National Library of Energy BETA

Sample records for vapor-phase diffusion mechanisms

  1. A review of porous media enhanced vapor-phase diffusion mechanisms...

    Office of Scientific and Technical Information (OSTI)

    data: Does enhanced vapor-phase diffusion exist? Citation Details In-Document Search Title: A review of porous media enhanced vapor-phase diffusion mechanisms, models, and data: ...

  2. COMBINED THEORETICAL AND EXPERIMENTAL INVESTIGATION OF MECHANISMS AND KINETICS OF VAPOR-PHASE MERCURY UPTAKE BY CARBONACOUES SURFACES

    SciTech Connect (OSTI)

    Radisav D. Vidic

    2002-05-01

    The first part of this study evaluated the application of a versatile optical technique to study the adsorption and desorption of model adsorbates representative of volatile polar (acetone) and non-polar (propane) organic compounds on a model carbonaceous surface under ultra high vacuum (UHV) conditions. The results showed the strong correlation between optical differential reflectance (ODR) and adsorbate coverage determined by temperature programmed desorption (TPD). ODR technique was proved to be a powerful tool to investigate surface adsorption and desorption from UHV to high pressure conditions. The effects of chemical functionality and surface morphology on the adsorption/desorption behavior of acetone, propane and mercury were investigated for two model carbonaceous surfaces, namely air-cleaved highly oriented pyrolytic graphite (HOPG) and plasma-oxidized HOPG. They can be removed by thermal treatment (> 500 K). The presence of these groups almost completely suppresses propane adsorption at 90K and removal of these groups leads to dramatic increase in adsorption capacity. The amount of acetone adsorbed is independent of surface heat treatment and depends only on total exposure. The effects of morphological heterogeneity is evident for plasma-oxidized HOPG as this substrate provides greater surface area, as well as higher energy binding sites. Mercury adsorption at 100 K on HOPG surfaces with and without chemical functionalities and topological heterogeneity created by plasma oxidation occurs through physisorption. The removal of chemical functionalities from HOPG surface enhances mercury physisorption. Plasma oxidation of HOPG provides additional surface area for mercury adsorption. Mercury adsorption by activated carbon at atmospheric pressure occurs through two distinct mechanisms, physisorption below 348 K and chemisorption above 348 K. No significant impact of oxygen functionalities was observed in the chemisorption region. The key findings of this study

  3. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K.

    1991-01-01

    Volatilized metal compounds retard vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  4. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, B.K.

    1991-12-17

    Volatilized metal compounds are described which are capable of retarding vapor phase alkane conversion reactions in oxidative coupling processes that convert lower alkanes to higher hydrocarbons.

  5. Mechanistic aspects of vapor phase lubrication of silicon. (Conference...

    Office of Scientific and Technical Information (OSTI)

    Mechanistic aspects of vapor phase lubrication of silicon. Citation Details In-Document Search Title: Mechanistic aspects of vapor phase lubrication of silicon. No abstract ...

  6. Monitoring of vapor phase polycyclic aromatic hydrocarbons

    DOE Patents [OSTI]

    Vo-Dinh, Tuan; Hajaligol, Mohammad R.

    2004-06-01

    An apparatus for monitoring vapor phase polycyclic aromatic hydrocarbons in a high-temperature environment has an excitation source producing electromagnetic radiation, an optical path having an optical probe optically communicating the electromagnetic radiation received at a proximal end to a distal end, a spectrometer or polychromator, a detector, and a positioner coupled to the first optical path. The positioner can slidably move the distal end of the optical probe to maintain the distal end position with respect to an area of a material undergoing combustion. The emitted wavelength can be directed to a detector in a single optical probe 180.degree. backscattered configuration, in a dual optical probe 180.degree. backscattered configuration or in a dual optical probe 90.degree. side scattered configuration. The apparatus can be used to monitor an emitted wavelength of energy from a polycyclic aromatic hydrocarbon as it fluoresces in a high temperature environment.

  7. Underwater vapor phase burning of aluminum particles and on aluminum ignition during steam explosions

    SciTech Connect (OSTI)

    Epstein, M. )

    1991-09-01

    Recently reported experimental studies on aluminum-water steam explosions indicate that there may be a critical metal temperature at which the process changes over from a physical explosion to one which is very violent and involves the rapid liberation of chemical energy. In this report we examine the hypothesis that vapor-phase burning of aluminum is a necessary condition for the occurrence of such ignition-type'' steam explosions. An available two-phase stagnation flow film-boiling model is used to calculate the steam flux to the vaporizing aluminum surface. Combining this calculation with the notion that there is an upper limit to the magnitude of the metal vaporization rate at which the reaction regime must change from vapor phase to surface burning, leads to prediction of the critical metal surface temperature below which vapor phase burning is impossible. The critical temperature is predicted for both the aluminum-water pre-mixture configuration in which coarse drops of aluminum are falling freely through water and for the finely-fragmented aluminum drops in the wake of the pressure shock that triggers'' the explosion. Vapor phase burning is predicted to be possible during the pre-mixture phase but not very likely during the trigger phase of a steam explosion. The implications of these findings in terms of the validity of the hypothesis that ignition may begin with the vapor phase burning of aluminum is discussed. Recently postulated, alternative mechanisms of underwater aluminum ignition are also discussed.

