabilizers was impossible in aqueous media due to their hydrophobicity at the usually high polymerization temperatures. In this work, we present a straightforward surfactant-free RAFT emulsion polymerization to obtain thermoresponsive styrenic block copolymers with molecular weights of around 100 kDa and their well-defined latexes. The stability of the aqueous latexes is achieved by adding 20 vol % of the cosolvent 1,4-dioxane (DOX, increasing the phase transition temperature (PTT of the used thermoresponsive poly(N-acryloylpyrrolidine (PAPy macroRAFT agents above the polymerization temperature. Furthermore, this cosolvent approach is combined with the use of poly(N,N-dimethylacrylamide-block-poly(N-acryloylpiperidine-co-N-acryloylpyrrolidine (PDMA-b-P(APi-co-APy as the macroRAFT agent owning a short stabilizing PDMA end block and a widely adjustable PTT of the P(APi-co-APy block in between 4 and 47 °C. The temperature-induced collapse of the latter under emulsion polymerization conditions leads to the formation of RAFT nanoreactors, which allows for a very fast chain growth of the polystyrene (PS block. In dynamic light scattering (DLS, as well as cryo-transmission electron microscopy (cryoTEM, moreover, all created latexes indeed reveal a high (temperature stability and a reversible collapse of the thermoresponsive coronal block upon heating. Hence, this paper pioneers a versatile way towards amphiphilic thermoresponsive high-molecular-weight block copolymers and their nano-objects with tailored corona switchability.

High-temperature spreading kinetics of metals

Energy Technology Data Exchange (ETDEWEB)

Rauch, N.

2005-05-15

In this PhD work a drop transfer setup combined with high speed photography has been used to analyze the spreading of Ag on polished polycrystalline Mo and single crystalline Mo (110) and (100) substrates. The objective of this work was to unveil the basic phenomena controlling spreading in metal-metal systems. The observed spreading kinetics were compared with current theories of low and high temperature spreading such as a molecular kinetic model and a fluid flow model. Analyses of the data reveal that the molecular model does describe the fastest velocity data well for all the investigated systems. Therefore, the energy which is dissipated during the spreading process is a dissipation at the triple line rather than dissipation due to the viscosity in the liquid. A comparison of the determined free activation energy for wetting of {delta}G95{approx}145kJ/mol with literature values allows the statement that the rate determining step seems to be a surface diffusion of the Ag atoms along the triple line. In order to investigate possible ridge formation, due to local atomic diffusion of atoms of the substrate at the triple during the spreading process, grooving experiments of the polycrystalline Mo were performed to calculate the surface diffusities that will control ridge evolution. The analyses of this work showed that a ridge formation at the fastest reported wetting velocities was not possible if there is no initial perturbation for a ridge. If there was an initial perturbation for a ridge the ridge had to be much smaller than 1 nm in order to be able to move with the liquid font. Therefore ridge formation does not influence the spreading kinetics for the studied system and the chosen conditions. SEM, AFM and TEM investigations of the triple line showed that ridge formation does also not occur at the end of the wetting experiment when the drop is close to equilibrium and the wetting velocity is slow. (orig.)

High Temperature Operational Experiences of Helium Experimental Loop

International Nuclear Information System (INIS)

Kim, Chan Soo; Hong, Sung-Deok; Kim, Eung-Seon; Kim, Min Hwan

2015-01-01

The development of high temperature components of VHTR is very important because of its higher operation temperature than that of a common light water reactor and high pressure industrial process. The development of high temperature components requires the large helium loop. Many countries have high temperature helium loops or a plan for its construction. Table 1 shows various international state-of-the-art of high temperature and high pressure gas loops. HELP performance test results show that there is no problem in operation of HELP at the very high temperature experimental condition. These experimental results also provide the basic information for very high temperature operation with bench-scale intermediate heat exchanger prototype in HELP. In the future, various heat exchanger tests will give us the experimental data for GAMMA+ validation about transient T/H behavior of the IHX prototype and the optimization of the working fluid in the intermediate loop

Molecular dynamics calculation of thermophysical properties for a highly reactive liquid.

Science.gov (United States)

Wang, H P; Luo, B C; Wei, B

2008-10-01

In order to further understand the physical characteristics of liquid silicon, the thermophysical properties are required over a broad temperature range. However, its high reactivity brings about great difficulties in the experimental measurement. Here we report the thermophysical properties by molecular dynamics calculation, including density, specific heat, diffusion coefficient, and surface tension. The calculation is performed with a system consisting of 64,000 atoms, and employing the Stillinger-Weber (SW) potential model and the modified embedded atom method (MEAM) potential model. The results show that the density increases as a quadratic function of undercooling, and the value calculated by SW potential model is only 2-4 % smaller than the reported experimental data. The specific heat is obtained to be 30.95 J mol;{-1}K;{-1} by SW potential model and 32.50 J mol;{-1}K;{-1} by MEAM potential model, both of which are constants in the corresponding ranges of temperature. The self-diffusion coefficient is exponentially dependent on the temperature and consistent with the Arrhenius equation. The surface tension increases linearly with the rise of undercooling and agrees well with the reported experimental results. This work provides reasonable data in much wider temperature range, especially for the undercooled metastable state.

High-pressure high-temperature phase diagram of organic crystal paracetamol

Science.gov (United States)

Smith, Spencer J.; Montgomery, Jeffrey M.; Vohra, Yogesh K.

2016-01-01

High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped heating diamond anvil. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in five different experiments. Solid state phase transitions from monoclinic Form I  →  orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II  →  unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. This new data is combined with previous ambient temperature high-pressure Raman and x-ray diffraction data to create the first HPHT phase diagram of paracetamol.

High-pressure high-temperature phase diagram of organic crystal paracetamol

International Nuclear Information System (INIS)

Smith, Spencer J; Montgomery, Jeffrey M; Vohra, Yogesh K

2016-01-01

High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped heating diamond anvil. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in five different experiments. Solid state phase transitions from monoclinic Form I  →  orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II  →  unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. This new data is combined with previous ambient temperature high-pressure Raman and x-ray diffraction data to create the first HPHT phase diagram of paracetamol. (paper)

"Green" High-Temperature Polymers

Science.gov (United States)

Meador, Michael A.

1998-01-01

PMR-15 is a processable, high-temperature polymer developed at the NASA Lewis Research Center in the 1970's principally for aeropropulsion applications. Use of fiber-reinforced polymer matrix composites in these applications can lead to substantial weight savings, thereby leading to improved fuel economy, increased passenger and payload capacity, and better maneuverability. PMR-15 is used fairly extensively in military and commercial aircraft engines components seeing service temperatures as high as 500 F (260 C), such as the outer bypass duct for the F-404 engine. The current world-wide market for PMR-15 materials (resins, adhesives, and composites) is on the order of $6 to 10 million annually.

High temperature alloys and ceramic heat exchanger

International Nuclear Information System (INIS)

Okamoto, Masaharu

1984-04-01

From the standpoint of energy saving, the future operating temperatures of process heat and gas turbine plants will become higher. For this purpose, ceramics is the most promissing candidate material in strength for application to high-temperature heat exchangers. This report deals with a servey of characteristics of several high-temperature metallic materials and ceramics as temperature-resistant materials; including a servey of the state-of-the-art of ceramic heat exchanger technologies developed outside of Japan, and a study of their application to the intermediate heat exchanger of VHTR (a very-high-temperature gas-cooled reactor). (author)

Glass transition temperature of PMMA/modified alumina nanocomposite: Molecular dynamic study

OpenAIRE

Mohammadi, Maryam; Davoodi, Jamal; Javanbakht, Mahdi; Rezaei, Hamidreza

2017-01-01

In this study, the effect of alumina and modified alumina nanoparticles in a PMMA/alumina nanocomposite was investigated. To attain this goal, the glass transition behavior of poly methyl methacrylate (PMMA), PMMA/alumina and PMMA/hydroxylated alumina nanocomposites were investigated by molecular dynamic simulations (MD). All the MD simulations were performed using the Materials Studio 6.0 software package of Accelrys. To obtain the glass transition temperature, the variation of density vs. t...

Linking temperature sensitivity of soil organic matter decomposition to its molecular structure, accessibility, and microbial physiology.

Science.gov (United States)

Wagai, Rota; Kishimoto-Mo, Ayaka W; Yonemura, Seiichiro; Shirato, Yasuhito; Hiradate, Syuntaro; Yagasaki, Yasumi

2013-04-01

Temperature sensitivity of soil organic matter (SOM) decomposition may have a significant impact on global warming. Enzyme-kinetic hypothesis suggests that decomposition of low-quality substrate (recalcitrant molecular structure) requires higher activation energy and thus has greater temperature sensitivity than that of high-quality, labile substrate. Supporting evidence, however, relies largely on indirect indices of substrate quality. Furthermore, the enzyme-substrate reactions that drive decomposition may be regulated by microbial physiology and/or constrained by protective effects of soil mineral matrix. We thus tested the kinetic hypothesis by directly assessing the carbon molecular structure of low-density fraction (LF) which represents readily accessible, mineral-free SOM pool. Using five mineral soil samples of contrasting SOM concentrations, we conducted 30-days incubations (15, 25, and 35 °C) to measure microbial respiration and quantified easily soluble C as well as microbial biomass C pools before and after the incubations. Carbon structure of LFs (soil was measured by solid-state (13) C-NMR. Decomposition Q10 was significantly correlated with the abundance of aromatic plus alkyl-C relative to O-alkyl-C groups in LFs but not in bulk soil fraction or with the indirect C quality indices based on microbial respiration or biomass. The warming did not significantly change the concentration of biomass C or the three types of soluble C despite two- to three-fold increase in respiration. Thus, enhanced microbial maintenance respiration (reduced C-use efficiency) especially in the soils rich in recalcitrant LF might lead to the apparent equilibrium between SOM solubilization and microbial C uptake. Our results showed physical fractionation coupled with direct assessment of molecular structure as an effective approach and supported the enzyme-kinetic interpretation of widely observed C quality-temperature relationship for short-term decomposition. Factors

Inter-cluster coupling effects in high-spin molecular magnets

International Nuclear Information System (INIS)

Affronte, M.; Lasjaunias, J.C.; Wernsdorfer, W.; Sessoli, R.; Gatteschi, D.; Heath, S.L.; Fort, A.; Rettori, A.

2004-01-01

We report evidences of antiferromagnetic (AF) transition in Fe 19 metheidi, a new molecular nanomagnet with a total spin S=((33)/(2)), among the highest known so far. The temperature (T) dependence of specific heat (C) shows a λ-anomaly at 1.19 K and at the same temperature an anomaly is also observed in the low field (B<0.12 T) magnetization M-vs.-T curves. Since the dipolar interaction between clusters is estimated to be ∼190 mK, the origin of the AF transition is probably due to superexchange

Inter-cluster coupling effects in high-spin molecular magnets

Energy Technology Data Exchange (ETDEWEB)

Affronte, M.; Lasjaunias, J.C.; Wernsdorfer, W.; Sessoli, R.; Gatteschi, D.; Heath, S.L.; Fort, A. E-mail: fort@fi.infn.it; Rettori, A

2004-05-01

We report evidences of antiferromagnetic (AF) transition in Fe{sub 19}metheidi, a new molecular nanomagnet with a total spin S=((33)/(2)), among the highest known so far. The temperature (T) dependence of specific heat (C) shows a {lambda}-anomaly at 1.19 K and at the same temperature an anomaly is also observed in the low field (B<0.12 T) magnetization M-vs.-T curves. Since the dipolar interaction between clusters is estimated to be {approx}190 mK, the origin of the AF transition is probably due to superexchange.

High temperature superconductor accelerator magnets

NARCIS (Netherlands)

van Nugteren, J.

2016-01-01

For future particle accelerators bending dipoles are considered with magnetic fields exceeding 20T. This can only be achieved using high temperature superconductors (HTS). These exhibit different properties from classical low temperature superconductors and still require significant research and

High- and low-molecular-mass microbial surfactants.

Science.gov (United States)

Rosenberg, E; Ron, E Z

1999-08-01

Microorganisms synthesize a wide variety of high- and low-molecular-mass bioemulsifiers. The low-molecular-mass bioemulsifiers are generally glycolipids, such as trehalose lipids, sophorolipids and rhamnolipids, or lipopeptides, such as surfactin, gramicidin S and polymyxin. The high-molecular-mass bioemulsifiers are amphipathic polysaccharides, proteins, lipopolysaccharides, lipoproteins or complex mixtures of these biopolymers. The low-molecular-mass bioemulsifiers lower surface and interfacial tensions, whereas the higher-molecular-mass bioemulsifiers are more effective at stabilizing oil-in-water emulsions. Three natural roles for bioemulsifiers have been proposed: (i) increasing the surface area of hydrophobic water-insoluble growth substrates; (ii) increasing the bioavailability of hydrophobic substrates by increasing their apparent solubility or desorbing them from surfaces; (iii) regulating the attachment and detachment of microorganisms to and from surfaces. Bioemulsifiers have several important advantages over chemical surfactants, which should allow them to become prominent in industrial and environmental applications. The potential commercial applications of bioemulsifiers include bioremediation of oil-polluted soil and water, enhanced oil recovery, replacement of chlorinated solvents used in cleaning-up oil-contaminated pipes, vessels and machinery, use in the detergent industry, formulations of herbicides and pesticides and formation of stable oil-in-water emulsions for the food and cosmetic industries.

Substrate temperature dependence of ZnTe epilayers grown on GaAs(0 0 1) by molecular beam epitaxy

Science.gov (United States)

Zhao, Jie; Zeng, Yiping; Liu, Chao; Li, Yanbo

2010-04-01

ZnTe thin films have been grown on GaAs(0 0 1) substrates at different temperatures with constant Zn and Te beam equivalent pressures (BEPs) by molecular beam epitaxy (MBE). In situ reflection high-energy electron diffraction (RHEED) observation indicates that two-dimensional (2D) growth mode can be established after around one-minute three-dimensional (3D) nucleation by increasing the substrate temperature to 340 °C. We found that Zn desorption from the ZnTe surface is much greater than that of Te at higher temperatures, and estimated the Zn sticking coefficient by the evolution of growth rate. The Zn sticking coefficient decreases from 0.93 to 0.58 as the temperature is elevated from 320 to 400 °C. The ZnTe epilayer grown at 360 °C displays the narrowest full-width at half-maximum (FWHM) of 660 arcsec from (0 0 4) reflection in double-crystal X-ray rocking curve (DCXRC) measurements. The surface morphology of ZnTe epilayers is strongly dependent on the substrate temperature, and the root-mean-square (RMS) roughness diminishes drastically with the increase in temperature.

Development of VHTR high temperature piping in KHI

International Nuclear Information System (INIS)

Suzuki, Nobuhiro; Takano, Shiro

1981-01-01

The high temperature pipings used for multi-purpose high temperature gas-cooled reactors are the internally insulated pipings for transporting high temperature, high pressure helium at 1000 deg C and 40 kgf/cm 2 , and the influences exerted by their performance as well as safety to the plants are very large. Kawasaki Heavy Industries, Ltd., has engaged in the development of the high temperature pipings for VHTRs for years. In this report, the progress of the development, the test carried out recently and the problems for future are described. KHI manufactured and is constructing a heater and internally insulated helium pipings for the large, high temperature structure testing loop constructed by Japan Atomic Energy Research Institute. The design concept for the high temperature pipings is to separate the temperature boundary and the pressure boundary, therefore, the double walled construction with internal heat insulation was adopted. The requirements for the high temperature pipings are to prevent natural convection, to prevent bypass flow, to minimize radiation heat transfer and to reduce heat leak through insulator supporters. The heat insulator is composed of two layers, metal laminate insulator and fiber insulator of alumina-silica. The present state of development of the high temperature pipings for VHTRs is reported. (Kako, I.)

Prediction of temperature-insensitive molecular absorption lines in laser-assisted combustion diagnostics

International Nuclear Information System (INIS)

Walewski, Joachim W.; Elmqvist, Anders

2005-01-01

In laser-assisted combustion diagnostics it is a recurring task to predict molecular transitions whose signal strength depends only weakly on variations in temperature. The signal strength is proportional to the Boltzmann fraction of the level probed and the amplitude of the absorption line profile. In the past investigations have been presented in which this task was attack by detailed numerical calculations of the temperature dependence of pertinent physical properties of the molecule. Another widely applied approach relies on an analytical formula for the Boltzmann fraction of hetero-nuclear diatomic molecules and the neglect of line shape effects. The analytical approach experiences a continuing popularity in laser-assisted combustion diagnostics, which is why we compared both approaches with each other. The objective of this comparison was to assess the accuracy of the analytical approach and to reveal its potential pitfalls. Our comparison revealed that the analytical approach suffers from mediocre accuracy, which makes it unfit for practical applications. One cause is the neglect of higher lying vibrational levels, which show a non-negligible population for typical flame temperatures. Another reason is the neglect of fine structure splitting in molecules with non-zero orbit angular momentum in the ground state. Another reason for the observed inaccuracy is the neglect of line shape effects quenching, which were found to have a significant effect on the temperature sensitivity of a line. Because of its insufficient accuracy due to both oversimplified models of the molecular energy levels and the neglect of line shape effects and quenching we discourage from applying the analytical approach and recommend the use of detailed numerical approaches that are free of the above limitations

Temperature-dependent mechanical properties of single-layer molybdenum disulphide: Molecular dynamics nanoindentation simulations

Energy Technology Data Exchange (ETDEWEB)

Zhao, Junhua, E-mail: junhua.zhao@uni-weimar.de [Jiangsu Province Key Laboratory of Advanced Manufacturing Equipment and Technology of Food, Jiangnan University, 214122 Wuxi (China); Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Jiang, Jin-Wu, E-mail: jwjiang5918@hotmail.com [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); Rabczuk, Timon, E-mail: timon.rabczuk@uni-weimar.de [Institute of Structural Mechanics, Bauhaus-University Weimar, 99423 Weimar (Germany); School of Civil, Environmental and Architectural Engineering, Korea University, 136-701 Seoul (Korea, Republic of)

2013-12-02

The temperature-dependent mechanical properties of single-layer molybdenum disulphide (MoS{sub 2}) are obtained using molecular dynamics (MD) nanoindentation simulations. The Young's moduli, maximum load stress, and maximum loading strain decrease with increasing temperature from 4.2 K to 500 K. The obtained Young's moduli are in good agreement with those using our MD uniaxial tension simulations and the available experimental results. The tendency of maximum loading strain with different temperature is opposite with that of metal materials due to the short range Stillinger-Weber potentials in MoS{sub 2}. Furthermore, the indenter tip radius and fitting strain effect on the mechanical properties are also discussed.

Mechanism of high-temperature resistant water-base mud

Energy Technology Data Exchange (ETDEWEB)

Luo, P

1981-01-01

Based on experiments, the causes and laws governing the changes in the performance of water-base mud under high temperature are analyzed, and the requisites and mechanism of treating agents resisting high temperature are discussed. Ways and means are sought for inhibiting, delaying and making use of the effect of high temperature on the performance of mud, while new ideas and systematic views have been expressed on the preparation of treating agents and set-up of a high temperature resistant water-base mud system. High temperature dispersion and high temperature surface inactivation of clay in the mud, as well as their effect and method of utilization are reviewed. Subjects also touched upon include degradation and cross-linking of the high-temperature resistant treating agents, their use and effect. Based on the above, the preparation of a water-base and system capable of resisting 180 to 250/sup 0/C is recommended.

CDSD-4000: High-resolution, high-temperature carbon dioxide spectroscopic databank

International Nuclear Information System (INIS)

Tashkun, S.A.; Perevalov, V.I.

2011-01-01

We present a high-resolution, high-temperature version of the Carbon Dioxide Spectroscopic Databank called CDSD-4000. The databank contains the line parameters (positions, intensities, air- and self-broadened half-widths, coefficients of temperature dependence of air- and self-broadened half-widths, and air-broadened pressure shifts) of the four most abundant isotopologues of CO 2 . A reference temperature is 296 K and an intensity cutoff is 10 -27 cm -1 /molecule cm -2 at 4000 K. The databank has 628,324,454 entries, covers the 226-8310 cm -1 spectral range and designed for the temperature range 2500-5000 K. Format of CDSD-4000 is similar to that of HITRAN-2008. The databank has been generated within the framework of the method of effective operators and based on the global fittings of spectroscopic parameters (parameters of the effective Hamiltonians and effective dipole moment operators) to observed data collected from the literature. The databank is useful for studying high-temperature radiative properties of CO 2 , including exoplanets atmospheres, aerothemal modeling for Mars entry missions, high-temperature laboratory spectra, and industrial applications. CDSD-4000 is freely accessible via the Internet site (ftp://ftp.iao.ru/pub/CDSD-4000).

Gasification of high ash, high ash fusion temperature bituminous coals

Science.gov (United States)

Liu, Guohai; Vimalchand, Pannalal; Peng, WanWang

2015-11-13

This invention relates to gasification of high ash bituminous coals that have high ash fusion temperatures. The ash content can be in 15 to 45 weight percent range and ash fusion temperatures can be in 1150.degree. C. to 1500.degree. C. range as well as in excess of 1500.degree. C. In a preferred embodiment, such coals are dealt with a two stage gasification process--a relatively low temperature primary gasification step in a circulating fluidized bed transport gasifier followed by a high temperature partial oxidation step of residual char carbon and small quantities of tar. The system to process such coals further includes an internally circulating fluidized bed to effectively cool the high temperature syngas with the aid of an inert media and without the syngas contacting the heat transfer surfaces. A cyclone downstream of the syngas cooler, operating at relatively low temperatures, effectively reduces loading to a dust filtration unit. Nearly dust- and tar-free syngas for chemicals production or power generation and with over 90%, and preferably over about 98%, overall carbon conversion can be achieved with the preferred process, apparatus and methods outlined in this invention.

Solubility of crystalline organic compounds in high and low molecular weight amorphous matrices above and below the glass transition by zero enthalpy extrapolation.

Science.gov (United States)

Amharar, Youness; Curtin, Vincent; Gallagher, Kieran H; Healy, Anne Marie

2014-09-10

Pharmaceutical applications which require knowledge of the solubility of a crystalline compound in an amorphous matrix are abundant in the literature. Several methods that allow the determination of such data have been reported, but so far have only been applicable to amorphous polymers above the glass transition of the resulting composites. The current work presents, for the first time, a reliable method for the determination of the solubility of crystalline pharmaceutical compounds in high and low molecular weight amorphous matrices at the glass transition and at room temperature (i.e. below the glass transition temperature), respectively. The solubilities of mannitol and indomethacin in polyvinyl pyrrolidone (PVP) K15 and PVP K25, respectively were measured at different temperatures. Mixtures of undissolved crystalline solute and saturated amorphous phase were obtained by annealing at a given temperature. The solubility at this temperature was then obtained by measuring the melting enthalpy of the crystalline phase, plotting it as a function of composition and extrapolating to zero enthalpy. This new method yielded results in accordance with the predictions reported in the literature. The method was also adapted for the measurement of the solubility of crystalline low molecular weight excipients in amorphous active pharmaceutical ingredients (APIs). The solubility of mannitol, glutaric acid and adipic acid in both indomethacin and sulfadimidine was experimentally determined and successfully compared with the difference between their respective calculated Hildebrand solubility parameters. As expected from the calculations, the dicarboxylic acids exhibited a high solubility in both amorphous indomethacin and sulfadimidine, whereas mannitol was almost insoluble in the same amorphous phases at room temperature. This work constitutes the first report of the methodology for determining an experimentally measured solubility for a low molecular weight crystalline solute

High-temperature superconducting conductors and cables

International Nuclear Information System (INIS)

Peterson, D.E.; Maley, M.P.; Boulaevskii, L.; Willis, J.O.; Coulter, J.Y.; Ullmann, J.L.; Cho, Jin; Fleshler, S.

1996-01-01

This is the final report of a 3-year LDRD project at LANL. High-temperature superconductivity (HTS) promises more efficient and powerful electrical devices such as motors, generators, and power transmission cables; however this depends on developing HTS conductors that sustain high current densities J c in high magnetic fields at temperatures near liq. N2's bp. Our early work concentrated on Cu oxides but at present, long wire and tape conductors can be best made from BSCCO compounds with high J c at low temperatures, but which are degraded severely at temperatures of interest. This problem is associated with thermally activated motion of magnetic flux lines in BSCCO. Reducing these dc losses at higher temperatures will require a high density of microscopic defects that will pin flux lines and inhibit their motion. Recently it was shown that optimum defects can be produced by small tracks formed by passage of energetic heavy ions. Such defects result when Bi is bombarded with high energy protons. The longer range of protons in matter suggests the possibility of application to tape conductors. AC losses are a major limitation in many applications of superconductivity such as power transmission. The improved pinning of flux lines reduces ac losses, but optimization also involves other factors. Measuring and characterizing these losses with respect to material parameters and conductor design is essential to successful development of ac devices

Technology development for high temperature logging tools

Energy Technology Data Exchange (ETDEWEB)

Veneruso, A.F.; Coquat, J.A.

1979-01-01

A set of prototype, high temperature logging tools (temperature, pressure and flow) were tested successfully to temperatures up to 275/sup 0/C in a Union geothermal well during November 1978 as part of the Geothermal Logging Instrumentation Development Program. This program is being conducted by Sandia Laboratories for the Department of Energy's Division of Geothermal Energy. The progress and plans of this industry based program to develop and apply the high temperature instrumentation technology needed to make reliable geothermal borehole measurements are described. Specifically, this program is upgrading existing sondes for improved high temperature performance, as well as applying new materials (elastomers, polymers, metals and ceramics) and developing component technology such as high temperature cables, cableheads and electronics to make borehole measurements such as formation temperature, flow rate, high resolution pressure and fracture mapping. In order to satisfy critical existing needs, the near term goal is for operation up to 275/sup 0/C and 7000 psi by the end of FY80. The long term goal is for operation up to 350/sup 0/C and 20,000 psi by the end of FY84.

Dynamic High-Temperature Characterization of an Iridium Alloy in Compression at High Strain Rates

Energy Technology Data Exchange (ETDEWEB)

Song, Bo [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Experimental Environment Simulation Dept.; Nelson, Kevin [Sandia National Lab. (SNL-CA), Livermore, CA (United States). Mechanics of Materials Dept.; Lipinski, Ronald J. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Advanced Nuclear Fuel Cycle Technology Dept.; Bignell, John L. [Sandia National Lab. (SNL-NM), Albuquerque, NM (United States). Structural and Thermal Analysis Dept.; Ulrich, G. B. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Radioisotope Power Systems Program; George, E. P. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Radioisotope Power Systems Program

2014-06-01

Iridium alloys have superior strength and ductility at elevated temperatures, making them useful as structural materials for certain high-temperature applications. However, experimental data on their high-temperature high-strain-rate performance are needed for understanding high-speed impacts in severe elevated-temperature environments. Kolsky bars (also called split Hopkinson bars) have been extensively employed for high-strain-rate characterization of materials at room temperature, but it has been challenging to adapt them for the measurement of dynamic properties at high temperatures. Current high-temperature Kolsky compression bar techniques are not capable of obtaining satisfactory high-temperature high-strain-rate stress-strain response of thin iridium specimens investigated in this study. We analyzed the difficulties encountered in high-temperature Kolsky compression bar testing of thin iridium alloy specimens. Appropriate modifications were made to the current high-temperature Kolsky compression bar technique to obtain reliable compressive stress-strain response of an iridium alloy at high strain rates (300 – 10000 s^-1) and temperatures (750°C and 1030°C). Uncertainties in such high-temperature high-strain-rate experiments on thin iridium specimens were also analyzed. The compressive stress-strain response of the iridium alloy showed significant sensitivity to strain rate and temperature.

High Temperature Electrolysis

DEFF Research Database (Denmark)

Elder, Rachael; Cumming, Denis; Mogensen, Mogens Bjerg

2015-01-01

High temperature electrolysis of carbon dioxide, or co-electrolysis of carbon dioxide and steam, has a great potential for carbon dioxide utilisation. A solid oxide electrolysis cell (SOEC), operating between 500 and 900. °C, is used to reduce carbon dioxide to carbon monoxide. If steam is also i...

Temperature sensitive molecularly imprinted microspheres for solid-phase dispersion extraction of malachite green, crystal violet and their leuko metabolites

International Nuclear Information System (INIS)

Tan, Lei; Chen, Kuncai; He, Rong; Peng, Rongfei; Huang, Cong

2016-01-01

This article demonstrates the feasibility of an alternative strategy for producing temperature sensitive molecularly imprinted microspheres (MIMs) for solid-phase dispersion extraction of malachite green, crystal violet and their leuko metabolites. Thermo-sensitive MIMs can change their structure following temperature stimulation. This allows capture and release of target molecules to be controlled by temperature. The fabrication technique provides surface molecular imprinting in acetonitrile using vinyl modified silica microspheres as solid supports, methacrylic acid and N-isopropyl acrylamide as the functional monomers, ethyleneglycol dimethacrylate as the cross-linker, and malachite green as the template. After elution of the template, the MIMs can be used for fairly group-selective solid phase dispersion extraction of malachite green, crystal violet, leucomalachite green, and leucocrystal violet from homogenized fish samples at a certain temperature. Following centrifugal separation of the microspheres, the analytes were eluted with a 95:5 mixture of acetonitrile and formic acid, and then quantified by ultra-high performance liquid chromatography tandem mass spectrometry (UHPLC-MS/MS) with isotope internal calibration. The detection limits for malachite green, crystal violet and their metabolites typically are 30 ng·kg −1 . Positive samples were identified by UHPLC-MS/MS in the positive ionization mode with multiple reaction monitoring. The method was applied to the determination of the dyes and the respective leuko dyes in fish samples, and accuracy and precision were validated by comparative analysis of the samples by using aluminum neutral columns. (author)

Development of radiation-resisting high molecular-weight materials

International Nuclear Information System (INIS)

Nakagawa, Tsutomu

1976-01-01

The excellent radiation-resisting polyvinyl chloride developed at the opportunity of the research on the relationships between the protection of living body and the polymer-technological protection from radiation is reviewed. The report is divided into four main parts, namely 1) the change in the molecular arrangement of market-available, high molecular-weight materials by gamma-ray irradiation, 2) the protection of high molecular-weight materials from radiation, 3) the relationships between the biological radiation-protective substances and the change to radiation-resisting property of synthesized high molecular-weight substances, and 4) the development of the radiation-resisting high molecular-weight materials as metal-collecting agents. Attention is paid to the polyvinyl chloride having N-methyl-dithio-carbamate radical (PMD), synthesized by the author et. al., that has excellent radiation-resisting property. PMD has some possibility to form thiol- and amino-radicals necessary to protect living things from radiation. It is believed that the protection effects of N-methyl-dithio-carbamate radical are caused by the relatively stable S radical produced by the energy transfer. PMD film is suitable for the irradiation of foods, because it hardly changes the permeability of oxygen and carbon dioxide. PMD produces mercaptide or chelate. A new metal-collecting agent (PSDC) having reactivity with the metallic ions with radiation-resisting property was developed, which is derived from polyvinyl chloride and sodium N-methyl-N-carboxy-methyl-dithio-carbamate. (Iwakiri, K.)

High temperature mechanical properties of iron aluminides

International Nuclear Information System (INIS)

Morris, D. G.; Munoz-Morris, M. A.

2001-01-01

Considerable attention has been given to the iron aluminide family of intermetallics over the past years since they offer considerable potential as engineering materials for intermediate to high temperature applications, particularly in cases where extreme oxidation or corrosion resistance is required. Despite efforts at alloy development, however, high temperature strength remains low and creep resistance poor. Reasons for the poor high-temperature strength of iron aluminides will be discussed, based on the ordered crystal structure, the dislocation structure found in the materials, and the mechanisms of dislocation pinning operating. Alternative ways of improving high temperature strength by microstructural modification and the inclusion of second phase particles will also be considered. (Author)

High-Temperature-High-Volume Lifting for Enhanced Geothermal Systems

Energy Technology Data Exchange (ETDEWEB)

Turnquist, Norman [GE Global Research, Munchen (Germany); Qi, Xuele [GE Global Research, Munchen (Germany); Raminosoa, Tsarafidy [GE Global Research, Munchen (Germany); Salas, Ken [GE Global Research, Munchen (Germany); Samudrala, Omprakash [GE Global Research, Munchen (Germany); Shah, Manoj [GE Global Research, Munchen (Germany); Van Dam, Jeremy [GE Global Research, Munchen (Germany); Yin, Weijun [GE Global Research, Munchen (Germany); Zia, Jalal [GE Global Research, Munchen (Germany)

2013-12-20

This report summarizes the progress made during the April 01, 2010 – December 30, 2013 period under Cooperative Agreement DE-EE0002752 for the U.S. Department of Energy entitled “High-Temperature-High-Volume Lifting for Enhanced Geothermal Systems.” The overall objective of this program is to advance the technology for well fluids lifting systems to meet the foreseeable pressure, temperature, and longevity needs of the Enhanced Geothermal Systems (EGS) industry for the coming ten years. In this program, lifting system requirements for EGS wells were established via consultation with industry experts and site visits. A number of artificial lift technologies were evaluated with regard to their applicability to EGS applications; it was determined that a system based on electric submersible pump (ESP) technology was best suited to EGS. Technical barriers were identified and a component-level technology development program was undertaken to address each barrier, with the most challenging being the development of a power-dense, small diameter motor that can operate reliably in a 300°C environment for up to three years. Some of the targeted individual component technologies include permanent magnet motor construction, high-temperature insulation, dielectrics, bearings, seals, thrust washers, and pump impellers/diffusers. Advances were also made in thermal management of electric motors. In addition to the overall system design for a full-scale EGS application, a subscale prototype was designed and fabricated. Like the full-scale design, the subscale prototype features a novel “flow-through-the-bore” permanent magnet electric motor that combines the use of high temperature materials with an internal cooling scheme that limits peak internal temperatures to <330°C. While the full-scale high-volume multi-stage pump is designed to lift up to 80 kg/s of process water, the subscale prototype is based on a production design that can pump 20 kg/s and has been modified

First high-temperature electronics products survey 2005.

Energy Technology Data Exchange (ETDEWEB)

Normann, Randy Allen

2006-04-01

On April 4-5, 2005, a High-Temperature Electronics Products Workshop was held. This workshop engaged a number of governmental and private industry organizations sharing a common interest in the development of commercially available, high-temperature electronics. One of the outcomes of this meeting was an agreement to conduct an industry survey of high-temperature applications. This report covers the basic results of this survey.

The effect of gamma radiation on hardness evolution in high density polyethylene at elevated temperatures

International Nuclear Information System (INIS)

Chen, Pei-Yun; Chen, C.C.; Harmon, Julie P.; Lee, Sanboh

2014-01-01

This research focuses on characterizing hardness evolution in irradiated high density polyethylene (HDPE) at elevated temperatures. Hardness increases with increasing gamma ray dose, annealing temperature and annealing time. The hardness change is attributed to the variation of defects in microstructure and molecular structure. The kinetics of defects that control the hardness are assumed to follow the first order structure relaxation. The experimental data are in good agreement with the predicted model. The rate constant follows the Arrhenius equation, and the corresponding activation energy decreases with increasing dose. The defects that control hardness in post-annealed HDPE increase with increasing dose and annealing temperature. The structure relaxation of HDPE has a lower energy of mixing in crystalline regions than in amorphous regions. Further, the energy of mixing for defects that influence hardness in HDPE is lower than those observed in polycarbonate (PC), poly(methyl methacrylate) (PMMA) and poly (hydroxyethyl methacrylate) (HEMA). This is due to the fact that polyethylene is a semi-crystalline material, while PC, PMMA and PHEMA are amorphous. - Highlights: • Hardness of HDPE increases with increasing gamma ray dose, annealing time and temperature. • The hardness change arises from defects in microstructure and molecular structure. • Defects affecting hardness follow a kinetics of structure relaxation. • The structure relaxation has a low energy of mixing in crystalline regime

The effect of gamma radiation on hardness evolution in high density polyethylene at elevated temperatures

Energy Technology Data Exchange (ETDEWEB)

Chen, Pei-Yun [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China); Chen, C.C. [Institute of Nuclear Energy Research, Longtan, Taoyuan 325, Taiwan (China); Harmon, Julie P. [Department of Chemistry, University of South Florida, Tampa, FL 33620 (United States); Lee, Sanboh, E-mail: sblee@mx.nthu.edu.tw [Department of Materials Science and Engineering, National Tsing Hua University, Hsinchu 300, Taiwan (China)

2014-08-01

This research focuses on characterizing hardness evolution in irradiated high density polyethylene (HDPE) at elevated temperatures. Hardness increases with increasing gamma ray dose, annealing temperature and annealing time. The hardness change is attributed to the variation of defects in microstructure and molecular structure. The kinetics of defects that control the hardness are assumed to follow the first order structure relaxation. The experimental data are in good agreement with the predicted model. The rate constant follows the Arrhenius equation, and the corresponding activation energy decreases with increasing dose. The defects that control hardness in post-annealed HDPE increase with increasing dose and annealing temperature. The structure relaxation of HDPE has a lower energy of mixing in crystalline regions than in amorphous regions. Further, the energy of mixing for defects that influence hardness in HDPE is lower than those observed in polycarbonate (PC), poly(methyl methacrylate) (PMMA) and poly (hydroxyethyl methacrylate) (HEMA). This is due to the fact that polyethylene is a semi-crystalline material, while PC, PMMA and PHEMA are amorphous. - Highlights: • Hardness of HDPE increases with increasing gamma ray dose, annealing time and temperature. • The hardness change arises from defects in microstructure and molecular structure. • Defects affecting hardness follow a kinetics of structure relaxation. • The structure relaxation has a low energy of mixing in crystalline regime.