  8. Underwater vapor phase burning of aluminum particles and on aluminum ignition during steam explosions

    SciTech Connect (OSTI)

    Epstein, M.

    1991-09-01

    Recently reported experimental studies on aluminum-water steam explosions indicate that there may be a critical metal temperature at which the process changes over from a physical explosion to one which is very violent and involves the rapid liberation of chemical energy. In this report we examine the hypothesis that vapor-phase burning of aluminum is a necessary condition for the occurrence of such ``ignition-type`` steam explosions. An available two-phase stagnation flow film-boiling model is used to calculate the steam flux to the vaporizing aluminum surface. Combining this calculation with the notion that there is an upper limit to the magnitude of the metal vaporization rate at which the reaction regime must change from vapor phase to surface burning, leads to prediction of the critical metal surface temperature below which vapor phase burning is impossible. The critical temperature is predicted for both the aluminum-water pre-mixture configuration in which coarse drops of aluminum are falling freely through water and for the finely-fragmented aluminum drops in the wake of the pressure shock that ``triggers`` the explosion. Vapor phase burning is predicted to be possible during the pre-mixture phase but not very likely during the trigger phase of a steam explosion. The implications of these findings in terms of the validity of the hypothesis that ignition may begin with the vapor phase burning of aluminum is discussed. Recently postulated, alternative mechanisms of underwater aluminum ignition are also discussed.

  9. Liquid-phase compositions from vapor-phase analyses

    SciTech Connect (OSTI)

    Davis, W. Jr. ); Cochran, H.D. )

    1990-02-01

    Arsenic normally is not considered to be a contaminant. However, because arsenic was found in many cylinders of UF{sub 6}, including in corrosion products, a study was performed of the distribution of the two arsenic fluorides, AsF{sub 3} and AsF{sub 5}, between liquid and vapor phases. The results of the study pertain to condensation or vaporization of liquid UF{sub 6}. This study includes use of various experimental data plus many extrapolations necessitated by the meagerness of the experimental data. The results of this study provide additional support for the vapor-liquid equilibrium model of J.M. Prausnitz and his coworkers as a means of describing the distribution of various impurities between vapor and liquid phases of UF{sub 6}. Thus, it is concluded that AsF{sub 3} will tend to concentrate in the liquid phase but that the concentration of AsF{sub 5} in the vapor phase will exceed its liquid-phase concentration by a factor of about 7.5, which is in agreement with experimental data. Because the weight of the liquid phase in a condensation operation may be in the range of thousands of times that of the vapor phase, most of any AsF{sub 5} will be in the liquid phase in spite of this separation factor of 7.5. It may also be concluded that any arsenic fluorides fed into a uranium isotope separation plant will either travel with other low-molecular-weight gases or react with materials present in the plant. 25 refs., 3 figs., 6 tabs.

  10. MEMS Lubrication by In-Situ Tribochemical Reactions From the Vapor Phase.

    SciTech Connect (OSTI)

    Dugger, Michael T.; Asay, David B.; Kim, Seong H.

    2008-01-01

    Vapor Phase Lubrication (VPL) of silicon surfaces with pentanol has been demonstrated. Two potential show stoppers with respect to application of this approach to real MEMS devices have been investigated. Water vapor was found to reduce the effectiveness of VPL with alcohol for a given alcohol concentration, but the basic reaction mechanism observed in water-free environments is still active, and devices operated much longer in mixed alcohol and water vapor environments than with chemisorbed monolayer lubricants alone. Complex MEMS gear trains were successfully lubricated with alcohol vapors, resulting in a factor of 104 improvement in operating life without failure. Complex devices could be made to fail if operated at much higher frequencies than previously used, and there is some evidence that the observed failure is due to accumulation of reaction products at deeply buried interfaces. However, if hypothetical reaction mechanisms involving heated surfaces are valid, then the failures observed at high frequency may not be relevant to operation at normal frequencies. Therefore, this work demonstrates that VPL is a viable approach for complex MEMS devices in conventional packages. Further study of the VPL reaction mechanisms are recommended so that the vapor composition may be optimized for low friction and for different substrate materials with potential application to conventionally fabricated, metal alloy parts in weapons systems. Reaction kinetics should be studied to define effective lubrication regimes as a function of the partial pressure of the vapor phase constituent, interfacial shear rate, substrate composition, and temperature.

  11. Vapor phase elemental sulfur amendment for sequestering mercury in contaminated soil

    SciTech Connect (OSTI)

    Looney, Brian B.; Denham, Miles E.; Jackson, Dennis G.

    2014-07-08

    The process of treating elemental mercury within the soil is provided by introducing into the soil a heated vapor phase of elemental sulfur. As the vapor phase of elemental sulfur cools, sulfur is precipitated within the soil and then reacts with any elemental mercury thereby producing a reaction product that is less hazardous than elemental mercury.

  12. AlGaAsSb/GaSb Distributed Bragg Reflectors Grown by Organometallic Vapor Phase Epitaxy

    SciTech Connect (OSTI)

    C.A. Wang; C.J. Vineis; D.R. Calawa

    2002-02-13

    The first AlGaAsSb/GaSb quarter-wave distributed Bragg reflectors grown by metallic vapor phase epitaxy are reported. The peak reflectance is 96% for a 10-period structure.

  13. Mechanisms of Stochastic Diffusion of Energetic Ions in Spherical Tori

    SciTech Connect (OSTI)

    Ya.I. Kolesnichenko; R.B. White; Yu.V. Yakovenko

    2001-01-18

    Stochastic diffusion of the energetic ions in spherical tori is considered. The following issues are addressed: (I) Goldston-White-Boozer diffusion in a rippled field; (ii) cyclotron-resonance-induced diffusion caused by the ripple; (iii) effects of non-conservation of the magnetic moment in an axisymmetric field. It is found that the stochastic diffusion in spherical tori with a weak magnetic field has a number of peculiarities in comparison with conventional tokamaks; in particular, it is characterized by an increased role of mechanisms associated with non-conservation of the particle magnetic moment. It is concluded that in current experiments on National Spherical Torus eXperiment (NSTX) the stochastic diffusion does not have a considerable influence on the confinement of energetic ions.

  14. Dynamics and diffusion mechanism of low-density liquid silicon

    SciTech Connect (OSTI)

    Shen, B.; Wang, Z. Y.; Dong, F.; Guo, Y. R.; Zhang, R. J.; Zheng, Y. X.; Wang, S. Y.; Wang, C. Z.; Ho, K. M.; Chen, L. Y.

    2015-11-05

    A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using the classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.

  15. Dynamics and diffusion mechanism of low-density liquid silicon

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Shen, B.; Wang, Z. Y.; Dong, F.; Guo, Y. R.; Zhang, R. J.; Zheng, Y. X.; Wang, S. Y.; Wang, C. Z.; Ho, K. M.; Chen, L. Y.

    2015-11-05

    A first-order phase transition from a high-density liquid to a low-density liquid has been proposed to explain the various thermodynamic anomies of water. It also has been proposed that such liquid–liquid phase transition would exist in supercooled silicon. Computer simulation studies show that, across the transition, the diffusivity drops roughly 2 orders of magnitude, and the structures exhibit considerable tetrahedral ordering. The resulting phase is a highly viscous, low-density liquid silicon. Investigations on the atomic diffusion of such a novel form of liquid silicon are of high interest. Here we report such diffusion results from molecular dynamics simulations using themore » classical Stillinger–Weber (SW) potential of silicon. We show that the atomic diffusion of the low-density liquid is highly correlated with local tetrahedral geometries. We also show that atoms diffuse through hopping processes within short ranges, which gradually accumulate to an overall random motion for long ranges as in normal liquids. There is a close relationship between dynamical heterogeneity and hopping process. We point out that the above diffusion mechanism is closely related to the strong directional bonding nature of the distorted tetrahedral network. Here, our work offers new insights into the complex behavior of the highly viscous low density liquid silicon, suggesting similar diffusion behaviors in other tetrahedral coordinated liquids that exhibit liquid–liquid phase transition such as carbon and germanium.« less

  16. Ar{sup +}-irradiation-induced damage in hydride vapor-phase epitaxy GaN films

    SciTech Connect (OSTI)

    Nakano, Yoshitaka Ogawa, Daisuke; Nakamura, Keiji; Kawakami, Retsuo; Niibe, Masahito

    2015-07-15

    The authors have investigated the electrical characteristics of hydride vapor-phase epitaxy GaN films exposed to Ar{sup +} irradiation, employing Schottky barrier diodes. The Ar{sup +} irradiation tends to largely increase the effective carrier concentration in the near surface region of GaN up to ∼25 nm, due to the generation of donor-type N vacancy defects, compared to the original value before the irradiation. More interestingly, acceptor-type deep-level defects are found to be formed at ∼2.1, ∼2.9, and ∼3.2 eV below the conduction band in the subsequently deeper region, in which Ga vacancies introduced by the Ar{sup +} irradiation are considered to be in-diffused and immediately combined with hydrogen. These N vacancies and hydrogenated Ga vacancies formed are dominantly responsible for changing the depth profiles of the effective carrier concentration via the carrier generation, the carrier trapping, and/or carrier compensation.

  17. Engineering work plan for tank 241-C-103 vapor phase characterization (ECN 613188). Revision 1

    SciTech Connect (OSTI)

    Conrad, R.B.

    1994-10-05

    The tasks described by this work plan have been completed. The purpose of this revision it to document what actually occurred during the performance of this work plan. The scope was and is limited to phases 1 and 2 as described in the program plan, revision 1. Phases 1 and 2 include the tank 241-C-103 (C-103) vapor. For economic and as low as reasonably achievable (ALARA) reasons, we will limit our scope to characterize the C-103 vapor phase for the categories that could be expected to impact facility worker safety from a toxicological and flammability standpoint. In anticipation that a vapor treatment system may be required, categories necessary for design will also be included. It will be the intent of the C-103 vapor characterization program to: (1) identify the substances from the above list of categories that are applicable to the issues involving C-103, and (2) implement a phased plan which will develop the organic vapor phase characterization method and then characterize the organics and the other selected substances to the required quantitative certainty.

  18. Hydride vapor phase GaN films with reduced density of residual electrons and deep traps

    SciTech Connect (OSTI)

    Polyakov, A. Y.; Smirnov, N. B.; Govorkov, A. V.; Yugova, T. G.; Cox, H.; Helava, H.; Makarov, Yu.; Usikov, A. S.