Thermophysical properties of liquid Ni around the melting temperature from molecular dynamics simulation

Energy Technology Data Exchange (ETDEWEB)

Rozas, R. E. [Institut für Theoretische Physik II: Soft Matter, Heinrich Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Department of Physics, University of Bío-Bío, Av. Collao 1202, P.O. Box 5C, Concepción (Chile); Demiraǧ, A. D.; Horbach, J. [Institut für Theoretische Physik II: Soft Matter, Heinrich Heine-Universität Düsseldorf, Universitätsstraße 1, 40225 Düsseldorf (Germany); Toledo, P. G. [Chemical Engineering Department and Surface Analysis Laboratory (ASIF), University of Concepción, P.O. Box 160-C, Correo 3, Concepción (Chile)

2016-08-14

Thermophysical properties of liquid nickel (Ni) around the melting temperature are investigated by means of classical molecular dynamics (MD) simulation, using three different embedded atom method potentials to model the interactions between the Ni atoms. Melting temperature, enthalpy, static structure factor, self-diffusion coefficient, shear viscosity, and thermal diffusivity are compared to recent experimental results. Using ab initio MD simulation, we also determine the static structure factor and the mean-squared displacement at the experimental melting point. For most of the properties, excellent agreement is found between experiment and simulation, provided the comparison relative to the corresponding melting temperature. We discuss the validity of the Hansen-Verlet criterion for the static structure factor as well as the Stokes-Einstein relation between self-diffusion coefficient and shear viscosity. The thermal diffusivity is extracted from the autocorrelation function of a wavenumber-dependent temperature fluctuation variable.

Deformation of high-temperature superconductors

International Nuclear Information System (INIS)

Goretta, K.C.; Routbort, J.L.; Miller, D.J.; Chen, N.; Dominguez-Rodriguez, A.; Jimenez-Melendo, M.; De Arellano-Lopez, A.R.

1994-08-01

Of the many families of high-temperature superconductors, only the properties of those discovered prior to 1989 - Y-Ba-Cu-O, Tl-Ba(Sr)-Ca-Cu-O, and Bi(Pb)-Sr-Ca-Cu-O - have been studied extensively. Deformation tests have been performed on YBa 2 Cu 3 O x (Y-123), YBa 2 Cu 4 O x (Y-124), TlBa 2 Ca 2 Cu 3 O x (Bi-2223). The tests have revealed that plasticity is generally limited in these compounds and that the rate-controlling diffusional kinetics for creep are very slow. Nevertheless, hot forming has proved to be quite successful for fabrication of bulk high-temperature superconductors, so long as deformation rates are low or large hydrostatic stresses are applied. Steady-state creep data have proved to be useful in designing optimal heat treatments for superconductors and in support of more-fundamental diffusion experiments. The high-temperature superconductors are highly complex oxides, and it is a challenge to understand their deformation responses. In this paper, results of interest and operant creep mechanisms will be reviewed

NSTX High Temperature Sensor Systems

International Nuclear Information System (INIS)

McCormack, B.; Kugel, H.W.; Goranson, P.; Kaita, R.

1999-01-01

The design of the more than 300 in-vessel sensor systems for the National Spherical Torus Experiment (NSTX) has encountered several challenging fusion reactor diagnostic issues involving high temperatures and space constraints. This has resulted in unique miniature, high temperature in-vessel sensor systems mounted in small spaces behind plasma facing armor tiles, and they are prototypical of possible high power reactor first-wall applications. In the Center Stack, Divertor, Passive Plate, and vessel wall regions, the small magnetic sensors, large magnetic sensors, flux loops, Rogowski Coils, thermocouples, and Langmuir Probes are qualified for 600 degrees C operation. This rating will accommodate both peak rear-face graphite tile temperatures during operations and the 350 degrees C bake-out conditions. Similar sensor systems including flux loops, on other vacuum vessel regions are qualified for 350 degrees C operation. Cabling from the sensors embedded in the graphite tiles follows narrow routes to exit the vessel. The detailed sensor design and installation methods of these diagnostic systems developed for high-powered ST operation are discussed

Effects of incident cluster size, substrate temperature, and incident energy on bombardment of Ni clusters onto Cu (0 0 1) surface studied using molecular dynamics simulation

International Nuclear Information System (INIS)

Lin, Shiang-Jiun; Wu, Cheng-Da; Fang, Te-Hua; Chen, Guan-Hung

2012-01-01

The bombardment process of a Ni cluster onto a Cu (0 0 1) surface is studied using molecular dynamics (MD) simulations based on the tight-binding second-moment approximation (TB-SMA) many-body potential. The effects of incident cluster size, substrate temperature, and incident energy are evaluated in terms of molecular trajectories, kinetic energy, stress, self-diffusion coefficient, and sputtering yield. The simulation results clearly show that the penetration depth and Cu surface damage increase with increasing incident cluster size for a given incident energy per atom. The self-diffusion coefficient and the penetration depth of a cluster significantly increase with increasing substrate temperature. An incident cluster can be scattered into molecules or atoms that become embedded in the surface after incidence. When the incident energy is increased, the number of volcano-like defects and the penetration depth increase. A high sputtering yield can be obtained by increasing the incident energy at high temperature. The sputtering yield significantly increases with cluster size when the incident energy is above 5 eV/atom.

On high temperature strength of carbon steels

International Nuclear Information System (INIS)

Ichinose, Hiroyuki; Tamura, Manabu; Kanero, Takahiro; Ihara, Yoshihito

1977-01-01

In the steels for high temperature use, the oxidation resistance is regarded as important, but carbon steels show enough oxidation resistance to be used continuously at the temperature up to 500 deg. C if the strength is left out of consideration, and up to 450 deg. C even when the strength is taken into account. Moreover, the production is easy, the workability and weldability are good, and the price is cheap in carbon steels as compared with alloy steels. In the boilers for large thermal power stations, 0.15-0.30% C steels are used for reheater tubes, main feed water tubes, steam headers, wall water tubes, economizer tubes, bypass pipings and others, and they account for 70% of all steel materials used for the boilers of 350 MW class and 30% in 1000 MW class. The JIS standard for the carbon steels for high temperature use and the related standards in foreign countries are shown. The high temperature strength of carbon steels changes according to the trace elements, melting and heat treatment as well as the main compositions of C, Si and Mn. Al and N affect the high temperature strength largely. The characteristics of carbon steels after the heating for hours, the factors controlling the microstructure and high temperature strength, and the measures to improve the high temperature strength of carbon steels are explained. (Kako, I.)

Nuclear fuels for very high temperature applications

International Nuclear Information System (INIS)

Lundberg, L.B.; Hobbins, R.R.

1992-01-01

The success of the development of nuclear thermal propulsion devices and thermionic space nuclear power generation systems depends on the successful utilization of nuclear fuel materials at temperatures in the range 2000 to 3500 K. Problems associated with the utilization of uranium bearing fuel materials at these very high temperatures while maintaining them in the solid state for the required operating times are addressed. The critical issues addressed include evaporation, melting, reactor neutron spectrum, high temperature chemical stability, fabrication, fission induced swelling, fission product release, high temperature creep, thermal shock resistance, and fuel density, both mass and fissile atom. Candidate fuel materials for this temperature range are based on UO 2 or uranium carbides. Evaporation suppression, such as a sealed cladding, is required for either fuel base. Nuclear performance data needed for design are sparse for all candidate fuel forms in this temperature range, especially at the higher temperatures

Close-Spaced High Temperature Knudsen Flow.

Science.gov (United States)

1986-07-15

radiant heat source assembly was substituted for the brazed molybdenum one in order to achieve higher radiant heater temperatures . 2.1.4 Experimental...at very high temperature , and ground flat. The molybdenum is then chemically etched to the desired depth using an etchant which does not affect...RiB6 295 -CLSE PCED HIGH TEMPERATURE KNUDSEN FLOU(U) RASOR I AiASSOCIATES INC SUNNYVALE CA J 8 MCVEY 15 JUL 86 NSR-224 AFOSR-TR-87-1258 F49628-83-C

Highly repeatable room temperature negative differential resistance in AlN/GaN resonant tunneling diodes grown by molecular beam epitaxy

International Nuclear Information System (INIS)

Growden, Tyler A.; Fakhimi, Parastou; Berger, Paul R.; Storm, David F.; Meyer, David J.; Zhang, Weidong; Brown, Elliott R.

2016-01-01

AlN/GaN resonant tunneling diodes grown on low dislocation density semi-insulating bulk GaN substrates via plasma-assisted molecular-beam epitaxy are reported. The devices were fabricated using a six mask level, fully isolated process. Stable room temperature negative differential resistance (NDR) was observed across the entire sample. The NDR exhibited no hysteresis, background light sensitivity, or degradation of any kind after more than 1000 continuous up-and-down voltage sweeps. The sample exhibited a ∼90% yield of operational devices which routinely displayed an average peak current density of 2.7 kA/cm 2 and a peak-to-valley current ratio of ≈1.15 across different sizes.

Highly repeatable room temperature negative differential resistance in AlN/GaN resonant tunneling diodes grown by molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Growden, Tyler A.; Fakhimi, Parastou; Berger, Paul R., E-mail: pberger@ieee.org [Department of Electrical and Computer Engineering, The Ohio State University, Columbus, Ohio 43210 (United States); Storm, David F.; Meyer, David J. [U.S. Naval Research Laboratory, Washington, DC 20375 (United States); Zhang, Weidong; Brown, Elliott R. [Departments of Physics and Electrical Engineering, Wright State University, Dayton, Ohio 45435 (United States)

2016-08-22

AlN/GaN resonant tunneling diodes grown on low dislocation density semi-insulating bulk GaN substrates via plasma-assisted molecular-beam epitaxy are reported. The devices were fabricated using a six mask level, fully isolated process. Stable room temperature negative differential resistance (NDR) was observed across the entire sample. The NDR exhibited no hysteresis, background light sensitivity, or degradation of any kind after more than 1000 continuous up-and-down voltage sweeps. The sample exhibited a ∼90% yield of operational devices which routinely displayed an average peak current density of 2.7 kA/cm{sup 2} and a peak-to-valley current ratio of ≈1.15 across different sizes.

Development of High Temperature/High Sensitivity Novel Chemical Resistive Sensor

Energy Technology Data Exchange (ETDEWEB)

Ma, Chunrui [Univ. of Texas, San Antonio, TX (United States); Enriquez, Erik [Univ. of Texas, San Antonio, TX (United States); Wang, Haibing [Univ. of Texas, San Antonio, TX (United States); Xu, Xing [Univ. of Texas, San Antonio, TX (United States); Bao, Shangyong [Univ. of Texas, San Antonio, TX (United States); Collins, Gregory [Univ. of Texas, San Antonio, TX (United States)

2013-08-13

The research has been focused to design, fabricate, and develop high temperature/high sensitivity novel multifunctional chemical sensors for the selective detection of fossil energy gases used in power and fuel systems. By systematically studying the physical properties of the LnBaCo₂O_5+d (LBCO) [Ln=Pr or La] thin-films, a new concept chemical sensor based high temperature chemical resistant change has been developed for the application for the next generation highly efficient and near zero emission power generation technologies. We also discovered that the superfast chemical dynamic behavior and an ultrafast surface exchange kinetics in the highly epitaxial LBCO thin films. Furthermore, our research indicates that hydrogen can superfast diffuse in the ordered oxygen vacancy structures in the highly epitaxial LBCO thin films, which suggest that the LBCO thin film not only can be an excellent candidate for the fabrication of high temperature ultra sensitive chemical sensors and control systems for power and fuel monitoring systems, but also can be an excellent candidate for the low temperature solid oxide fuel cell anode and cathode materials.

High temperature and high pressure equation of state of gold

International Nuclear Information System (INIS)

Matsui, Masanori

2010-01-01

High-temperature and high-pressure equation of state (EOS) of Au has been developed using measured data from shock compression up to 240 GPa, volume thermal expansion between 100 and 1300 K and 0 GPa, and temperature dependence of bulk modulus at 0 GPa from ultrasonic measurements. The lattice thermal pressures at high temperatures have been estimated based on the Mie-Grueneisen-Debye type treatment with the Vinet isothermal EOS. The contribution of electronic thermal pressure at high temperatures, which is relatively insignificant for Au, has also been included here. The optimized EOS parameters are K' 0T = 6.0 and q = 1.6 with fixed K 0T = 167 GPa, γ 0 = 2.97, and Θ 0 = 170 K from previous investigations. We propose the present EOS to be used as a reliable pressure standard for static experiments up to 3000K and 300 GPa.

1981 Annual status report. High-temperature materials

International Nuclear Information System (INIS)

1981-01-01

The high temperature materials programme is executed at the JRC, Petten Establishment and has for the 1980/83 programme period the objective to promote within the European Community the development of high temperature materials required for future energy technologies. A range of engineering studies is being carried out. A data bank storing factual data on alloys for high temperature applications is being developed and has reached the operational phase

1982 Annual status report: high-temperature materials

International Nuclear Information System (INIS)

Van de Voorde, M.

1983-01-01

The High Temperature Materials Programme is executed at the JRC, Petten Establishment and has for the 1980/83 programme period the objective to promote within the European Community the development of high temperature materials required for future energy technologies. Materials and engineering studies include: corrosion with or without load, mechanical properties under static or dynamic loads, surface protection creep of tubular components in corrosive environments and high temperature materials data bank

High pressure study of high-temperature superconductors

Energy Technology Data Exchange (ETDEWEB)

Souliou, Sofia-Michaela

2014-09-29

The current thesis studies experimentally the effect of high external pressure on high-T{sub c} superconductors. The structure and lattice dynamics of several members of the high-T{sub c} cuprate and Fe-based superconductors families were investigated by means of Raman spectroscopy and X-ray diffraction under well-controlled, hydrostatic high pressure and low temperature conditions. The lattice dynamics of the high-T{sub c} superconductor YBa{sub 2}Cu{sub 3}O{sub 6+x} have been investigated systematically by Raman spectroscopy as a function of doping (x = 0.95, 0.75, 0.60, 0.55, and 0.45) and external pressure. Under ambient pressure conditions, in addition to the Raman modes expected from group theory, we observe new Raman active phonons upon cooling the underdoped samples, at temperatures well above the superconducting transition temperature. The doping dependence and the onset temperatures of the new Raman features suggest that they are associated with the incommensurate charge density wave (CDW) state recently discovered in underdoped cuprates using synchrotron X-ray scattering techniques. Under high pressure conditions (from 2 to 12 GPa), our Raman measurements on highly ordered underdoped YBa{sub 2}Cu{sub 3}O{sub 6.55} samples do not show any of the new Raman phonons seen at ambient pressure. High pressure and low temperature Raman measurements have been performed on the underdoped superconductor YBa{sub 2}Cu{sub 4}O{sub 8}. A clear renormalization of some of the Raman phonons is seen below T{sub c} as a result of the changes in the phonon self-energy upon the opening of the superconducting gap, with the most prominent one being that of the B{sub 1g}-like buckling phonon mode. The amplitude of this renormalization strongly increases with pressure, resembling the effect of hole doping in YBa{sub 2}Cu{sub 3}O{sub 6+x}. At ∝ 10 GPa, the system undergoes a reversible pressure-induced structural phase transition to a non-centrosymmmetric structure (space group

High pressure study of high-temperature superconductors

International Nuclear Information System (INIS)

Souliou, Sofia-Michaela

2014-01-01

The current thesis studies experimentally the effect of high external pressure on high-T c superconductors. The structure and lattice dynamics of several members of the high-T c cuprate and Fe-based superconductors families were investigated by means of Raman spectroscopy and X-ray diffraction under well-controlled, hydrostatic high pressure and low temperature conditions. The lattice dynamics of the high-T c superconductor YBa 2 Cu 3 O 6+x have been investigated systematically by Raman spectroscopy as a function of doping (x = 0.95, 0.75, 0.60, 0.55, and 0.45) and external pressure. Under ambient pressure conditions, in addition to the Raman modes expected from group theory, we observe new Raman active phonons upon cooling the underdoped samples, at temperatures well above the superconducting transition temperature. The doping dependence and the onset temperatures of the new Raman features suggest that they are associated with the incommensurate charge density wave (CDW) state recently discovered in underdoped cuprates using synchrotron X-ray scattering techniques. Under high pressure conditions (from 2 to 12 GPa), our Raman measurements on highly ordered underdoped YBa 2 Cu 3 O 6.55 samples do not show any of the new Raman phonons seen at ambient pressure. High pressure and low temperature Raman measurements have been performed on the underdoped superconductor YBa 2 Cu 4 O 8 . A clear renormalization of some of the Raman phonons is seen below T c as a result of the changes in the phonon self-energy upon the opening of the superconducting gap, with the most prominent one being that of the B 1g -like buckling phonon mode. The amplitude of this renormalization strongly increases with pressure, resembling the effect of hole doping in YBa 2 Cu 3 O 6+x . At ∝ 10 GPa, the system undergoes a reversible pressure-induced structural phase transition to a non-centrosymmmetric structure (space group Imm2). The structural transition is clearly reflected in the high pressure

Application of High Temperature Superconductors to Accelerators

CERN Document Server

Ballarino, A

2000-01-01

Since the discovery of high temperature superconductivity, a large effort has been made by the scientific community to investigate this field towards a possible application of the new oxide superconductors to different devices like SMES, magnetic bearings, flywheels energy storage, magnetic shielding, transmission cables, fault current limiters, etc. However, all present day large scale applications using superconductivity in accelerator technology are based on conventional materials operating at liquid helium temperatures. Poor mechanical properties, low critical current density and sensitivity to the magnetic field at high temperature are the key parameters whose improvement is essential for a large scale application of high temperature superconductors to such devices. Current leads, used for transferring currents from the power converters, working at room temperature, into the liquid helium environment, where the magnets are operating, represent an immediate application of the emerging technology of high t...

Plasma Temperature Determination of Hydrogen Containing High-Frequency Electrodeless Lamps by Intensity Distribution Measurements of Hydrogen Molecular Band

OpenAIRE

Gavare, Zanda; Revalde, Gita; Skudra, Atis

2010-01-01

The goal of the present work was the investigation of the possibility to use intensity distribution of the Q-branch lines of the hydrogen Fulcher-α diagonal band (d3Πu−→a3∑g+ electronic transition; Q-branch with v=v′=2) to determine the temperature of hydrogen containing high-frequency electrodeless lamps (HFEDLs). The values of the rotational temperatures have been obtained from the relative intensity distributions for hydrogen-helium and hydrogen-argon HFEDLs depending on the applied curren...