    2014-05-14

    Electrical properties and deep electron and hole traps spectra are compared for undoped n-GaN films grown by hydride vapor phase epitaxy (HVPE) in the regular process (standard HVPE samples) and in HVPE process optimized for decreasing the concentration of residual donor impurities (improved HVPE samples). It is shown that the residual donor density can be reduced by optimization from ?10{sup 17}?cm{sup ?3} to (25)??10{sup 14}?cm{sup ?3}. The density of deep hole traps and deep electron traps decreases with decreased donor density, so that the concentration of deep hole traps in the improved samples is reduced to ?5??10{sup 13}?cm{sup ?3} versus 2.9??10{sup 16}?cm{sup ?3} in the standard samples, with a similar decrease in the electron traps concentration.

  19. Growth of vertical-cavity surface emitting lasers by metalorganic vapor phase epitaxy

    SciTech Connect (OSTI)

    Hou, H.Q.; Hammons, B.E.; Crawford, M.H.; Lear, K.L.; Choquette, K.D.

    1996-10-01

    We present growth and characterization of visible and near-infrared vertical-cavity surface emitting lasers (VCSELs) grown by metalorganic vapor phase epitaxy. Discussions on the growth issue of VCSEL materials include growth rate and composition control using an {ital in}{ital situ} normal-incidence reflectometer, comprehensive p- and n-type doping study in AlGaAs by CCl{sub 4} and Si{sub 2}H{sub 6} over the entire composition range, and optimization of ultra-high material uniformity. We also demonstrate our recent achievements of all-AlGaAs VCSELs which include the first room-temperature continuous- wave demonstration of 700-nm red VCSELs and high-efficiency and low- threshold voltage 850-nm VCSELs.

  20. Carbon-Supported bimetallic Pd-Fe catalysts for vapor-phase hydrodeoxygenation of guaiacol

    SciTech Connect (OSTI)

    Sun, Junming; Karim, Ayman M.; Zhang, He; Kovarik, Libor; Li, Xiaohong S.; Hensley, Alyssa; McEwen, Jean-Sabin; Wang, Yong

    2013-10-01

    Abstract Carbon supported metal catalysts (Cu/C, Fe/C, Pd/C, Pt/C, PdFe/C and Ru/C) have been prepared, characterized and tested for vapor-phase hydrodeoxygenation (HDO) of guaiacol (GUA) at atmospheric pressure. Phenol was the major intermediate on all catalysts. Over the noble metal catalysts saturation of the aromatic ring was the major pathway observed at low temperature (250 C), forming predominantly cyclohexanone and cyclohexanol. Substantial ring opening reaction was observed on Pt/C and Ru/C at higher reaction temperatures (e.g., 350 C). Base metal catalysts, especially Fe/C, were found to exhibit high HDO activity without ring-saturation or ring-opening with the main products being benzene, phenol along with small amounts of cresol, toluene and trimethylbenzene (TMB). A substantial enhancement in HDO activity was observed on the PdFe/C catalysts. Compared with Fe/C, the yield to oxygen-free aromatic products (i.e., benzene/toluene/TMB) on PdFe/C increased by a factor of four at 350 C, and by approximately a factor of two (83.2% versus 43.3%) at 450 C. The enhanced activity of PdFe/C is attributed to the formation of PdFe alloy as evidenced by STEM, EDS and TPR.

  1. Radiation-induced defects in GaN bulk grown by halide vapor phase epitaxy

    SciTech Connect (OSTI)

    Duc, Tran Thien; Pozina, Galia; Son, Nguyen Tien; Janzn, Erik; Hemmingsson, Carl; Ohshima, Takeshi

    2014-09-08

    Defects induced by electron irradiation in thick free-standing GaN layers grown by halide vapor phase epitaxy were studied by deep level transient spectroscopy. In as-grown materials, six electron traps, labeled D2 (E{sub C}0.24?eV), D3 (E{sub C}0.60?eV), D4 (E{sub C}0.69?eV), D5 (E{sub C}0.96?eV), D7 (E{sub C}1.19?eV), and D8, were observed. After 2?MeV electron irradiation at a fluence of 1??10{sup 14?}cm{sup ?2}, three deep electron traps, labeled D1 (E{sub C}0.12?eV), D5I (E{sub C}0.89?eV), and D6 (E{sub C}1.14?eV), were detected. The trap D1 has previously been reported and considered as being related to the nitrogen vacancy. From the annealing behavior and a high introduction rate, the D5I and D6 centers are suggested to be related to primary intrinsic defects.

  2. Density functional theory calculations of stability and diffusion mechanisms of impurity atoms in Ge crystals

    SciTech Connect (OSTI)

    Maeta, Takahiro; Sueoka, Koji

    2014-08-21

    Ge-based substrates are being developed for applications in advanced nano-electronic devices because of their higher intrinsic carrier mobility than Si. The stability and diffusion mechanism of impurity atoms in Ge are not well known in contrast to those of Si. Systematic studies of the stable sites of 2nd to 6th row element impurity atoms in Ge crystal were undertaken with density functional theory (DFT) and compared with those in Si crystal. It was found that most of the impurity atoms in Ge were stable at substitutional sites, while transition metals in Si were stable at interstitial sites and the other impurity atoms in Si were stable at substitutional sites. Furthermore, DFT calculations were carried out to clarify the mechanism responsible for the diffusion of impurity atoms in Ge crystals. The diffusion mechanism for 3d transition metals in Ge was found to be an interstitial-substitutional diffusion mechanism, while in Si this was an interstitial diffusion mechanism. The diffusion barriers in the proposed diffusion mechanisms in Ge and Si were quantitatively verified by comparing them to the experimental values in the literature.