Doping-free white organic light-emitting diodes without blue molecular emitter: An unexplored approach to achieve high performance via exciplex emission

Science.gov (United States)

Luo, Dongxiang; Xiao, Ye; Hao, Mingming; Zhao, Yu; Yang, Yibin; Gao, Yuan; Liu, Baiquan

2017-02-01

Doping-free white organic light-emitting diodes (DF-WOLEDs) are promising for the low-cost commercialization because of their simplified device structures. However, DF-WOLEDs reported thus far in the literature are based on the use of blue single molecular emitters, whose processing can represent a crucial point in device manufacture. Herein, DF-WOLEDs without the blue single molecular emitter have been demonstrated by managing a blue exciplex system. For the single-molecular-emitter (orange or yellow emitter) DF-WOLEDs, (i) a color rendering index (CRI) of 81 at 1000 cd/m2 can be obtained, which is one of the highest for the single-molecular-emitter WOLEDs, or (ii) a high efficiency of 35.4 lm/W can be yielded. For the dual-molecular-emitter (yellow/red emitters) DF-WOLED, a high CRI of 85 and low correlated color temperature of 2376 K at 1000 cd/m2 have been simultaneously achieved, which has not been reported by previous DF-WOLEDs. Such presented findings may unlock an alternative avenue to the simplified but high-performance WOLEDs.

High-temperature flaw assessment procedure

International Nuclear Information System (INIS)

Ruggles, M.B.; Takahashi, Y.; Ainsworth, R.A.

1989-08-01

The current program represents a joint effort between the Electric Power Research Institute (EPRI) in the USA, the Central Research Institute of Electric Power Industry (CRIEPI) in Japan, and the Central Electricity Generating Board (CEGB) in the UK. The goal is to develop an interim high-temperature flaw assessment procedure for high-temperature reactor components. This is to be accomplished through exploratory experimental and analytical studies of high-temperature crack growth. The state-of-the-art assessment and the fracture mechanics database for both types 304 and 316 stainless steels, completed in 1988, serve as a foundation for the present work. Work in the three participating organizations is progressing roughly on schedule. Results to-date are presented in this document. Fundamental tests results are discussed in Section 2. Section 3 focuses on results of exploratory subcritical crack growth tests. Progress in subcritical crack growth modeling is reported in Section 4. Exploratory failure tests are outlined in Section 5. 21 refs., 70 figs., 7 tabs

Molecular detection of Staphylococcus aureus resistant to temperature in milk and its products

Science.gov (United States)

Sutejo, Stephani Valentina Harda; Amarantini, Charis; Budiarso, Tri Yahya

2017-11-01

Contamination of Staphylococcus aureus on milk can cause intoxication and infection by Staphylococcal enterotoxin. It has nuc gene, coding thermonuclease enzyme (TNase) that is responsible for nature of resistance in the heating process. This study was conducted to identify nuc gene of as S. aureus isolated from milk and its products like ultra-high temperature, sterile milk, sweetened condensed milk, formula milk, café/milk street traders and fresh milk. Biochemical identification was conducted by using carbohydrate fermentation tests and confirmed by API Staph. Molecular confirmation by amplification of nuc gene using PCR. Based on the results of confirmation using API Staph, all isolates were confirmed as S. aureus with index determinant percentage of 97%. An amplicon product of 270 bp was gained in all isolates. It is concluded that isolate of S. aureus has nuc gene.

High-temperature ductility of electro-deposited nickel

Science.gov (United States)

Dini, J. W.; Johnson, H. R.

1977-01-01

Work done during the past several months on high temperature ductility of electrodeposited nickel is summarized. Data are presented which show that earlier measurements made at NASA-Langley erred on the low side, that strain rate has a marked influence on high temperature ductility, and that codeposition of a small amount of manganese helps to improve high temperature ductility. Influences of a number of other factors on nickel properties were also investigated. They included plating solution temperature, current density, agitation, and elimination of the wetting agent from the plating solution. Repair of a large nozzle section by nickel plating is described.

High temperature materials characterization

Science.gov (United States)

Workman, Gary L.

1990-01-01

A lab facility for measuring elastic moduli up to 1700 C was constructed and delivered. It was shown that the ultrasonic method can be used to determine elastic constants of materials from room temperature to their melting points. The ease in coupling high frequency acoustic energy is still a difficult task. Even now, new coupling materials and higher power ultrasonic pulsers are being suggested. The surface was only scratched in terms of showing the full capabilities of either technique used, especially since there is such a large learning curve in developing proper methodologies to take measurements into the high temperature region. The laser acoustic system does not seem to have sufficient precision at this time to replace the normal buffer rod methodology.

Molecular Weight and Crystallization Temperature Effects on Poly(ethylene terephthalate (PET Homopolymers, an Isothermal Crystallization Analysis

Directory of Open Access Journals (Sweden)

Leonardo A. Baldenegro-Perez

2014-02-01

Full Text Available The isothermal crystallization of poly(ethylene terephthalate (PET homopolymers with different molecular weight was studied in a wide temperature range (140–230 °C using different experimental techniques. Three different morphological regions, labeled r1, r2 and r3, were distinguished as a function of crystallization temperature (Tc. In r1 (low Tc crystallized samples were characterized by a low crystalline degree with a small spherulite texture containing thin crystals. In r2 (intermediate Tc samples showed medium size spherulites composed of two distinct crystalline families (thin and thick crystals. In this temperature range, the crystallization exhibited a maximum value and it was associated with a high content of secondary crystals. In r3 (high Tc, samples presented considerable amorphous zones and regions consisting of oversized spherulites containing only thick crystals. Time-resolved wide-angle X-ray diffraction measurements, using synchrotron radiation, indicated a rapid evolution of the crystalline degree within the second region, in contrast with the quite slow evolution observed in the third region. On the other hand, by small-angle X-ray scattering (SAXS and time-resolved SAXS experiment, it was found that the long period (L as well as the lamellar thickness (lc increase as a function of Tc, corroborating the formation of the thickest crystals in the third region. From all these observations, a morphological model was proposed for each region.

Powder metallurgy inspired low-temperature fabrication of high-performance stereocomplexed polylactide products with good optical transparency

Science.gov (United States)

Bai, Dongyu; Liu, Huili; Bai, Hongwei; Zhang, Qin; Fu, Qiang

2016-02-01

Stereocomplexation between enantiomeric poly(L-lactide) (PLLA) and poly(D-lactide) (PDLA) provides an avenue to greatly enhance performance of eco-friendly polylactide (PLA). Unfortunately, although the manufacturing of semicrystalline polymers generally involves melt processing, it is still hugely challenging to create high-performance stereocomplexed polylactide (sc-PLA) products from melt-processed high-molecular-weight PLLA/PDLA blends due to the weak crystallization memory effect of stereocomplex (sc) crystallites after complete melting as well as the substantial degradation of PLA chains at elevated melt-processing temperatures of ca. 240-260 °C. Inspired by the concept of powder metallurgy, here we report a new facile route to address these obstacles by sintering of sc-PLA powder at temperatures as low as 180-210 °C, which is distinctly different from traditional sintering of polymer powders performed at temperatures far exceeding their melting temperatures. The enantiomeric PLA chain segments from adjacent powder particles can interdiffuse across particle interfaces and co-crystallize into new sc crystallites capable of tightly welding the interfaces during the low-temperature sintering process, and thus highly transparent sc-PLA products with outstanding heat resistance, mechanical strength, and hydrolytic stability have been successfully fabricated for the first time.

Powder metallurgy inspired low-temperature fabrication of high-performance stereocomplexed polylactide products with good optical transparency

Science.gov (United States)

Bai, Dongyu; Liu, Huili; Bai, Hongwei; Zhang, Qin; Fu, Qiang

2016-01-01

Stereocomplexation between enantiomeric poly(l-lactide) (PLLA) and poly(d-lactide) (PDLA) provides an avenue to greatly enhance performance of eco-friendly polylactide (PLA). Unfortunately, although the manufacturing of semicrystalline polymers generally involves melt processing, it is still hugely challenging to create high-performance stereocomplexed polylactide (sc-PLA) products from melt-processed high-molecular-weight PLLA/PDLA blends due to the weak crystallization memory effect of stereocomplex (sc) crystallites after complete melting as well as the substantial degradation of PLA chains at elevated melt-processing temperatures of ca. 240–260 °C. Inspired by the concept of powder metallurgy, here we report a new facile route to address these obstacles by sintering of sc-PLA powder at temperatures as low as 180–210 °C, which is distinctly different from traditional sintering of polymer powders performed at temperatures far exceeding their melting temperatures. The enantiomeric PLA chain segments from adjacent powder particles can interdiffuse across particle interfaces and co-crystallize into new sc crystallites capable of tightly welding the interfaces during the low-temperature sintering process, and thus highly transparent sc-PLA products with outstanding heat resistance, mechanical strength, and hydrolytic stability have been successfully fabricated for the first time. PMID:26837848

Powder metallurgy inspired low-temperature fabrication of high-performance stereocomplexed polylactide products with good optical transparency.

Science.gov (United States)

Bai, Dongyu; Liu, Huili; Bai, Hongwei; Zhang, Qin; Fu, Qiang

2016-02-03

Stereocomplexation between enantiomeric poly(l-lactide) (PLLA) and poly(d-lactide) (PDLA) provides an avenue to greatly enhance performance of eco-friendly polylactide (PLA). Unfortunately, although the manufacturing of semicrystalline polymers generally involves melt processing, it is still hugely challenging to create high-performance stereocomplexed polylactide (sc-PLA) products from melt-processed high-molecular-weight PLLA/PDLA blends due to the weak crystallization memory effect of stereocomplex (sc) crystallites after complete melting as well as the substantial degradation of PLA chains at elevated melt-processing temperatures of ca. 240-260 °C. Inspired by the concept of powder metallurgy, here we report a new facile route to address these obstacles by sintering of sc-PLA powder at temperatures as low as 180-210 °C, which is distinctly different from traditional sintering of polymer powders performed at temperatures far exceeding their melting temperatures. The enantiomeric PLA chain segments from adjacent powder particles can interdiffuse across particle interfaces and co-crystallize into new sc crystallites capable of tightly welding the interfaces during the low-temperature sintering process, and thus highly transparent sc-PLA products with outstanding heat resistance, mechanical strength, and hydrolytic stability have been successfully fabricated for the first time.

The High Temperature Tensile and Creep Behaviors of High Entropy Superalloy.

Science.gov (United States)

Tsao, Te-Kang; Yeh, An-Chou; Kuo, Chen-Ming; Kakehi, Koji; Murakami, Hideyuki; Yeh, Jien-Wei; Jian, Sheng-Rui

2017-10-04

This article presents the high temperature tensile and creep behaviors of a novel high entropy alloy (HEA). The microstructure of this HEA resembles that of advanced superalloys with a high entropy FCC matrix and L1 2 ordered precipitates, so it is also named as "high entropy superalloy (HESA)". The tensile yield strengths of HESA surpass those of the reported HEAs from room temperature to elevated temperatures; furthermore, its creep resistance at 982 °C can be compared to those of some Ni-based superalloys. Analysis on experimental results indicate that HESA could be strengthened by the low stacking-fault energy of the matrix, high anti-phase boundary energy of the strengthening precipitate, and thermally stable microstructure. Positive misfit between FCC matrix and precipitate has yielded parallel raft microstructure during creep at 982 °C, and the creep curves of HESA were dominated by tertiary creep behavior. To the best of authors' knowledge, this article is the first to present the elevated temperature tensile creep study on full scale specimens of a high entropy alloy, and the potential of HESA for high temperature structural application is discussed.

High transition temperature superconducting integrated circuit

International Nuclear Information System (INIS)

DiIorio, M.S.

1985-01-01

This thesis describes the design and fabrication of the first superconducting integrated circuit capable of operating at over 10K. The primary component of the circuit is a dc SQUID (Superconducting QUantum Interference Device) which is extremely sensitive to magnetic fields. The dc SQUID consists of two superconductor-normal metal-superconductor (SNS) Josephson microbridges that are fabricated using a novel step-edge process which permits the use of high transition temperature superconductors. By utilizing electron-beam lithography in conjunction with ion-beam etching, very small microbridges can be produced. Such microbridges lead to high performance dc SQUIDs with products of the critical current and normal resistance reaching 1 mV at 4.2 K. These SQUIDs have been extensively characterized, and exhibit excellent electrical characteristics over a wide temperature range. In order to couple electrical signals into the SQUID in a practical fashion, a planar input coil was integrated for efficient coupling. A process was developed to incorporate the technologically important high transition temperature superconducting materials, Nb-Sn and Nb-Ge, using integrated circuit techniques. The primary obstacles were presented by the metallurgical idiosyncrasies of the various materials, such as the need to deposit the superconductors at elevated temperatures, 800-900 0 C, in order to achieve a high transition temperature

High temperature corrosion in gasifiers

Directory of Open Access Journals (Sweden)

Bakker Wate

2004-01-01

Full Text Available Several commercial scale coal gasification combined cycle power plants have been built and successfully operated during the last 5-10 years. Supporting research on materials of construction has been carried out for the last 20 years by EPRI and others. Emphasis was on metallic alloys for heat exchangers and other components in contact with hot corrosive gases at high temperatures. In this paper major high temperature corrosion mechanisms, materials performance in presently operating gasifiers and future research needs will be discussed.

Oxygen isotopic fractionation of O₂ during adsorption and desorption processes using molecular sieve at low temperatures.

Science.gov (United States)

Ahn, Insu; Kusakabe, Minoru; Lee, Jong Ik

2014-06-15

Cryogenic trapping using molecular sieves is commonly used to collect O2 extracted from silicates for (17)O/(16)O and (18)O/(16)O analyses. However, gases which interfere with (17)O/(16)O analysis, notably NF3, are also trapped and their removal is essential for accurate direct measurement of the (17)O/(16)O ratio. It is also necessary to identify and quantify any isotopic fractionation associated with the use of cryogenic trapping using molecular sieves. The oxygen isotopic compositions of O2 before and after desorption from, and adsorption onto, 13X and 5A molecular sieves (MS13X and MS5A) at 0°C, -78°C, -114°C, and -130°C were measured in order to determine the oxygen isotopic fractionation at these temperatures. We also investigated whether isotopic fractionation occurred when O2 gas was transferred sequentially into a second cold finger, also containing molecular sieve. It was confirmed that significant oxygen isotopic fractionation occurs between the gaseous O2 and that adsorbed onto molecular sieve, if desorption and adsorption are incomplete. As the fraction of released or untrapped O2 becomes smaller with decreasing trapping temperature (from 0 to -130°C), the isotopic fractionation becomes larger. Approximately half of the total adsorbed O2 is released from the molecular sieve during desorption at -114°C, which is the temperature recommended for separation from NF3 (retained on the molecular sieve), and this will interfere with (17)O/(16)O measurements. The use of a single cold finger should be avoided, because partial desorption is accompanied by oxygen isotopic fractionation, thereby resulting in inaccurate isotopic data. The use of a dual cold finger arrangement is recommended because, as we have confirmed, the transfer of O2 from the first trap to the second is almost 100%. However, even under these conditions, a small isotopic fractionation (0.18 ± 0.05‰ in δ(17)O values and 0.26 ± 0.06‰ in δ(18)O values) occurred, with O2 in

HYFIRE: fusion-high temperature electrolysis system

International Nuclear Information System (INIS)

Fillo, J.A.; Powell, J.R.; Steinberg, M.; Benenati, R.; Dang, V.D.; Horn, F.; Isaacs, H.; Lazareth, O.; Makowitz, H.; Usher, J.

1980-01-01

The Brookhaven National Laboratory (BNL) is carrying out a comprehensive conceptual design study called HYFIRE of a commercial fusion Tokamak reactor, high-temperature electrolysis system. The study is placing particular emphasis on the adaptability of the STARFIRE power reactor to a synfuel application. The HYFIRE blanket must perform three functions: (a) provide high-temperature (approx. 1400 0 C) process steam at moderate pressures (in the range of 10 to 30 atm) to the high-temperature electrolysis (HTE) units; (b) provide high-temperature (approx. 700 to 800 0 C) heat to a thermal power cycle for generation of electricity to the HTE units; and (c) breed enough tritium to sustain the D-T fuel cycle. In addition to thermal energy for the decomposition of steam into its constitutents, H 2 and O 2 , electrical input is required. Power cycle efficiencies of approx. 40% require He cooling for steam superheat. Fourteen hundred degree steam coupled with 40% power cycle efficiency results in a process efficiency (conversion of fusion energy to hydrogen chemical energy) of 50%

High temperature structural sandwich panels

Science.gov (United States)

Papakonstantinou, Christos G.

High strength composites are being used for making lightweight structural panels that are being employed in aerospace, naval and automotive structures. Recently, there is renewed interest in use of these panels. The major problem of most commercial available sandwich panels is the fire resistance. A recently developed inorganic matrix is investigated for use in cases where fire and high temperature resistance are necessary. The focus of this dissertation is the development of a fireproof composite structural system. Sandwich panels made with polysialate matrices have an excellent potential for use in applications where exposure to high temperatures or fire is a concern. Commercial available sandwich panels will soften and lose nearly all of their compressive strength temperatures lower than 400°C. This dissertation consists of the state of the art, the experimental investigation and the analytical modeling. The state of the art covers the performance of existing high temperature composites, sandwich panels and reinforced concrete beams strengthened with Fiber Reinforced Polymers (FRP). The experimental part consists of four major components: (i) Development of a fireproof syntactic foam with maximum specific strength, (ii) Development of a lightweight syntactic foam based on polystyrene spheres, (iii) Development of the composite system for the skins. The variables are the skin thickness, modulus of elasticity of skin and high temperature resistance, and (iv) Experimental evaluation of the flexural behavior of sandwich panels. Analytical modeling consists of a model for the flexural behavior of lightweight sandwich panels, and a model for deflection calculations of reinforced concrete beams strengthened with FRP subjected to fatigue loading. The experimental and analytical results show that sandwich panels made with polysialate matrices and ceramic spheres do not lose their load bearing capability during severe fire exposure, where temperatures reach several

A novel SOI pressure sensor for high temperature application

International Nuclear Information System (INIS)

Li Sainan; Liang Ting; Wang Wei; Hong Yingping; Zheng Tingli; Xiong Jijun

2015-01-01

The silicon on insulator (SOI) high temperature pressure sensor is a novel pressure sensor with high-performance and high-quality. A structure of a SOI high-temperature pressure sensor is presented in this paper. The key factors including doping concentration and power are analyzed. The process of the sensor is designed with the critical process parameters set appropriately. The test result at room temperature and high temperature shows that nonlinear error below is 0.1%, and hysteresis is less than 0.5%. High temperature measuring results show that the sensor can be used for from room temperature to 350 °C in harsh environments. It offers a reference for the development of high temperature piezoresistive pressure sensors. (semiconductor devices)

High temperature thermometric phosphors for use in a temperature sensor

Science.gov (United States)

Allison, Stephen W.; Cates, Michael R.; Boatner, Lynn A.; Gillies, George T.

1998-01-01

A high temperature phosphor consists essentially of a material having the general formula LuPO.sub.4 :Dy.sub.(x),Eu.sub.(y), wherein: 0.1 wt %.ltoreq.x.ltoreq.20 wt % and 0.1 wt %.ltoreq.y.ltoreq.20 wt %. The high temperature phosphor is in contact with an article whose temperature is to be determined. The article having the phosphor in contact with it is placed in the environment for which the temperature of the article is to be determined. The phosphor is excited by a laser causing the phosphor to fluoresce. The emission from the phosphor is optically focused into a beam-splitting mirror which separates the emission into two separate emissions, the emission caused by the dysprosium dopant and the emission caused by the europium dopent. The separated emissions are optically filtered and the intensities of the emission are detected and measured. The ratio of the intensity of each emission is determined and the temperature of the article is calculated from the ratio of the intensities of the separate emissions.

HIGH TEMPERATURE POLYMER FUEL CELLS

DEFF Research Database (Denmark)

Jensen, Jens Oluf; Qingfeng, Li; He, Ronghuan

2003-01-01

This paper will report recent results from our group on polymer fuel cells (PEMFC) based on the temperature resistant polymer polybenzimidazole (PBI), which allow working temperatures up to 200°C. The membrane has a water drag number near zero and need no water management at all. The high working...

Dependence of negative muon depolarization on molecular weight and temperature in organic compounds

International Nuclear Information System (INIS)

Djuraev, A.A.; Evseev, V.S.; Obukhov, Yu.V.; Roganov, V.S.

2009-01-01

An atomic capture of negative muons in the aliphatic spirit series, the dependence of muon rest polarization on the molecular weight of spirit have been studied. The temperature dependence of depolarization in benzole and styrene has been obtained. The results on depolarization are being interpreted basing on notions about chemical interactions of mesic atoms in organic compounds. (author)

Potentialities of high temperature reactors (HTR)

International Nuclear Information System (INIS)

Hittner, D.

2001-01-01

This articles reviews the assets of high temperature reactors concerning the amount of radioactive wastes produced. 2 factors favors HTR-type reactors: high thermal efficiency and high burn-ups. The high thermal efficiency is due to the high temperature of the coolant, in the case of the GT-MHR project (a cooperation between General Atomic, Minatom, Framatome, and Fuji Electric) designed to burn Russian military plutonium, the expected yield will be 47% with an outlet helium temperature of 850 Celsius degrees. The high temperature of the coolant favors a lot of uses of the heat generated by the reactor: urban heating, chemical processes, or desalination of sea water.The use of a HTR-type reactor in a co-generating way can value up to 90% of the energy produced. The high burn-up is due to the technology of HTR-type fuel that is based on encapsulation of fuel balls with heat-resisting materials. The nuclear fuel of Fort-Saint-Vrain unit (Usa) has reached values of burn-ups from 100.000 to 120.000 MWj/t. It is shown that the quantity of unloaded spent fuel can be divided by 4 for the same amount of electricity produced, in the case of the GT-MHR project in comparison with a light water reactor. (A.C.)

ASD-1000: High-resolution, high-temperature acetylene spectroscopic databank

Science.gov (United States)

Lyulin, O. M.; Perevalov, V. I.

2017-11-01

We present a high-resolution, high-temperature version of the Acetylene Spectroscopic Databank called ASD-1000. The databank contains the line parameters (position, intensity, Einstein coefficient for spontaneous emission, term value of the lower states, self- and air-broadening coefficients, temperature dependence exponents of the self- and air-broadening coefficients) of the principal isotopologue of C2H2. The reference temperature for line intensity is 296 K and the intensity cutoff is 10-27 cm-1/(molecule cm-2) at 1000 K. The databank has 33,890,981 entries and covers the 3-10,000 cm-1 spectral range. The databank is based on the global modeling of the line positions and intensities performed within the framework of the method of effective operators. The parameters of the effective Hamiltonian and the effective dipole moment operator have been fitted to the observed values of the line positions and intensities collected from the literature. The broadening coefficients as well as their temperature dependence exponents were calculated using the empirical equations. The databank is useful for studying high-temperature radiative properties of C2H2. ASD-1000 is freely accessible via the Internet site of V.E. Zuev Institute of Atmospheric Optics SB RAS ftp://ftp.iao.ru/pub/ASD1000/.

High-Temperature Growth of GaN and Al x Ga1- x N via Ammonia-Based Metalorganic Molecular-Beam Epitaxy

Science.gov (United States)

Billingsley, Daniel; Henderson, Walter; Doolittle, W. Alan

2010-05-01

The effect of high-temperature growth on the crystalline quality and surface morphology of GaN and Al x Ga1- x N grown by ammonia-based metalorganic molecular-beam epitaxy (NH3-MOMBE) has been investigated as a means of producing atomically smooth films suitable for device structures. The effects of V/III ratio on the growth rate and surface morphology are described herein. The crystalline quality of both GaN and AlGaN was found to mimic that of the GaN templates, with (002) x-ray diffraction (XRD) full-widths at half- maximum (FWHMs) of ~350 arcsec. Nitrogen-rich growth conditions have been found to provide optimal surface morphologies with a root-mean-square (RMS) roughness of ~0.8 nm, yet excessive N-rich environments have been found to reduce the growth rate and result in the formation of faceted surface pitting. AlGaN exhibits a decreased growth rate, as compared with GaN, due to increased N recombination as a result of the increased pyrolysis of NH3 in the presence of Al. AlGaN films grown directly on GaN templates exhibited Pendellösung x-ray fringes, indicating an abrupt interface and a planar AlGaN film. AlGaN films grown for this study resulted in an optimal RMS roughness of ~0.85 nm with visible atomic steps.

High-Temperature Lead-Free Solder Alternatives: Possibilities and Properties

DEFF Research Database (Denmark)

High-temperature solders have been widely used as joining materials to provide stable interconnections that resist a severe thermal environment and also to facilitate the drive for miniaturization. High-lead containing solders have been commonly used as high-temperature solders. The development...... of high-temperature lead-free solders has become an important issue for both the electronics and automobile industries because of the health and environmental concerns associated with lead usage. Unfortunately, limited choices are available as high-temperature lead-free solders. This work outlines...... the criteria for the evaluation of a new high-temperature lead-free solder material. A list of potential ternary high-temperature lead-free solder alternatives based on the Au-Sn and Au-Ge systems is proposed. Furthermore, a comprehensive comparison of the high-temperature stability of microstructures...

High temperature oxidation behavior of ODS steels

Science.gov (United States)

Kaito, T.; Narita, T.; Ukai, S.; Matsuda, Y.

2004-08-01

Oxide dispersion strengthened (ODS) steels are being developing for application as advanced fast reactor cladding and fusion blanket materials, in order to allow increased operation temperature. Oxidation testing of ODS steel was conducted under a controlled dry air atmosphere to evaluate the high temperature oxidation behavior. This showed that 9Cr-ODS martensitic steels and 12Cr-ODS ferritic steels have superior high temperature oxidation resistance compared to 11 mass% Cr PNC-FMS and 17 mass% Cr ferritic stainless steel. This high temperature resistance is attributed to earlier formation of the protective α-Cr 2O 3 on the outer surface of ODS steels.

Survey of high-temperature nuclear heat application

International Nuclear Information System (INIS)

Kirch, N.; Schaefer, M.

1984-01-01

Nuclear heat application at high temperatures can be divided into two areas - use of high-temperature steam up to 550 deg. C and use of high-temperature helium up to about 950 deg. C. Techniques of high-temperature steam and heat production and application are being developed in several IAEA Member States. In all these countries the use of steam for other than electricity production is still in a project definition phase. Plans are being discussed about using steam in chemical industries, oil refineries and for new synfuel producing plants. The use of nuclear generated steam for oil recovery from sands and shale is also being considered. High-temperature nuclear process heat production gives new possibilities for the application of nuclear energy - hard coals, lignites, heavy oils, fuels with problems concerning transport, handling and pollution can be converted into gaseous or liquid energy carriers with no loss of their energy contents. The main methods for this conversion are hydrogasification with hydrogen generated by nuclear heated steam reformers and steam gasification. These techniques will allow countries with large coal resources to replace an important part of their natural gas and oil consumption. Even countries with no fossil fuels can benefit from high-temperature nuclear heat - hydrogen production by thermochemical water splitting, nuclear steel making, ammonia production and the chemical heat-pipe system are examples in this direction. (author)

Adaptation to environmental temperature is a major determinant of molecular evolutionary rates in archaea.

Science.gov (United States)

Groussin, Mathieu; Gouy, Manolo

2011-09-01

Methods to infer the ancestral conditions of life are commonly based on geological and paleontological analyses. Recently, several studies used genome sequences to gain information about past ecological conditions taking advantage of the property that the G+C and amino acid contents of bacterial and archaeal ribosomal DNA genes and proteins, respectively, are strongly influenced by the environmental temperature. The adaptation to optimal growth temperature (OGT) since the Last Universal Common Ancestor (LUCA) over the universal tree of life was examined, and it was concluded that LUCA was likely to have been a mesophilic organism and that a parallel adaptation to high temperature occurred independently along the two lineages leading to the ancestors of Bacteria on one side and of Archaea and Eukarya on the other side. Here, we focus on Archaea to gain a precise view of the adaptation to OGT over time in this domain. It has been often proposed on the basis of indirect evidence that the last archaeal common ancestor was a hyperthermophilic organism. Moreover, many results showed the influence of environmental temperature on the evolutionary dynamics of archaeal genomes: Thermophilic organisms generally display lower evolutionary rates than mesophiles. However, to our knowledge, no study tried to explain the differences of evolutionary rates for the entire archaeal domain and to investigate the evolution of substitution rates over time. A comprehensive archaeal phylogeny and a non homogeneous model of the molecular evolutionary process allowed us to estimate ancestral base and amino acid compositions and OGTs at each internal node of the archaeal phylogenetic tree. The last archaeal common ancestor is predicted to have been hyperthermophilic and adaptations to cooler environments can be observed for extant mesophilic species. Furthermore, mesophilic species present both long branches and high variation of nucleotide and amino acid compositions since the last archaeal

Hardness of high-pressure high-temperature treated single-walled carbon nanotubes

International Nuclear Information System (INIS)

Kawasaki, S.; Nojima, Y.; Yokomae, T.; Okino, F.; Touhara, H.

2007-01-01

We have performed high-pressure high-temperature (HPHT) treatments of high quality single-walled carbon nanotubes (SWCNTs) over a wide pressure-temperature range up to 13 GPa-873 K and have investigated the hardness of the HPHT-treated SWCNTs using a nanoindentation technique. It was found that the hardness of the SWCNTs treated at pressures greater than 11 GPa and at temperatures higher than 773 K is about 10 times greater than that of the SWCNTs treated at low temperature. It was also found that the hardness change of the SWCNTs is related to the structural change by the HPHT treatments which was based on synchrotron X-ray diffraction measurements

High temperature resistant cermet and ceramic compositions

Science.gov (United States)

Phillips, W. M. (Inventor)

1978-01-01

Cermet compositions having high temperature oxidation resistance, high hardness and high abrasion and wear resistance, and particularly adapted for production of high temperature resistant cermet insulator bodies are presented. The compositions are comprised of a sintered body of particles of a high temperature resistant metal or metal alloy, preferably molybdenum or tungsten particles, dispersed in and bonded to a solid solution formed of aluminum oxide and silicon nitride, and particularly a ternary solid solution formed of a mixture of aluminum oxide, silicon nitride and aluminum nitride. Also disclosed are novel ceramic compositions comprising a sintered solid solution of aluminum oxide, silicon nitride and aluminum nitride.

Molecular Dynamics Approach in Designing Thermostable Aspergillus niger Xylanase

Science.gov (United States)

Malau, N. D.; Sianturi, M.

2017-03-01

Molecular dynamics methods we have applied as a tool in designing thermostable Aspergillus niger Xylanase, by examining Root Mean Square Deviation (RMSD) and The Stability of the Secondary Structure of enzymes structure at its optimum temperature and compare with its high temperature behavior. As RMSD represents structural fluctuation at a particular temperature, a better understanding of this factor will suggest approaches to bioengineer these enzymes to enhance their thermostability. In this work molecular dynamic simulations of Aspergillus niger xylanase (ANX) have been carried at 400K (optimum catalytic temperature) for 2.5 ns and 500K (ANX reported inactive temperature) for 2.5 ns. Analysis have shown that the Root Mean Square Deviation (RMSD) significant increase at higher temperatures compared at optimum temperature and some of the secondary structures of ANX that have been damaged at high temperature. Structural analysis revealed that the fluctuations of the α-helix and β-sheet regions are larger at higher temperatures compared to the fluctuations at optimum temperature.

The mRNA and miRNA transcriptomic landscape of Panax ginseng under the high ambient temperature.

Science.gov (United States)

Jung, Inuk; Kang, Hyejin; Kim, Jang Uk; Chang, Hyeonsook; Kim, Sun; Jung, Woosuk

2018-03-19

Ginseng is a popular traditional herbal medicine in north-eastern Asia. It has been used for human health for over thousands of years. With the rise in global temperature, the production of Korean ginseng (Panax ginseng C.A.Meyer) in Korea have migrated from mid to northern parts of the Korean peninsula to escape from the various higher temperature related stresses. Under the high ambient temperature, vegetative growth was accelerated, which resulted in early flowering. This precocious phase change led to yield loss. Despite of its importance as a traditional medicine, biological mechanisms of ginseng has not been well studied and even the genome sequence of ginseng is yet to be determined due to its complex genome structure. Thus, it is challenging to investigate the molecular biology mechanisms at the transcript level. To investigate how ginseng responds to the high ambient temperature environment, we performed high throughput RNA sequencing and implemented a bioinformatics pipeline for the integrated analysis of small-RNA and mRNA-seq data without a reference genome. By performing reverse transcriptase (RT) PCR and sanger sequencing of transcripts that were assembled using our pipeline, we validated that their sequences were expressed in our samples. Furthermore, to investigate the interaction between genes and non-coding small RNAs and their regulation status under the high ambient temperature, we identified potential gene regulatory miRNAs. As a result, 100,672 contigs with significant expression level were identified and 6 known, 214 conserved and 60 potential novel miRNAs were predicted to be expressed under the high ambient temperature. Collectively, we have found that development, flowering and temperature responsive genes were induced under high ambient temperature, whereas photosynthesis related genes were repressed. Functional miRNAs were down-regulated under the high ambient temperature. Among them are miR156 and miR396 that target flowering (SPL6

Dependence of mechanical characteristics from composition and structure and optimization of mechanical fracture energy of polymer composite material based on high-molecular rubbers

Directory of Open Access Journals (Sweden)

E. Nurullaev

2017-07-01

Full Text Available By means of numerical experiment the authors investigate dependence of conventional rupturing stress and mechanical fracture energy at uniaxial tension from fractional composition of dispersed filler, plasticizer volume fraction in polymer binder, effective density of transverse bonds, applied to development of covering for different purposes and with advanced service life in temperature range from 223 to 323 K. They compare mechanical characteristics of polymer composite materials (PCMs based on high- and low-molecular rubbers. It was shown that rupturing stress of high-molecular rubber-based PCM is of a higher magnitude than the stress of low-molecular rubber-based one at almost invariable rupturing deformation. Numerical simulation by variation of composition parameters and molecular structure enables evaluation of its maximum fracture energy which is 1000 times higher than mechanical fracture energy of similar composites based on low-molecular rubbers.

Laser-Machined Microcavities for Simultaneous Measurement of High-Temperature and High-Pressure

Directory of Open Access Journals (Sweden)

Zengling Ran

2014-08-01

Full Text Available Laser-machined microcavities for simultaneous measurement of high-temperature and high-pressure are demonstrated. These two cascaded microcavities are an air cavity and a composite cavity including a section of fiber and an air cavity. They are both placed into a pressure chamber inside a furnace to perform simultaneous pressure and high-temperature tests. The thermal and pressure coefficients of the short air cavity are ~0.0779 nm/°C and ~1.14 nm/MPa, respectively. The thermal and pressure coefficients of the composite cavity are ~32.3 nm/°C and ~24.4 nm/MPa, respectively. The sensor could be used to separate temperature and pressure due to their different thermal and pressure coefficients. The excellent feature of such a sensor head is that it can withstand high temperatures of up to 400 °C and achieve precise measurement of high-pressure under high temperature conditions.

Laser-machined microcavities for simultaneous measurement of high-temperature and high-pressure.

Science.gov (United States)

Ran, Zengling; Liu, Shan; Liu, Qin; Huang, Ya; Bao, Haihong; Wang, Yanjun; Luo, Shucheng; Yang, Huiqin; Rao, Yunjiang

2014-08-07

Laser-machined microcavities for simultaneous measurement of high-temperature and high-pressure are demonstrated. These two cascaded microcavities are an air cavity and a composite cavity including a section of fiber and an air cavity. They are both placed into a pressure chamber inside a furnace to perform simultaneous pressure and high-temperature tests. The thermal and pressure coefficients of the short air cavity are ~0.0779 nm/°C and ~1.14 nm/MPa, respectively. The thermal and pressure coefficients of the composite cavity are ~32.3 nm/°C and ~24.4 nm/MPa, respectively. The sensor could be used to separate temperature and pressure due to their different thermal and pressure coefficients. The excellent feature of such a sensor head is that it can withstand high temperatures of up to 400 °C and achieve precise measurement of high-pressure under high temperature conditions.