  3. Method of varying a characteristic of an optical vertical cavity structure formed by metalorganic vapor phase epitaxy

    DOE Patents [OSTI]

    Hou, Hong Q.; Coltrin, Michael E.; Choquette, Kent D.

    2001-01-01

    A process for forming an array of vertical cavity optical resonant structures wherein the structures in the array have different detection or emission wavelengths. The process uses selective area growth (SAG) in conjunction with annular masks of differing dimensions to control the thickness and chemical composition of the materials in the optical cavities in conjunction with a metalorganic vapor phase epitaxy (MOVPE) process to build these arrays.

  4. TREATMENT OF PRODUCED WATERS USING A SURFACTANT MODIFIED ZEOLITE/VAPOR PHASE BIOREATOR SYSTEM

    SciTech Connect (OSTI)

    LYNN E. KATZ; KERRY A. KINNEY; R.S. BOWMAN; E.J. SULLIVAN

    2003-10-01

    Co-produced water from the oil and gas industry is by some estimates the largest single waste stream in the country, aside from nonhazardous industrial wastes. Characteristics of produced water include high total dissolved solids content, dissolved organic constituents such as benzene and toluene, an oil and grease component, and chemicals added during the oil-production process. While most of the produced water is disposed via reinjection, some of them must be treated to remove organic constituents before the water is discharged. An efficient, cost-effective treatment technology is needed to remove these constituents. Surfactant-modified zeolite (SMZ) has been used successfully to treat contaminated ground water for organic and inorganic constituents. In addition, the low cost of natural zeolites makes their use attractive in water-treatment applications. Our previous DOE research work (DE-AC26-99BC15221) demonstrated that SMZ could successfully remove BTEX compounds from the produced water. In addition, SMZ could be regenerated through a simple air sparging process. The primary goal of this project is to develop a robust SMZ/VPB treatment system to efficiently remove the organic constituents from produced water in a cost-effective manner. This report summarizes work of this project from March 2003 through September 2003. We have continued our investigation of SMZ regeneration from our previous DOE project. Ten saturation/stripping cycles have been completed for SMZ columns saturated with BTEX compounds. The results suggest that BTEX sorption capacity is not lost after ten saturation/regeneration cycles. The composition of produced water from a site operated by Crystal Solutions Ltd. in Wyoming has been characterized and was used to identify key semi-volatile components. Isotherms with selected semi-volatile components have been initiated and preliminary results have been obtained. The experimental vapor phase bioreactors for this project have been designed and

  5. Treatment of Produced Water Using a Surfactant Modified Zeolite/Vapor Phase Bioreactor System

    SciTech Connect (OSTI)

    Lynn E. Katz; Kerry A. Kinney; Robert S. Bowman; Enid J. Sullivan; Soondong Kwon; Elaine B. Darby; Li-Jung Chen; Craig R. Altare

    2006-01-31

    Co-produced water from the oil and gas industry accounts for a significant waste stream in the United States. Produced waters typically contain a high total dissolved solids content, dissolved organic constituents such as benzene and toluene, an oil and grease component as well as chemicals added during the oil-production process. It has been estimated that a total of 14 billion barrels of produced water were generated in 2002 from onshore operations (Veil, 2004). Although much of this produced water is disposed via reinjection, environmental and cost considerations can make surface discharge of this water a more practical means of disposal. In addition, reinjection is not always a feasible option because of geographic, economic, or regulatory considerations. In these situations, it may be desirable, and often necessary from a regulatory viewpoint, to treat produced water before discharge. It may also be feasible to treat waters that slightly exceed regulatory limits for re-use in arid or drought-prone areas, rather than losing them to reinjection. A previous project conducted under DOE Contract DE-AC26-99BC15221 demonstrated that surfactant modified zeolite (SMZ) represents a potential treatment technology for produced water containing BTEX. Laboratory and field experiments suggest that: (1) sorption of benzene, toluene, ethylbenzene and xylenes (BTEX) to SMZ follows linear isotherms in which sorption increases with increasing solute hydrophobicity; (2) the presence of high salt concentrations substantially increases the capacity of the SMZ for BTEX; (3) competitive sorption among the BTEX compounds is negligible; and, (4) complete recovery of the SMZ sorption capacity for BTEX can be achieved by air sparging the SMZ. This report summarizes research for a follow on project to optimize the regeneration process for multiple sorption/regeneration cycles, and to develop and incorporate a vapor phase bioreactor (VPB) system for treatment of the off-gas generated during

  6. Treatment of Produced Waters Using a Surfactant Modified Zeolite/Vapor Phase Bioreactor System

    SciTech Connect (OSTI)

    Soondong Kwon; Elaine B. Darby; Li-Jung Chen; Lynn E. Katz; Kerry A. Kinney; R. S. Bowman; E. J. Sullivan

    2005-03-11

    second residence time, the GAC bed reduced peak contaminant concentrations by 97%. After the initial peak, the inlet VOC concentration in the SMZ regeneration gas stream drops exponentially with time. During this period, the contaminants on the GAC subsequently desorbed at a nearly steady rate over the next 45 hours resulting in a relatively steady effluent concentration of approximately 25 ppm{sub v}. This lower concentration is readily degradable by a downstream vapor phase biofilter (VPB) and the steady nature of the feed stream will prevent the biomass in the VPB from enduring starvation conditions between SMZ regeneration cycles. Repetitive sorption and desorption cycles that would be expected in the field were also investigated. It was determined that although the GAC initially lost some VOC sorption capacity, the adsorption and desorption profiles stabilized after approximately 6 cycles indicating that a GAC bed should be suitable for continuous operation. In preparation for the pilot field testing of the SMZ/VPB system, design, ''in-house'' construction and testing of the field system were completed during this project period. The design of the SMZ system for the pilot test was based on previous investigations by the PI's in Wyoming, 2002 and on analyses of the produced water at the field site in New Mexico. The field tests are scheduled for summer, 2005. A cost survey, feasibility of application and cost analyses were completed to investigate the long term effectiveness of the SMZ/VPB system as a method of treating produced water for re-use. Several factors were investigated, including: current costs to treat and dispose of produced water, end-use water quality requirements, and state and federal permitting requirements.

  7. Identification of vapor-phase chemical warfare agent simulants and rocket fuels using laser-induced breakdown spectroscopy

    SciTech Connect (OSTI)

    Stearns, Jaime A.; McElman, Sarah E.; Dodd, James A.

    2010-05-01

    Application of laser-induced breakdown spectroscopy (LIBS) to the identification of security threats is a growing area of research. This work presents LIBS spectra of vapor-phase chemical warfare agent simulants and typical rocket fuels. A large dataset of spectra was acquired using a variety of gas mixtures and background pressures and processed using partial least squares analysis. The five compounds studied were identified with a 99% success rate by the best method. The temporal behavior of the emission lines as a function of chamber pressure and gas mixture was also investigated, revealing some interesting trends that merit further study.

  8. ZnO/Cu(InGa)Se.sub.2 solar cells prepared by vapor phase Zn doping

    DOE Patents [OSTI]

    Ramanathan, Kannan; Hasoon, Falah S.; Asher, Sarah E.; Dolan, James; Keane, James C.

    2007-02-20

    A process for making a thin film ZnO/Cu(InGa)Se.sub.2 solar cell without depositing a buffer layer and by Zn doping from a vapor phase, comprising: depositing Cu(InGa)Se.sub.2 layer on a metal back contact deposited on a glass substrate; heating the Cu(InGa)Se.sub.2 layer on the metal back contact on the glass substrate to a temperature range between about 100.degree. C. to about 250.degree. C.; subjecting the heated layer of Cu(InGa)Se.sub.2 to an evaporant species from a Zn compound; and sputter depositing ZnO on the Zn compound evaporant species treated layer of Cu(InGa)Se.sub.2.

  9. The role of polymer formation during vapor phase lubrication of silicon.

    SciTech Connect (OSTI)

    Dugger, Michael Thomas; Dirk, Shawn M.; Ohlhausen, James Anthony

    2010-10-01

    The lubrication of silicon surfaces with alcohol vapors has recently been demonstrated. With a sufficient concentration of pentanol vapor present, sliding of a silica ball on an oxidized silicon wafer can proceed with no measurable wear. The initial results of time-of-flight secondary ion mass spectrometry (ToF-SIMS) analysis of wear surfaces revealed a reaction product having thickness on the order of a monolayer, and with an ion spectrum that included fragments having molecular weights of 200 or more that occurred only inside the wear tracks. The parent alcohol molecule pentanol, has molecular weight of 88amu, suggesting that reactions of adsorbed alcohols on the wearing surfaces allowed polymerization of the alcohols to form higher molecular weight species. In addition to pin-on-disk studies, lubrication of silicon surfaces with pentanol vapors has also been demonstrated using MicroElectroMechanical Systems (MEMS) devices. Recent investigations of the reaction mechanisms of the alcohol molecules with the oxidized silicon surfaces have shown that wearless sliding requires a concentration of the alcohol vapor that is dependent upon the contact stress during sliding, with higher stress requiring a greater concentration of alcohol. Different vapor precursors including those with acid functionality, olefins, and methyl termination also produce polymeric reaction products, and can lubricate the silica surfaces. Doping the operating environment with oxygen was found to quench the formation of the polymeric reaction product, and demonstrates that polymer formation is not necessary for wearless sliding.

  10. Impact of thermal annealing on bulk InGaAsSbN materials grown by metalorganic vapor phase epitaxy

    SciTech Connect (OSTI)

    Kim, T. W.; Mawst, L. J.; Kim, K.; Lee, J. J.; Kuech, T. F.; Wells, N. P.; LaLumondiere, S. D.; Sin, Y.; Lotshaw, W. T.; Moss, S. C.

    2014-02-03

    Two different thermal annealing techniques (rapid thermal annealing (RTA) and in-situ post-growth annealing in the metalorganic vapor phase epitaxy (MOVPE) chamber) were employed to investigate their impact on the optical characteristics of double-heterostructures (DH) of InGaAsSbN/GaAs and on the performance of single-junction solar cell structures, all grown by MOVPE. We find that an optimized RTA procedure leads to a similar improvement in the photoluminescence (PL) intensity compared with material employing a multi-step optimized anneal within the MOVPE reactor. Time-resolved photoluminescence techniques at low temperature (LT) and room temperature (RT) were performed to characterize the carrier dynamics in bulk InGaAsSbN layers. Room temperature carrier lifetimes were found to be similar for both annealing methods, although the LT-PL (16?K) measurements of the MOVPE-annealed sample found longer lifetimes than the RTA-annealed sample (680?ps vs. 260?ps) for the PL measurement energy of 1.24?eV. InGaAsSbN-based single junction solar cells processed with the optimized RTA procedure exhibited an enhancement of the electrical performance, such as improvements in open circuit voltage, short circuit current, fill factor, and efficiency over solar cells subjected to the in-situ MOVPE annealing technique.