Development of high temperature turbine

Energy Technology Data Exchange (ETDEWEB)

Takahara, Kitao; Nouse, Hiroyuki; Yoshida, Toyoaki; Minoda, Mitsuhiro; Matsusue, Katsutoshi; Yanagi, Ryoji

1988-07-01

For the contribution to the development of FJR710, high by-pass ratio turbofan engine, with the study for many years of the development of high efficiency turbine for the jet engine, the first technical prize from the Energy Resource Research Committee was awarded in April, 1988. This report introduced its technical contents. In order to improve the thermal efficiency and enlarge the output, it is very effective to raise the gas temperature at the inlet of gas turbine. For its purpose, by cooling the nozzle and moving blades and having those blades operate at lower temperature than that of the working limitation, they realized, for the first time in Japan, the technique of cooling turbine to heighten the operational gas temperature. By that technique, it was enabled to raise the gas temperature at the inlet of turbine, to 1,350/sup 0/C from 850/sup 0/C. This report explain many important points of study covering the basic test, visualizing flow experiment, material discussion and structural design in the process of development. (9 figs)

Development of Safety Analysis Codes and Experimental Validation for a Very High Temperature Gas-Cooled Reactor

Energy Technology Data Exchange (ETDEWEB)

Chang, H. Oh, PhD; Cliff Davis; Richard Moore

2004-11-01

The very high temperature gas-cooled reactors (VHTGRs) are those concepts that have average coolant temperatures above 900 degrees C or operational fuel temperatures above 1250 degrees C. These concepts provide the potential for increased energy conversion efficiency and for high-temperature process heat application in addition to power generation and nuclear hydrogen generation. While all the High Temperature Gas Cooled Reactor (HTGR) concepts have sufficiently high temperatures to support process heat applications, such as desalination and cogeneration, the VHTGR's higher temperatures are suitable for particular applications such as thermochemical hydrogen production. However, the high temperature operation can be detrimental to safety following a loss-of-coolant accident (LOCA) initiated by pipe breaks caused by seismic or other events. Following the loss of coolant through the break and coolant depressurization, air from the containment will enter the core by molecular diffusion and ultimately by natural convection, leading to oxidation of the in-core graphite structures and fuel. The oxidation will release heat and accelerate the heatup of the reactor core. Thus, without any effective countermeasures, a pipe break may lead to significant fuel damage and fission product release. The Idaho National Engineering and Environmental Laboratory (INEEL) has investigated this event for the past three years for the HTGR. However, the computer codes used, and in fact none of the world's computer codes, have been sufficiently developed and validated to reliably predict this event. New code development, improvement of the existing codes, and experimental validation are imperative to narrow the uncertaninty in the predictions of this type of accident. The objectives of this Korean/United States collaboration are to develop advanced computational methods for VHTGR safety analysis codes and to validate these computer codes.

Temperature sensitivity of void nucleation and growth parameters for single crystal copper: a molecular dynamics study

International Nuclear Information System (INIS)

Rawat, S; Chavan, V M; Warrier, M; Chaturvedi, S

2011-01-01

The effect of temperature on the void nucleation and growth is studied using the molecular dynamics (MD) code LAMMPS (Large-Scale Atomic/Molecular Massively Parallel Simulator). Single crystal copper is triaxially expanded at 5 × 10 9  s −1 strain rate keeping the temperature constant. It is shown that the nucleation and growth of voids at these atomistic scales follows a macroscopic nucleation and growth (NAG) model. As the temperature increases there is a steady decrease in the nucleation and growth thresholds. As the melting point of copper is approached, a double-dip in the pressure–time profile is observed. Analysis of this double-dip shows that the first minimum corresponds to the disappearance of the long-range order due to the creation of stacking faults and the system no longer has a FCC structure. There is no nucleation of voids at this juncture. The second minimum corresponds to the nucleation and incipient growth of voids. We present the sensitivity of NAG parameters to temperature and the analysis of double-dip in the pressure–time profile for single crystal copper at 1250 K

A Splash to Nano-Sized Inorganic Energy-Materials by the Low-Temperature Molecular Precursor Approach.

Science.gov (United States)

Driess, Matthias; Panda, Chakadola; Menezes, Prashanth Wilfried

2018-05-07

The low-temperature synthesis of inorganic materials and their interfaces at the atomic and molecular level provides numerous opportunities for the design and improvement of inorganic materials in heterogeneous catalysis for sustainable chemical energy conversion or other energy-saving areas. Using suitable molecular precursors for functional inorganic nanomaterial synthesis allows for facile control over uniform particle size distribution, stoichiometry, and leads to desired chemical and physical properties. This minireview outlines some advantages of the molecular precursor approach in light of selected recent developments of molecule-to-nanomaterials synthesis for renewable energy applications, relevant for the oxygen evolution reaction (OER), hydrogen evolution reaction (HER) and overall water-splitting. © 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Plasma Temperature Determination of Hydrogen Containing High-Frequency Electrode less Lamps by Intensity Distribution Measurements of Hydrogen Molecular Band

International Nuclear Information System (INIS)

Gavare, Z.; Revalde, G.; Skudra, A.

2011-01-01

The goal of the present work was the investigation of the possibility to use intensity distribution of the Q-branch lines of the hydrogen Fulcher-a diagonal band (d3η u- a3Σg + electronic transition; Q-branch with ν=ν=2) to determine the temperature of hydrogen containing high-frequency electrode less lamps (HFEDLs). The values of the rotational temperatures have been obtained from the relative intensity distributions for hydrogen-helium and hydrogen-argon HFEDLs depending on the applied current. The results have been compared with the method of temperature derivation from Doppler profiles of He 667.8 nm and Ar 772.4 nm lines. The results of both methods are in good agreement, showing that the method of gas temperature determination from the intensity distribution in the hydrogen Fulcher-a (2-2)Q band can be used for the hydrogen containing HFEDLs. It was observed that the admixture of 10% hydrogen in the argon HFEDLs significantly reduces the gas temperature

Fluorine determination in coal using high-resolution graphite furnace molecular absorption spectrometry and direct solid sample analysis

Energy Technology Data Exchange (ETDEWEB)

Machado, Patrícia M.; Morés, Silvane; Pereira, Éderson R. [Departamento de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Welz, Bernhard, E-mail: w.bernardo@terra.com.br [Departamento de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, 40170-115 Salvador, BA (Brazil); Carasek, Eduardo [Departamento de Química, Universidade Federal de Santa Catarina, 88040-900 Florianópolis, SC (Brazil); Andrade, Jailson B. de [Instituto Nacional de Ciência e Tecnologia do CNPq, INCT de Energia e Ambiente, Universidade Federal da Bahia, 40170-115 Salvador, BA (Brazil)

2015-03-01

The absorption of the calcium mono-fluoride (CaF) molecule has been employed in this study for the determination of fluorine in coal using direct solid sample analysis and high-resolution continuum source graphite furnace molecular absorption spectrometry (HR-CS GF MAS). The rotational line at 606.440 nm was used for measuring the molecular absorption in the gas phase. The pyrolysis and vaporization temperatures were 700 °C and 2100 °C, respectively. Different chemical modifiers have been studied, such as Pd and Ir as permanent modifiers, and Pd and the mixed Pd/Mg modifier in solution. The limit of detection and the characteristic mass were 0.3 and 0.1 ng F, respectively. One certified reference material (CRM) of coal (NIST 1635) and four CRMs with a non-certified value for F (SARM 18, SARM 20, BCR 40, BCR 180) were used to evaluate the accuracy and precision of the method, obtaining good agreement (104%) with the certified value and with the informed values (ranging from 90 to 103%). - Highlights: • High-resolution Graphite Furnace Molecular Absorption Spectrometry (HR-GF MAS) • Fluorine has been determined using HR-GF MAS of the CaF molecule. • The CaF molecule was generated in a graphite furnace at a temperature of 2100 °C • Coal samples have been analyzed using direct solid sample introduction. • Aqueous standard solutions have been used for calibration.

High temperature battery. Hochtemperaturbatterie

Energy Technology Data Exchange (ETDEWEB)

Bulling, M.

1992-06-04

To prevent heat losses of a high temperature battery, it is proposed to make the incoming current leads in the area of their penetration through the double-walled insulating housing as thermal throttle, particularly spiral ones.

An Alternating 5,5-Dimethylcyclopentadiene-based Copolymer prepared at Room Temperature for High Performance Organic Thin Film Transistors

KAUST Repository

Fei, Zhuping; Chen, Lei; Han, Yang; Gann, Eliot; Chesman, Anthony; McNeill, Christopher R.; Anthopoulos, Thomas D.; Heeney, Martin; Pietrangelo, Agostino

2017-01-01

We report that the inclusion of non-aromatic 5,5-dimethylcyclopentadiene monomer into a conjugated backbone is an attractive strategy to high performance semiconducting polymers. The use of this monomer enables a room temperature Suzuki copolymerization with a diketopyrrolopyrrole comono-mer to afford a highly soluble, high molecular weight material. The resulting low band gap polymer exhibits excellent photo and thermal stability, and despite a large π-π stacking distance of 4.26 Å, it demonstrates excellent performance in thin-film transistor devices.

An Alternating 5,5-Dimethylcyclopentadiene-based Copolymer prepared at Room Temperature for High Performance Organic Thin Film Transistors

KAUST Repository

Fei, Zhuping

2017-06-05

We report that the inclusion of non-aromatic 5,5-dimethylcyclopentadiene monomer into a conjugated backbone is an attractive strategy to high performance semiconducting polymers. The use of this monomer enables a room temperature Suzuki copolymerization with a diketopyrrolopyrrole comono-mer to afford a highly soluble, high molecular weight material. The resulting low band gap polymer exhibits excellent photo and thermal stability, and despite a large π-π stacking distance of 4.26 Å, it demonstrates excellent performance in thin-film transistor devices.

Effects of molecular weight on the glass transition temperature in Durolon polycarbonate

International Nuclear Information System (INIS)

Miranda, Adelina; Sciani, Valdir

1995-01-01

The effect of variation of the dose rate on degradation mechanism of PC Durolon irradiated with gamma rays was determined trough out intrinsic viscosity and thermal analysis of DSC-type measurements. The results showed a linear relationship between the glass transition temperature and the viscosimetric average molecular weight. From the results it's shown that with an increased of the dose rate it also increases the degradation of the material. (author). 12 refs., 3 figs

New temperature monitoring devices for high-temperature irradiation experiments in the high flux reactor Petten

Energy Technology Data Exchange (ETDEWEB)

Laurie, M.; Futterer, M. A.; Lapetite, J. M. [European Commission Joint Research Centre, Institute for Energy, P.O. Box 2, NL-1755 ZG Petten (Netherlands); Fourrez, S. [THERMOCOAX SAS, BP 26, Planquivon, 61438 Flers Cedex (France); Morice, R. [Laboratoire National de Metrologie et d' Essais, 1 rue Gaston Boissier, 75724 Paris (France)

2009-07-01

Within the European High Temperature Reactor Technology Network (HTR-TN) and related projects a number of HTR fuel irradiations are planned in the High Flux Reactor Petten (HFR), The Netherlands, with the objective to explore the potential of recently produced fuel for even higher temperature and burn-up. Irradiating fuel under defined conditions to extremely high burn-ups will provide a better understanding of fission product release and failure mechanisms if particle failure occurs. After an overview of the irradiation rigs used in the HFR, this paper sums up data collected from previous irradiation tests in terms of thermocouple data. Some research and development work for further improvement of thermocouples and other on-line instrumentation will be outlined. (authors)

Continuous room-temperature operation of GaAs-Al/sub x/Ga1/sub -//sub x/As double-heterostructure lasers prepared by molecular-beam epitaxy

International Nuclear Information System (INIS)

Cho, A.Y.; Dixon, R.W.; Casey, H.C. Jr.; Hartman, R.L.

1976-01-01

The continuous (cw) operation at temperatures as high as 100 0 C of stripe-geometry GaAs-Al/sub x/Ga/sub 1-x/As double-heterostructure lasers fabricated by molecular-beam epitaxial (MBE) techniques has been achieved. Improved MBE laser performance was the result of the extensive efforts to eliminate hydrocarbon and water vapor from the growth apparatus. For 12-μm-wide stripe-geometry lasers with 380-μm-long cavities, the cw threshold currents varied between 163 and 297 mA at room temperature

Transport coefficients in high-temperature ionized air flows with electronic excitation

Science.gov (United States)

Istomin, V. A.; Oblapenko, G. P.

2018-01-01

Transport coefficients are studied in high-temperature ionized air mixtures using the modified Chapman-Enskog method. The 11-component mixture N2/N2+/N /N+/O2/O2+/O /O+/N O /N O+/e- , taking into account the rotational and vibrational degrees of freedom of molecules and electronic degrees of freedom of both atomic and molecular species, is considered. Using the PAINeT software package, developed by the authors of the paper, in wide temperature range calculations of the thermal conductivity, thermal diffusion, diffusion, and shear viscosity coefficients for an equilibrium ionized air mixture and non-equilibrium flow conditions for mixture compositions, characteristic of those in shock tube experiments and re-entry conditions, are performed. For the equilibrium air case, the computed transport coefficients are compared to those obtained using simplified kinetic theory algorithms. It is shown that neglecting electronic excitation leads to a significant underestimation of the thermal conductivity coefficient at temperatures higher than 25 000 K. For non-equilibrium test cases, it is shown that the thermal diffusion coefficients of neutral species and the self-diffusion coefficients of all species are strongly affected by the mixture composition, while the thermal conductivity coefficient is most strongly influenced by the degree of ionization of the flow. Neglecting electronic excitation causes noticeable underestimation of the thermal conductivity coefficient at temperatures higher than 20 000 K.

Spin Hall magnetoresistance at high temperatures

International Nuclear Information System (INIS)

Uchida, Ken-ichi; Qiu, Zhiyong; Kikkawa, Takashi; Iguchi, Ryo; Saitoh, Eiji

2015-01-01

The temperature dependence of spin Hall magnetoresistance (SMR) in Pt/Y 3 Fe 5 O 12 (YIG) bilayer films has been investigated in a high temperature range from room temperature to near the Curie temperature of YIG. The experimental results show that the magnitude of the magnetoresistance ratio induced by the SMR monotonically decreases with increasing the temperature and almost disappears near the Curie temperature. We found that, near the Curie temperature, the temperature dependence of the SMR in the Pt/YIG film is steeper than that of a magnetization curve of the YIG; the critical exponent of the magnetoresistance ratio is estimated to be 0.9. This critical behavior of the SMR is attributed mainly to the temperature dependence of the spin-mixing conductance at the Pt/YIG interface

High-pressure high-temperature experiments: Windows to the Universe

International Nuclear Information System (INIS)

Santaria-Perez, D.

2011-01-01

From Earth compositional arguments suggested by indirect methods, such as the propagation of seismic waves, is possible to generate in the laboratory pressure and temperature conditions similar to those of the Earth or other planet interiors and to study how these conditions affect to a certain metal or mineral. These experiments are, therefore, windows to the Universe. The aim of this chapter is to illustrate the huge power of the experimental high-pressure high-temperature techniques and give a global overview of their application to different geophysical fields. Finally, we will introduce the MALTA Consolider Team, which gather most of the Spanish high-pressure community, and present their available high-pressure facilities. (Author) 28 refs.

A Free-Radical Pathway to Hydrogenated Phenanthrene in Molecular Clouds-Low Temperature Growth of Polycyclic Aromatic Hydrocarbons.

Science.gov (United States)

Thomas, Aaron M; Lucas, Michael; Yang, Tao; Kaiser, Ralf I; Fuentes, Luis; Belisario-Lara, Daniel; Mebel, Alexander M

2017-08-05

The hydrogen-abstraction/acetylene-addition mechanism has been fundamental to unravelling the synthesis of polycyclic aromatic hydrocarbons (PAHs) detected in combustion flames and carbonaceous meteorites like Orgueil and Murchison. However, the fundamental reaction pathways accounting for the synthesis of complex PAHs, such as the tricyclic anthracene and phenanthrene along with their dihydrogenated counterparts, remain elusive to date. By investigating the hitherto unknown chemistry of the 1-naphthyl radical with 1,3-butadiene, we reveal a facile barrierless synthesis of dihydrophenanthrene adaptable to low temperatures. These aryl-type radical additions to conjugated hydrocarbons via resonantly stabilized free-radical intermediates defy conventional wisdom that PAH growth is predominantly a high-temperature phenomenon and thus may represent an overlooked path to PAHs as complex as coronene and corannulene in cold regions of the interstellar medium like in the Taurus Molecular Cloud. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

Healing of interfaces of high and ultra-high-molecular- weight polystyrene below the bulk glass transition temperature

DEFF Research Database (Denmark)

Boiko, Yuri M.; Lyngaae-Jørgensen, Jørgen

2004-01-01

into contact to themselves below the glass transition temperature T-g of the bulk Tg-bulk, in a lap-shear joint geometry, at a constant healing temperature T-h for a healing time t(h) of 10 min to 24 h. The lap-shear strength sigma of the symmetric HMWPS-HMWPS and UHMWPS-URMWPS interfaces has been measured...

In Situ Observation of Gypsum-Anhydrite Transition at High Pressure and High Temperature

Institute of Scientific and Technical Information of China (English)

LIU Chuan-Jiang; ZHENG Hai-Fei

2012-01-01

An in-situ Raman spectroscopic study of gypsum-anhydrite transition under a saturated water condition at high pressure and high temperature is performed using a hydrothermal diamond anvil cell (HDAC).The experimental results show that gypsum dissolvs in water at ambient temperature and above 496 MPa.With increasing temperature,the anhydrite (CaSO4) phase precipitates at 250 320℃ in the pressure range of 1.0 1.5 GPa,indicating that under a saturated water condition,both stable conditions of pressure and temperature and high levels of Ca and SO4 ion concentrations in aqueous solution are essential for the formation of anhydrite.A linear relationship between the pressure and temperature for the precipitation of anhydrite is established as P(GPa) =0.0068T - 0.7126 (250℃≤T≤320℃).Anhydrite remained stable during rapid cooling of the sample chamber,showing that the gypsum-anhydrite transition involving both dissolution and precipitation processes is irreversible at high pressure and high temperature.%An in-situ Raman spectroscopic study of gypsum-anhydrite transition under a saturated water condition at high pressure and high temperature is performed using a hydrothermal diamond anvil cell (HDAC). The experimental results show that gypsum dissolvs in water at ambient temperature and above 496 Mpa. With increasing temperature, the anhydrite (CaSO4) phase precipitates at 250-320℃ in the pressure range of 1.0-1.5 Gpa, indicating that under a saturated water condition, both stable conditions of pressure and temperature and high levels of Ca and SO4 ion concentrations in aqueous solution are essential for the formation of anhydrite. A linear relationship between the pressure and temperature for the precipitation of anhydrite is established as P(Gpa) = 0.0068T - 0.7126 (250℃≤T≤320℃). Anhydrite remained stable during rapid cooling of the sample chamber, showing that the gypsum-anhydrite transition involving both dissolution and precipitation processes is

Molecular beam epitaxy for high-performance Ga-face GaN electron devices

International Nuclear Information System (INIS)

Kaun, Stephen W; Speck, James S; Wong, Man Hoi; Mishra, Umesh K

2013-01-01

Molecular beam epitaxy (MBE) has emerged as a powerful technique for growing GaN-based high electron mobility transistor (HEMT) epistructures. Over the past decade, HEMT performance steadily improved, mainly through the optimization of device fabrication processes. Soon, HEMT performance will be limited by the crystalline quality of the epistructure. MBE offers heterostructure growth with highly abrupt interfaces, low point defect concentrations, and very low carbon and hydrogen impurity concentrations. Minimizing parasitic leakage pathways and resistances is essential in the growth of HEMTs for high-frequency and high-power applications. Through growth on native substrates with very low threading dislocation density, low-leakage HEMTs with very low on-resistance can be realized. Ga-rich plasma-assisted MBE (PAMBE) has been studied extensively, and it is clear that this technique has inherent limitations, including a high density of leakage pathways and a very small growth parameter space. Relatively new MBE growth techniques—high-temperature N-rich PAMBE and ammonia-based MBE—are being developed to circumvent the shortcomings of Ga-rich PAMBE. (invited review)

Symposium on high temperature and materials chemistry

International Nuclear Information System (INIS)

1989-10-01

This volume contains the written proceedings of the Symposium on High Temperature and Materials Chemistry held in Berkeley, California on October 24--25, 1989. The Symposium was sponsored by the Materials and Chemical Sciences Division of Lawrence Berkeley Laboratory and by the College of Chemistry of the University of California at Berkeley to discuss directions, trends, and accomplishments in the field of high temperature and materials chemistry. Its purpose was to provide a snapshot of high temperature and materials chemistry and, in so doing, to define status and directions

Symposium on high temperature and materials chemistry

Energy Technology Data Exchange (ETDEWEB)

1989-10-01

This volume contains the written proceedings of the Symposium on High Temperature and Materials Chemistry held in Berkeley, California on October 24--25, 1989. The Symposium was sponsored by the Materials and Chemical Sciences Division of Lawrence Berkeley Laboratory and by the College of Chemistry of the University of California at Berkeley to discuss directions, trends, and accomplishments in the field of high temperature and materials chemistry. Its purpose was to provide a snapshot of high temperature and materials chemistry and, in so doing, to define status and directions.