  11. Chemical Species in the Vapor Phase of Hanford Double-Shell Tanks: Potential Impacts on Waste Tank Corrosion Processes

    SciTech Connect (OSTI)

    Felmy, Andrew R.; Qafoku, Odeta; Arey, Bruce W.; Boomer, Kayle D.

    2010-09-22

    The presence of corrosive and inhibiting chemicals on the tank walls in the vapor space, arising from the waste supernatant, dictate the type and degree of corrosion that occurs there. An understanding of how waste chemicals are transported to the walls and the affect on vapor species from changing supernatant chemistry (e.g., pH, etc.), are basic to the evaluation of risks and impacts of waste changes on vapor space corrosion (VSC). In order to address these issues the expert panel workshop on double-shell tank (DST) vapor space corrosion testing (RPP-RPT-31129) participants made several recommendations on the future data and modeling needs in the area of DST corrosion. In particular, the drying of vapor phase condensates or supernatants can form salt or other deposits at the carbon steel interface resulting in a chemical composition at the near surface substantially different from that observed directly in the condensates or the supernatants. As a result, over the past three years chemical modeling and experimental studies have been performed on DST supernatants and condensates to predict the changes in chemical composition that might occur as condensates or supernatants equilibrate with the vapor space species and dry at the carbon steel surface. The experimental studies included research on both the chemical changes that occurred as the supernatants dried as well as research on how these chemical changes impact the corrosion of tank steels. The chemical modeling and associated experimental studies were performed at the Pacific Northwest National Laboratory (PNNL) and the research on tank steel corrosion at the Savannah River National Laboratory (SRNL). This report presents a summary of the research conducted at PNNL with special emphasis on the most recent studies conducted in FY10. An overall summary of the project results as well as their broader implications for vapor space corrosion of the DSTs is given at the end of this report.

  12. Development of high-bandgap AlGaInP solar cells grown by organometallic vapor-phase epitaxy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Perl, Emmett E.; Simon, John; Geisz, John F.; Olavarria, Waldo; Young, Michelle; Duda, Anna; Friedman, Daniel J.; Steiner, Myles A.

    2016-03-29

    AlGaInP solar cells with bandgaps between 1.9 and 2.2 eV are investigated for use in next-generation multijunction photovoltaic devices. This quaternary alloy is of great importance to the development of III-V solar cells with five or more junctions and for cells optimized for operation at elevated temperatures because of the high bandgaps required in these designs. In this work, we explore the conditions for the organometallic vapor-phase epitaxy growth of AlGaInP and study their effects on cell performance. Initial efforts focused on developing ~2.0-eV AlGaInP solar cells with a nominal aluminum composition of 12%. Under the direct spectrum at 1000more » W/m2 (AM1.5D), the best of these samples had an open-circuit voltage of 1.59 V, a bandgap-voltage offset of 440 mV, a fill factor of 88.0%, and an efficiency of 14.8%. We then varied the aluminum composition of the alloy from 0% to 24% and were able to tune the bandgap of the AlGaInP layers from ~1.9 to ~2.2 eV. Furthermore, while the samples with a higher aluminum composition exhibited a reduced quantum efficiency and increased bandgap-voltage offset, the bandgap-voltage offset remained at 500 mV or less, up to a bandgap of ~2.1 eV.« less

  13. The mechanisms for nanoparticle surface diffusion and chain self-assembly determined from real-time nanoscale kinetics in liquid

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Woehl, Taylor J.; Prozorov, Tanya

    2015-08-20

    The mechanisms for nanoparticle self-assembly are often inferred from the morphology of the final nanostructures in terms of attractive and repulsive interparticle interactions. Understanding how nanoparticle building blocks are pieced together during self-assembly is a key missing component needed to unlock new strategies and mechanistic understanding of this process. Here we use real-time nanoscale kinetics derived from liquid cell transmission electron microscopy investigation of nanoparticle self-assembly to show that nanoparticle mobility dictates the pathway for self-assembly and final nanostructure morphology. We describe a new method for modulating nanoparticle diffusion in a liquid cell, which we employ to systematically investigate themore » effect of mobility on self-assembly of nanoparticles. We interpret the observed diffusion in terms of electrostatically induced surface diffusion resulting from nanoparticle hopping on the liquid cell window surface. Slow-moving nanoparticles self-assemble predominantly into linear 1D chains by sequential attachment of nanoparticles to existing chains, while highly mobile nanoparticles self-assemble into chains and branched structures by chain–chain attachments. Self-assembly kinetics are consistent with a diffusion-driven mechanism; we attribute the change in self-assembly pathway to the increased self-assembly rate of highly mobile nanoparticles. Furthermore, these results indicate that nanoparticle mobility can dictate the self-assembly mechanism and final nanostructure morphology in a manner similar to interparticle interactions.« less