The determination of temperature stability of silver nanotubes by the molecular dynamics simulation

Science.gov (United States)

Filatov, O.; Soldatenko, S.; Soldatenko, O.

2018-04-01

Molecular dynamics simulation using the embedded-atom method is applied to study thermal stability of silver nanotubes and its coefficient of linear thermal expansion. The correspondence of face centered cubic structure potential for this task is tested. Three types of nanotubes are modelled: scrolled from graphene-like plane, scrolled from plane with cubic structure and cut from cylinder. It is established that only the last two of them are stable. The last one describes in details. There is critical temperature when free ends of the nanotube close but the interior surface retains. At higher temperatures, the interior surface collapses and the nanotube is unstable.

High-Operating Temperature HgCdTe: A Vision for the Near Future

Science.gov (United States)

Lee, D.; Carmody, M.; Piquette, E.; Dreiske, P.; Chen, A.; Yulius, A.; Edwall, D.; Bhargava, S.; Zandian, M.; Tennant, W. E.

2016-09-01

We review recent advances in the HgCdTe material quality and detector performance achieved at Teledyne using molecular beam epitaxy growth and the double-layer planar hetero-junction (DLPH) detector architecture. By using an un-doped, fully depleted absorber, Teledyne's DLPH architecture can be extended for use in high operating temperatures and other applications. We assess the potential achievable performance for long wavelength infrared (LWIR) hetero-junction p-lightly-doped n or p-intrinsic- n (p-i-n) detectors based on recently reported results for 10.7 μm cutoff 1 K × 1 K focal plane arrays (FPAs) tested at temperatures down to 30 K. Variable temperature dark current measurements show that any Shockley-Read-Hall currents in the depletion region of these devices have lifetimes that are reproducibly greater than 100 ms. Under the assumption of comparable lifetimes at higher temperatures, it is predicted that fully-depleted background radiation-limited performance can be expected for 10- μm cutoff detectors from room temperature to well below liquid nitrogen temperatures, with room-temperature dark current nearly 400 times lower than predicted by Rule 07. The hetero-junction p-i-n diode is shown to have numerous other significant potential advantages including minimal or no passivation requirements for pBn-like processing, low 1/ f noise, compatibility with small pixel pitch while maintaining high modulation transfer function, low crosstalk and good quantum efficiency. By appropriate design of the FPA dewar shielding, analysis shows that dark current can theoretically be further reduced below the thermal equilibrium radiative limit. Modeling shows that background radiation-limited LWIR HgCdTe operating with f/1 optics has the potential to operate within √2 of background-limited performance at 215 K. By reducing the background radiation by 2/3 using novel shielding methods, operation with a single-stage thermo-electric-cooler may be possible. If the

High-Pressure High-Temperature Phase Diagram of the Organic Crystal Paracetamol

Science.gov (United States)

Smith, Spencer; Montgomery, Jeffrey; Vohra, Yogesh

High-pressure high-temperature (HPHT) Raman spectroscopy studies have been performed on the organic crystal paracetamol in a diamond anvil cell utilizing boron-doped diamond as heating anvil. The HPHT data obtained from boron-doped diamond heater is cross-checked with data obtained using a standard block heater diamond anvil cell. Isobaric measurements were conducted at pressures up to 8.5 GPa and temperature up to 520 K in a number of different experiments. Solid state phase transitions from monoclinic Form I --> orthorhombic Form II were observed at various pressures and temperatures as well as transitions from Form II --> unknown Form IV. The melting temperature for paracetamol was observed to increase with increasing pressures to 8.5 GPa. Our previous angle dispersive x-ray diffraction studies at the Advanced Photon Source has confirmed the existence of two unknown crystal structures Form IV and Form V of paracetamol at high pressure and ambient temperature. The phase transformation from Form II to Form IV occurs at ~8.5 GPa and from Form IV to Form V occurs at ~11 GPa at ambient temperature. Our new data is combined with the previous ambient temperature high-pressure Raman and X- ray diffraction data to create the first HPHT phase diagram of paracetamol. Doe-NNSA Carnegie DOE Alliance Center (CDAC) under Grant Number DE-NA0002006.

High Temperature Strength of Oxide Dispersion Strengthened Aluminium

DEFF Research Database (Denmark)

Clauer, A.H.; Hansen, Niels

1984-01-01

constant (except for the material with the lowest oxide content). The high temperature values of the modulus-corrected yield stresses are approximately two-thirds of the low temperature value. During high temperature creep, there is a definite indication of a threshold stress. This threshold stress......The tensile flow stress of coarse-grained dispersion strengthened Al-Al2O3 materials were measured as a function of temperature (77–873 K) and volume fraction (0.19-0.92 vol.%) of aluminium oxide. For the same material, the creep strength was determined as a function of temperature in the range 573......–873 K. The modulus-corrected yield stress (0.01 offset) is found to be temperature independent at low temperature (195–472 K). Between 473 and 573 K, the yield stress starts to decrease with increasing temperature. At high temperatures (573–873 K), the modulus-corrected yield stress is approximately...

Growth temperature and dopant species effects on deep levels in Si grown by low temperature molecular beam epitaxy

International Nuclear Information System (INIS)

Chung, Sung-Yong; Jin, Niu; Rice, Anthony T.; Berger, Paul R.; Yu, Ronghua; Fang, Z-Q.; Thompson, Phillip E.

2003-01-01

Deep-level transient spectroscopy measurements were performed in order to investigate the effects of substrate growth temperature and dopant species on deep levels in Si layers during low-temperature molecular beam epitaxial growth. The structures studied were n + -p junctions using B doping for the p layer and p + -n junctions using P doping for the n layer. While the density of hole traps H1 (0.38-0.41 eV) in the B-doped p layers showed a clear increase with decreasing growth temperature from 600 to 370 degree sign C, the electron trap density was relatively constant. Interestingly, the minority carrier electron traps E1 (0.42-0.45 eV) and E2 (0.257 eV), found in the B-doped p layers, are similar to the majority carrier electron traps E11 (0.48 eV) and E22 (0.269 eV) observed in P-doped n layers grown at 600 degree sign C. It is hypothesized that these dominating electron traps are associated with pure divacancy defects and are independent of the dopant species

Temperature Dependence of Charge Localization in High-Mobility, Solution-Crystallized Small Molecule Semiconductors Studied by Charge Modulation Spectroscopy

DEFF Research Database (Denmark)

Meneau, Aurélie Y. B.; Olivier, Yoann; Backlund, Tomas

2016-01-01

In solution-processable small molecule semiconductors, the extent of charge carrier wavefunction localization induced by dynamic disorder can be probed spectroscopically as a function of temperature using charge modulation spectroscopy (CMS). Here, it is shown based on combined fi eld-effect tran......In solution-processable small molecule semiconductors, the extent of charge carrier wavefunction localization induced by dynamic disorder can be probed spectroscopically as a function of temperature using charge modulation spectroscopy (CMS). Here, it is shown based on combined fi eld......-effect transistor and CMS measurements as a function of temperature that in certain molecular semiconductors, such as solution-processible pentacene, charge carriers become trapped at low temperatures in environments in which the charges become highly localized on individual molecules, while in some other molecules...

Sintering of ultra high molecular weight polyethylene

Indian Academy of Sciences (India)

Abstract. Ultra high molecular weight polyethylene (UHMWPE) is a high performance polymer having low coefficient of friction, good abrasion resistance, good chemical ... In this study, we report our results on compaction and sintering behaviour of two grades of UHMWPE with reference to the powder morphology, sintering ...

High Temperature, Wireless Seismometer Sensor for Venus

Science.gov (United States)

Ponchak, George E.; Scardelletti, Maximilian C.; Taylor, Brandt; Beard, Steve; Meredith, Roger D.; Beheim, Glenn M.; Hunter Gary W.; Kiefer, Walter S.

2012-01-01

Space agency mission plans state the need to measure the seismic activity on Venus. Because of the high temperature on Venus (462? C average surface temperature) and the difficulty in placing and wiring multiple sensors using robots, a high temperature, wireless sensor using a wide bandgap semiconductor is an attractive option. This paper presents the description and proof of concept measurements of a high temperature, wireless seismometer sensor for Venus. A variation in inductance of a coil caused by the movement of an aluminum probe held in the coil and attached to a balanced leaf-spring seismometer causes a variation of 700 Hz in the transmitted signal from the oscillator/sensor system at 426? C. This result indicates that the concept may be used on Venus.

High temperature superconductors and other superfluids

CERN Document Server

Alexandrov, A S

2017-01-01

Written by eminent researchers in the field, this text describes the theory of superconductivity and superfluidity starting from liquid helium and a charged Bose-gas. It also discusses the modern bipolaron theory of strongly coupled superconductors, which explains the basic physical properties of high-temperature superconductors. This book will be of interest to fourth year graduate and postgraduate students, specialist libraries, information centres and chemists working in high-temperature superconductivity.

Effect of In-situ Cure on Measurement of Glass Transition Temperatures in High-temperature Thermosetting Polymers

Science.gov (United States)

2015-01-01

TEMPERATURES IN HIGH-TEMPERATURE THERMOSETTING POLYMERS 5a. CONTRACT NUMBER In-House 5b. GRANT NUMBER 5c. PROGRAM ELEMENT NUMBER 6. AUTHOR(S...illustrated the difficulties inherent in measurement of the glass transition temperature of this high-temperature thermosetting polymer via dynamic...copyright protection in the United States. EFFECT OF IN-SITU CURE ON MEASUREMENT OF GLASS TRANSITION TEMPERATURES IN HIGH-TEMPERATURE THERMOSETTING

High-mobility BaSnO{sub 3} grown by oxide molecular beam epitaxy

Energy Technology Data Exchange (ETDEWEB)

Raghavan, Santosh; Schumann, Timo; Kim, Honggyu; Zhang, Jack Y.; Cain, Tyler A.; Stemmer, Susanne, E-mail: stemmer@mrl.ucsb.edu [Materials Department, University of California, Santa Barbara, California 93106-5050 (United States)

2016-01-01

High-mobility perovskite BaSnO{sub 3} films are of significant interest as new wide bandgap semiconductors for power electronics, transparent conductors, and as high mobility channels for epitaxial integration with functional perovskites. Despite promising results for single crystals, high-mobility BaSnO{sub 3} films have been challenging to grow. Here, we demonstrate a modified oxide molecular beam epitaxy (MBE) approach, which supplies pre-oxidized SnO{sub x}. This technique addresses issues in the MBE of ternary stannates related to volatile SnO formation and enables growth of epitaxial, stoichiometric BaSnO{sub 3}. We demonstrate room temperature electron mobilities of 150 cm{sup 2} V{sup −1} s{sup −1} in films grown on PrScO{sub 3}. The results open up a wide range of opportunities for future electronic devices.

Quantitative Temperature Dependence of Longitudinal Spin Seebeck Effect at High Temperatures

Directory of Open Access Journals (Sweden)

Ken-ichi Uchida

2014-11-01

Full Text Available We report temperature-dependent measurements of longitudinal spin Seebeck effects (LSSEs in Pt/Y_{3}Fe_{5}O_{12} (YIG/Pt systems in a high temperature range from room temperature to above the Curie temperature of YIG. The experimental results show that the magnitude of the LSSE voltage in the Pt/YIG/Pt systems rapidly decreases with increasing the temperature and disappears above the Curie temperature. The critical exponent of the LSSE voltage in the Pt/YIG/Pt systems at the Curie temperature is estimated to be 3, which is much greater than that for the magnetization curve of YIG. This difference highlights the fact that the mechanism of the LSSE cannot be explained in terms of simple static magnetic properties in YIG.

High temperature homogenization improves impact toughness of vitamin E-diffused, irradiated UHMWPE.

Science.gov (United States)

Oral, Ebru; O'Brien, Caitlin; Doshi, Brinda; Muratoglu, Orhun K

2017-06-01

Diffusion of vitamin E into radiation cross-linked ultrahigh molecular weight polyethylene (UHMWPE) is used to increase stability against oxidation of total joint implant components. The dispersion of vitamin E throughout implant preforms has been optimized by a two-step process of doping and homogenization. Both of these steps are performed below the peak melting point of the cross-linked polymer (homogenization of antioxidant-doped, radiation cross-linked UHMWPE could improve its toughness. We found that homogenization at 300°C for 8 h resulted in an increase in the impact toughness (74 kJ/m 2 compared to 67 kJ/m 2 ), the ultimate tensile strength (50 MPa compared to 43 MPa) and elongation at break (271% compared to 236%). The high temperature treatment did not compromise the wear resistance or the oxidative stability as measured by oxidation induction time. In addition, the desired homogeneity was achieved at a much shorter duration (8 h compared to >240 h) by using high temperature homogenization. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc. J Orthop Res 35:1343-1347, 2017. © 2016 Orthopaedic Research Society. Published by Wiley Periodicals, Inc.

Novel polybenzimidazole derivatives for high temperature polymer electrolyte membrane fuel cell applications

Science.gov (United States)

Xiao, Lixiang

Recent advances have made polymer electrolyte membrane fuel cells (PEMFCs) a leading alternative to internal combustion engines for both stationary and transportation applications. In particular, high temperature polymer electrolyte membranes operational above 120°C without humidification offer many advantages including fast electrode kinetics, high tolerance to fuel impurities and simple thermal and water management systems. A series of polybenzimidazole (PBI) derivatives including pyridine-based PBI (PPBI) and sulfonated PBI (SPBI) homopolymers and copolymers have been synthesized using polyphosphoric acid (PPA) as both solvent and polycondensation agent. High molecular weight PBI derivative polymers were obtained with well controlled backbone structures in terms of pyridine ring content, polymer backbone rigidity and degree of sulfonation. A novel process, termed the PPA process, has been developed to prepare phosphoric acid (PA) doped PBI membranes by direct-casting of the PPA polymerization solution without isolation or re-dissolution of the polymers. The subsequent hydrolysis of PPA to PA by moisture absorbed from the atmosphere usually induced a transition from the solution-like state to a gel-like state and produced PA doped PBI membranes with a desirable suite of physiochemical properties characterized by the PA doping levels, mechanical properties and proton conductivities. The effects of the polymer backbone structure on the polymer characteristics and membrane properties, i.e., the structure-property relationships of the PBI derivative polymers have been studied. The incorporation of additional basic nitrogen containing pyridine rings and sulfonic acid groups enhanced the polymer solubility in acid and dipolar solvents while retaining the inherently high thermal stability of the PBI heteroaromatic backbone. In particular, the degradation of the SPBI polymers with reasonable high molecular weights commenced above 450°C, notably higher than other

Packaging Technologies for High Temperature Electronics and Sensors

Science.gov (United States)

Chen, Liangyu; Hunter, Gary W.; Neudeck, Philip G.; Beheim, Glenn M.; Spry, David J.; Meredith, Roger D.

2013-01-01

This paper reviews ceramic substrates and thick-film metallization based packaging technologies in development for 500degC silicon carbide (SiC) electronics and sensors. Prototype high temperature ceramic chip-level packages and printed circuit boards (PCBs) based on ceramic substrates of aluminum oxide (Al2O3) and aluminum nitride (AlN) have been designed and fabricated. These ceramic substrate-based chiplevel packages with gold (Au) thick-film metallization have been electrically characterized at temperatures up to 550degC. A 96% alumina based edge connector for a PCB level subsystem interconnection has also been demonstrated recently. The 96% alumina packaging system composed of chip-level packages and PCBs has been tested with high temperature SiC devices at 500degC for over 10,000 hours. In addition to tests in a laboratory environment, a SiC JFET with a packaging system composed of a 96% alumina chip-level package and an alumina printed circuit board mounted on a data acquisition circuit board was launched as a part of the MISSE-7 suite to the International Space Station via a Shuttle mission. This packaged SiC transistor was successfully tested in orbit for eighteen months. A spark-plug type sensor package designed for high temperature SiC capacitive pressure sensors was developed. This sensor package combines the high temperature interconnection system with a commercial high temperature high pressure stainless steel seal gland (electrical feed-through). Test results of a packaged high temperature capacitive pressure sensor at 500degC are also discussed. In addition to the pressure sensor package, efforts for packaging high temperature SiC diode-based gas chemical sensors are in process.

Promising materials for HTGR high temperature heat exchangers

International Nuclear Information System (INIS)

Kuznetsov, E.V.; Tokareva, T.B.; Ryabchenkov, A.V.; Novichkova, O.V.; Starostin, Yu.D.

1989-01-01

The service conditions for high-temperature heat-exchangers with helium coolant of HTGRs and requirements imposed on materials for their production are discussed. The choice of nickel-base alloys with solid-solution hardening for long-term service at high temperatures is grounded. Results of study on properties and structure of types Ni-25Cr-5W-5Mo and Ni-20Cr-20W alloy in the temperature range of 900 deg. - 1,000 deg. C are given. The ageing of Ni-25Cr-5W-5Mo alloy at 900 deg. - 950 deg. C results in decreased corrosion-mechanical properties and is caused by the change of structural metal stability. Alloy with 20% tungsten retains a high stability of both structure and properties after prolonged exposure in helium at above temperatures. The alloy has also increased resistance to delayed fracture and low-cycle fatigue at high temperatures. The developed alloy of type Ni-20Cr-20W with microalloying is recommended for production of tubes for HTGR high-temperature heat-exchangers with helium coolant. (author). 3 refs, 8 figs

Hydrogen separation from high temperature CO-containing syn-gas flow using molecular ceramic membranes

Energy Technology Data Exchange (ETDEWEB)

Soudarev, A.; Konakov, G.; Souryaninov, A.; Molchanov, A. [Boyko Research Engineering Ceramic Heat Engines Center Ltd., St. Petersburg (Russian Federation); Lelait, L.; Stevens, P.H. [European Inst. for Power Studies, Karlsruhe (Germany)

2006-07-01

Poisoning of the platinum (Pt) metals used as catalysts for proton exchange membrane fuel cells (PEMFCs) can negatively impact on PEMFC operation efficiency. In order to address this issue, a supply of hydrogen with a carbon monoxide (CO) admixtures is required. This paper provided details of a new type of molecular ceramic membrane (MCM) that allows the separation of hydrogen (H{sub 2}) from the hydrocarbon fuel reforming products that contain CO and has higher temperature and pressure capacity than other membranes. After various tests, alumo-magnesium spinel (AMS) was selected as the most promising porous material for the ceramic multi-layer membrane. The crystalline structure of the AMS showed good thermo-dynamic stability during tests that ranged between 20 and 1400 degrees C, as well as a chemical resistance relative to the effects of the aggressive fuel cell environment, and no exposure to the oxidation-recovery processes in the CO and H{sub 2} flow. The macroporous substrate of the AMS and the membrane selection layers have the same composition. The formation of the carrier was conducted by a semi-dry molding on a hydraulic press. Formation of the nano-porous structure in the carrier macro-pores by the polysilicon acid sol solution treatment allowed the synthesis of the amorphous silica and crystobalite crystals with a developed surface and nano-dimension subporosity. Test results have shown that the MCM has optimum penetrability and selectivity values as well as admissible thermo-mechanical properties. H{sub 2} flow through the membrane was 1.5-1.7 times greater than the CO flow. It was concluded that the AMS-based membrane devices will increase the efficiency of the PEMFC power plants and reduce their degradation capacity. 2 refs., 1 tab., 1 fig.

High temperature thermoelectric energy conversion

International Nuclear Information System (INIS)

Wood, C.

1986-01-01

Considerable advances were made in the late '50's and early early '60's in the theory and development of materials for high-temperature thermoelectric energy conversion. This early work culminated in a variety of materials, spanning a range of temperatures, with the product of the figure of merit, Z, and temperature, T, i.e., the dimensionless figure of merit, ZT, of the order of one. This experimental limitation appeared to be universal and led a number of investigators to explore the possibility that a ZT - also represents a theoretical limitation. It was found not to be so

High temperature and high pressure gas cell for quantitative spectroscopic measurements

DEFF Research Database (Denmark)

Christiansen, Caspar; Stolberg-Rohr, Thomine; Fateev, Alexander

2016-01-01

A high temperature and high pressure gas cell (HTPGC) has been manufactured for quantitative spectroscopic measurements in the pressure range 1-200 bar and temperature range 300-1300 K. In the present work the cell was employed at up to 100 bar and 1000 K, and measured absorption coefficients...... of a CO2-N2 mixture at 100 bar and 1000 K are revealed for the first time, exceeding the high temperature and pressure combinations previously reported. This paper discusses the design considerations involved in the construction of the cell and presents validation measurements compared against simulated...

High point for CERN and high-temperature superconductors

CERN Multimedia

2007-01-01

Amalia Ballarino is named the Superconductor Industry Person of the year 2006. Amalia Ballarino showing a tape of high-superconducting material used for the LHC current leads.The CERN project leader for the high-temperature superconducting current leads for the LHC, Amalia Ballarino, has received the award for "Superconductor Industry Person of the Year". This award, the most prestigious international award in the development and commercialization of superconductors, is presented by the leading industry newsletter "Superconductor Week". Amalia Ballarino was selected from dozens of nominations from around the world by a panel of recognized leading experts in superconductivity. "It is a great honour for me," says Amalia Ballarino. "It has been many years of hard work, and it’s a great satisfaction to see that the work has been completed successfully." Amalia Ballarino has been working on high-temperature superconducting materials sin...

Well-posed two-temperature constitutive equations for stable dense fluid shock waves using molecular dynamics and generalizations of Navier-Stokes-Fourier continuum mechanics.

Science.gov (United States)

Hoover, Wm G; Hoover, Carol G

2010-04-01

Guided by molecular dynamics simulations, we generalize the Navier-Stokes-Fourier constitutive equations and the continuum motion equations to include both transverse and longitudinal temperatures. To do so we partition the contributions of the heat transfer, the work done, and the heat flux vector between the longitudinal and transverse temperatures. With shockwave boundary conditions time-dependent solutions of these equations converge to give stationary shockwave profiles. The profiles include anisotropic temperature and can be fitted to molecular dynamics results, demonstrating the utility and simplicity of a two-temperature description of far-from-equilibrium states.

High-temperature fusion of a multielectron leviton

Science.gov (United States)

Moskalets, Michael

2018-04-01

The state of electrons injected onto the surface of the Fermi sea depends on temperature. The state is pure at zero temperature and is mixed at finite temperature. In the case of a single-electron injection, such a transformation can be detected as a decrease in shot noise with increasing temperature. In the case of a multielectron injection, the situation is subtler. The mixedness helps the development of quantum-mechanical exchange correlations between injected electrons, even if such correlations are absent at zero temperature. These correlations enhance the shot noise, which in part counteracts the reduction of noise with temperature. Moreover, at sufficiently high temperatures, the correlation contribution to noise predominates over the contribution of individual particles. As a result, in the system of N electrons, the apparent charge (which is revealed via the shot noise) is changed from e at zero temperature to N e at high temperatures. It looks like the exchange correlations glue electrons into one particle of total charge and energy. This point of view is supported by both charge noise and heat noise. Interestingly, in the macroscopic limit, N →∞ , the correlation contribution completely suppresses the effect of temperature on noise.

Molecular dynamics simulation of carbon molecular sieve preparation for air separation

International Nuclear Information System (INIS)

Yaghoobpour, Elham; Ahmadpour, Ali; Farhadian, Nafiseh; Shariaty-Niassar, Mojtaba

2015-01-01

Carbon deposition process on activated carbon (AC) in order to produce carbon molecular sieve (CMS) was simulated using molecular dynamics simulation. The proposed activated carbon for simulation includes micropores with different characteristic diameters and lengths. Three different temperatures of 773 K, 973 K, and 1,273 K were selected to investigate the optimum deposition temperature. Simulation results show that the carbon deposition process at 973 K creates the best adsorbent structure. While at lower temperature some micropore openings are blocked with carbon atoms, at higher temperature the number of deposited carbons on the micropores does not change significantly. Also, carbon deposition process confirms the pseudo-second-order kinetic model with an endothermic behavior. To evaluate the sieving property of adsorbent products, nitrogen and oxygen adsorption on the initial and final adsorbent products are examined. Results show that there is not any considerable difference between the equilibrium adsorption amounts of nitrogen and oxygen on the initial and final adsorbents especially at low pressure (P<10 atm). Although, adsorption kinetics curves of these gases change significantly after the carbon deposition process in comparison with the initial sample. These observations indicate that the final adsorbent has high selectivity towards oxygen compared with the nitrogen, so it can be called a carbon molecular sieve. All simulated results are in good agreement with experiments

Molecular dynamics simulation of carbon molecular sieve preparation for air separation

Energy Technology Data Exchange (ETDEWEB)

Yaghoobpour, Elham; Ahmadpour, Ali; Farhadian, Nafiseh [Ferdowsi University of Mashhad, Mashhad (Iran, Islamic Republic of); Shariaty-Niassar, Mojtaba [University of Tehran, Tehran(Iran, Islamic Republic of)

2015-03-15

Carbon deposition process on activated carbon (AC) in order to produce carbon molecular sieve (CMS) was simulated using molecular dynamics simulation. The proposed activated carbon for simulation includes micropores with different characteristic diameters and lengths. Three different temperatures of 773 K, 973 K, and 1,273 K were selected to investigate the optimum deposition temperature. Simulation results show that the carbon deposition process at 973 K creates the best adsorbent structure. While at lower temperature some micropore openings are blocked with carbon atoms, at higher temperature the number of deposited carbons on the micropores does not change significantly. Also, carbon deposition process confirms the pseudo-second-order kinetic model with an endothermic behavior. To evaluate the sieving property of adsorbent products, nitrogen and oxygen adsorption on the initial and final adsorbent products are examined. Results show that there is not any considerable difference between the equilibrium adsorption amounts of nitrogen and oxygen on the initial and final adsorbents especially at low pressure (P<10 atm). Although, adsorption kinetics curves of these gases change significantly after the carbon deposition process in comparison with the initial sample. These observations indicate that the final adsorbent has high selectivity towards oxygen compared with the nitrogen, so it can be called a carbon molecular sieve. All simulated results are in good agreement with experiments.

Room temperature high-detectivity mid-infrared photodetectors based on black arsenic phosphorus.

Science.gov (United States)

Long, Mingsheng; Gao, Anyuan; Wang, Peng; Xia, Hui; Ott, Claudia; Pan, Chen; Fu, Yajun; Liu, Erfu; Chen, Xiaoshuang; Lu, Wei; Nilges, Tom; Xu, Jianbin; Wang, Xiaomu; Hu, Weida; Miao, Feng

2017-06-01

The mid-infrared (MIR) spectral range, pertaining to important applications, such as molecular "fingerprint" imaging, remote sensing, free space telecommunication, and optical radar, is of particular scientific interest and technological importance. However, state-of-the-art materials for MIR detection are limited by intrinsic noise and inconvenient fabrication processes, resulting in high-cost photodetectors requiring cryogenic operation. We report black arsenic phosphorus-based long-wavelength IR photodetectors, with room temperature operation up to 8.2 μm, entering the second MIR atmospheric transmission window. Combined with a van der Waals heterojunction, room temperature-specific detectivity higher than 4.9 × 10 9 Jones was obtained in the 3- to 5-μm range. The photodetector works in a zero-bias photovoltaic mode, enabling fast photoresponse and low dark noise. Our van der Waals heterojunction photodetectors not only exemplify black arsenic phosphorus as a promising candidate for MIR optoelectronic applications but also pave the way for a general strategy to suppress 1/ f noise in photonic devices.

Low-temperature-cured highly conductive composite of Ag nanowires and polyvinyl alcohol

International Nuclear Information System (INIS)

He Song; Zhang Xiang; Yang Bingchu; Xu Xiaomei; Chen Hui; Zhou Conghua

2017-01-01

Flexible conductive films were fabricated from a low-temperature-cured, highly conductive composite of silver nanowires (as conducting filler) and polyvinyl alcohol (PVA, as binder). Sheet resistance of 0.12 Ω/sq, conductivity of 2.63×10 4 S/cm, and contact resistance of 1.0 Ω/cm 2 were measured in the films, along with excellent resistance to scratching and good flexibility, making them suitable electrical contact materials for flexible optoelectronic devices. Effects of curing temperature, curing duration, film thickness, and nanowire length on the film’s electrical properties were studied. Due to the abundance of hydroxyl groups on its molecular chains, the addition of PVA improves the film’s flexibility and resistance to scratching. Increased nanowire density and nanowire length benefit film conductance. Monte Carlo simulation was used to further explore the impact of these two parameters on the conductivity. It was observed that longer nanowires produce a higher length-ratio of conducting routes in the networks, giving better film conductivity. (paper)

Molecular electronics--resonant transport through single molecules.

Science.gov (United States)

Lörtscher, Emanuel; Riel, Heike

2010-01-01

The mechanically controllable break-junction technique (MCBJ) enables us to investigate charge transport through an individually contacted and addressed molecule in ultra-high vacuum (UHV) environment at variable temperature ranging from room temperature down to 4 K. Using a statistical measurement and analysis approach, we acquire current-voltage (I-V) characteristics during the repeated formation, manipulation, and breaking of a molecular junction. At low temperatures, voltages accessing the first molecular orbitals in resonance can be applied, providing spectroscopic information about the junction's energy landscape, in particular about the molecular level alignment in respect to the Fermi energy of the electrodes. Thereby, we can investigate the non-linear transport properties of various types of functional molecules and explore their potential use as functional building blocks for future nano-electronics. An example will be given by the reversible and controllable switching between two distinct conductive states of a single molecule. As a proof-of-principle for functional molecular devices, a single-molecule memory element will be demonstrated.

High Temperature Fluoride Salt Test Loop

Energy Technology Data Exchange (ETDEWEB)

Aaron, Adam M. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Cunningham, Richard Burns [Univ. of Tennessee, Knoxville, TN (United States); Fugate, David L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Holcomb, David Eugene [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Kisner, Roger A. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Peretz, Fred J. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Robb, Kevin R. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Wilson, Dane F. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States); Yoder, Jr, Graydon L. [Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)

2015-12-01

Effective high-temperature thermal energy exchange and delivery at temperatures over 600°C has the potential of significant impact by reducing both the capital and operating cost of energy conversion and transport systems. It is one of the key technologies necessary for efficient hydrogen production and could potentially enhance efficiencies of high-temperature solar systems. Today, there are no standard commercially available high-performance heat transfer fluids above 600°C. High pressures associated with water and gaseous coolants (such as helium) at elevated temperatures impose limiting design conditions for the materials in most energy systems. Liquid salts offer high-temperature capabilities at low vapor pressures, good heat transport properties, and reasonable costs and are therefore leading candidate fluids for next-generation energy production. Liquid-fluoride-salt-cooled, graphite-moderated reactors, referred to as Fluoride Salt Reactors (FHRs), are specifically designed to exploit the excellent heat transfer properties of liquid fluoride salts while maximizing their thermal efficiency and minimizing cost. The FHR s outstanding heat transfer properties, combined with its fully passive safety, make this reactor the most technologically desirable nuclear power reactor class for next-generation energy production. Multiple FHR designs are presently being considered. These range from the Pebble Bed Advanced High Temperature Reactor (PB-AHTR) [1] design originally developed by UC-Berkeley to the Small Advanced High-Temperature Reactor (SmAHTR) and the large scale FHR both being developed at ORNL [2]. The value of high-temperature, molten-salt-cooled reactors is also recognized internationally, and Czechoslovakia, France, India, and China all have salt-cooled reactor development under way. The liquid salt experiment presently being developed uses the PB-AHTR as its focus. One core design of the PB-AHTR features multiple 20 cm diameter, 3.2 m long fuel channels

HYFIRE: a tokamak-high-temperature electrolysis system

International Nuclear Information System (INIS)

Fillo, J.A.; Powell, J.R.; Steinberg, M.; Benenati, R.; Horn, F.; Isaacs, H.; Lazareth, O.W.; Makowitz, H.; Usher, J.

1980-01-01

Brookhaven National Laboratory (BNL) is carrying out a comprehensive conceptual design study called HYFIRE of a commercial fusion Tokamak reactor, high-temperature electrolysis system. The study is placing particular emphasis on the adaptability of the STARFIRE power reactor to a synfuel application. The HYFIRE blanket must perform three functions: (a) provide high-temperature (approx. 1400 0 C) process steam at moderate pressures (in the range of 10 to 30 atm) to the high-temperature electrolysis (HTE) units; (b) provide high-temperature (approx. 700 0 to 800 0 C) heat to a thermal power cycle for generation of electricity to the HTE units; and (c) breed enough tritium to sustain the D-T fuel cycle. In addition to thermal energy for the decomposition of steam into its constituents, H 2 and O 2 , electrical input is required. Fourteen hundred degree steam coupled with 40% power efficiency results in a process efficiency (conversion of fusion energy to hydrogen chemical energy) of 50%

HYFIRE: a tokamak-high-temperature electrolysis system

International Nuclear Information System (INIS)

Fillo, J.A.; Powell, J.R.; Steinberg, M.; Benenati, R.; Horn, F.; Isaacs, H.; Lazareth, O.W.; Makowitz, H.; Usher, J.

1980-01-01

Brookhaven National Laboratory (BNL) is carrying out a comprehensive conceptual design study called HYFIRE of a commercial fusion Tokamak reactor, high-temperature electrolysis system. The study is placing particular emphasis on the adaptability of the STARFIRE power reactor to a synfuel application. The HYFIRE blanket must perform three functions: (a) provide high-temperature (approx. 1400 0 C) process steam at moderate pressures (in the range of 10 to 30 atm) to the high-temperature electrolysis (HTE) units; (b) provide high-temperature (approx. 700 0 to 800 0 C) heat to a thermal power cycle for generation of electricity to the HTE units; and (c) breed enough tritium to sustain the D-T fuel cycle. In addition to thermal energy for the decomposition of steam into its constituents, H 2 and O 2 , electrical input is required. Fourteen hundred degree steam coupled with 40% power cycle efficiency results in a process efficiency (conversion of fusion energy to hydrogen chemical energy) of 50%

Conformational changes in acetylcholine binding protein investigated by temperature accelerated molecular dynamics.

Directory of Open Access Journals (Sweden)

Zeynab Mohammad Hosseini Naveh

Full Text Available Despite the large number of studies available on nicotinic acetylcholine receptors, a complete account of the mechanistic aspects of their gating transition in response to ligand binding still remains elusive. As a first step toward dissecting the transition mechanism by accelerated sampling techniques, we study the ligand-induced conformational changes of the acetylcholine binding protein (AChBP, a widely accepted model for the full receptor extracellular domain. Using unbiased Molecular Dynamics (MD and Temperature Accelerated Molecular Dynamics (TAMD simulations we investigate the AChBP transition between the apo and the agonist-bound state. In long standard MD simulations, both conformations of the native protein are stable, while the agonist-bound structure evolves toward the apo one if the orientation of few key sidechains in the orthosteric cavity is modified. Conversely, TAMD simulations initiated from the native conformations are able to produce the spontaneous transition. With respect to the modified conformations, TAMD accelerates the transition by at least a factor 10. The analysis of some specific residue-residue interactions points out that the transition mechanism is based on the disruption/formation of few key hydrogen bonds. Finally, while early events of ligand dissociation are observed already in standard MD, TAMD accelerates the ligand detachment and, at the highest TAMD effective temperature, it is able to produce a complete dissociation path in one AChBP subunit.

New Waste Calciner High Temperature Operation

International Nuclear Information System (INIS)

Swenson, M.C.

2000-01-01

A new Calciner flowsheet has been developed to process the sodium-bearing waste (SBW) in the INTEC Tank Farm. The new flowsheet increases the normal Calciner operating temperature from 500 C to 600 C. At the elevated temperature, sodium in the waste forms stable aluminates, instead of nitrates that melt at calcining temperatures. From March through May 2000, the new high-temperature flowsheet was tested in the New Waste Calcining Facility (NWCF) Calciner. Specific test criteria for various Calciner systems (feed, fuel, quench, off-gas, etc.) were established to evaluate the long-term operability of the high-temperature flowsheet. This report compares in detail the Calciner process data with the test criteria. The Calciner systems met or exceeded all test criteria. The new flowsheet is a visible, long-term method of calcining SBW. Implementation of the flowsheet will significantly increase the calcining rate of SBW and reduce the amount of calcine produced by reducing the amount of chemical additives to the Calciner. This will help meet the future waste processing milestones and regulatory needs such as emptying the Tank Farm

High-temperature plasma physics

International Nuclear Information System (INIS)