  14. The mechanisms for nanoparticle surface diffusion and chain self-assembly determined from real-time nanoscale kinetics in liquid

    SciTech Connect (OSTI)

    Woehl, Taylor J.; Prozorov, Tanya

    2015-08-20

    The mechanisms for nanoparticle self-assembly are often inferred from the morphology of the final nanostructures in terms of attractive and repulsive interparticle interactions. Understanding how nanoparticle building blocks are pieced together during self-assembly is a key missing component needed to unlock new strategies and mechanistic understanding of this process. Here we use real-time nanoscale kinetics derived from liquid cell transmission electron microscopy investigation of nanoparticle self-assembly to show that nanoparticle mobility dictates the pathway for self-assembly and final nanostructure morphology. We describe a new method for modulating nanoparticle diffusion in a liquid cell, which we employ to systematically investigate the effect of mobility on self-assembly of nanoparticles. We interpret the observed diffusion in terms of electrostatically induced surface diffusion resulting from nanoparticle hopping on the liquid cell window surface. Slow-moving nanoparticles self-assemble predominantly into linear 1D chains by sequential attachment of nanoparticles to existing chains, while highly mobile nanoparticles self-assemble into chains and branched structures by chain–chain attachments. Self-assembly kinetics are consistent with a diffusion-driven mechanism; we attribute the change in self-assembly pathway to the increased self-assembly rate of highly mobile nanoparticles. Furthermore, these results indicate that nanoparticle mobility can dictate the self-assembly mechanism and final nanostructure morphology in a manner similar to interparticle interactions.

  15. December 2015 Most Viewed Documents for Geosciences | OSTI, US...

    Office of Scientific and Technical Information (OSTI)

    (2004) 108 Gas-phase diffusion in porous media: Evaluation of an advective- dispersive ... Consultant (1995) 42 A review of porous media enhanced vapor-phase diffusion mechanisms, ...

  16. Prediction of anomalous diffusion and algebraic relaxations for long-range interacting systems, using classical statistical mechanics

    SciTech Connect (OSTI)

    Bouchet, Freddy; Dauxois, Thierry

    2005-10-01

    We explain the ubiquity and extremely slow evolution of non-Gaussian out-of-equilibrium distributions for the Hamiltonian mean-field model, by means of traditional kinetic theory. Deriving the Fokker-Planck equation for a test particle, one also unambiguously explains and predicts striking slow algebraic relaxation of the momenta autocorrelation, previously found in numerical simulations. Finally, angular anomalous diffusion are predicted for a large class of initial distributions. Nonextensive statistical mechanics is shown to be unnecessary for the interpretation of these phenomena.

  17. Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} luminescence whisker based on vapor-phase deposition: Facile synthesis, uniform morphology and enhanced luminescence properties

    SciTech Connect (OSTI)

    Xu, Jian; Hassan, Dhia A.; Zeng, Renjie; Peng, Dongliang

    2015-11-15

    Highlights: • For the first time, it is possible to obtain Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whisker. • The whiskers are smooth and uniform with L/D ratio over 50. • Durability and thermal stability of the whisker are enhanced. - Abstract: A high performance strontium silicate phosphor has been successfully synthesized though a facile vapor-phase deposition method. The product consists of single crystal whiskers which are smooth and uniform, and with a sectional equivalent diameter of around 5 μm; the aspect ratio is over 50 and no agglomeration can be observed. X-ray diffraction result confirmed that the crystal structure of the whisker was α’-Sr{sub 2}SiO{sub 4}. The exact chemical composition was Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} which was analyzed by energy dispersive spectrometer and inductively coupled plasma-mass spectrometer. The whisker shows broad green emission with peak at 523 nm ranging from 470 to 600 nm (excited at 370 nm). Compared with traditional Sr{sub 2}SiO{sub 4}:Eu phosphor, durability (at 85% humidity and 85 °C) and thermal stability of the whisker are obviously improved. Moreover, growth mechanism of the Sr{sub 1.98}Eu{sub 0.02}SiO{sub 4} whiskers is Vapor–Liquid–Solid. On a macro-scale, the product is still powder which makes it suitable for the current packaging process of WLEDs.

  18. Suppression of metastable-phase inclusion in N-polar (0001{sup }) InGaN/GaN multiple quantum wells grown by metalorganic vapor phase epitaxy

    SciTech Connect (OSTI)

    Shojiki, Kanako Iwabuchi, Takuya; Kuboya, Shigeyuki; Choi, Jung-Hun; Tanikawa, Tomoyuki; Hanada, Takashi; Katayama, Ryuji; Matsuoka, Takashi; Usami, Noritaka

    2015-06-01

    The metastable zincblende (ZB) phase in N-polar (0001{sup }) (?c-plane) InGaN/GaN multiple quantum wells (MQWs) grown by metalorganic vapor phase epitaxy is elucidated by the electron backscatter diffraction measurements. From the comparison between the ?c-plane and Ga-polar (0001) (+c-plane), the ?c-plane MQWs were found to be suffered from the severe ZB-phase inclusion, while ZB-inclusion is negligible in the +c-plane MQWs grown under the same growth conditions. The ZB-phase inclusion is a hurdle for fabricating the ?c-plane light-emitting diodes because the islands with a triangular shape appeared on a surface in the ZB-phase domains. To improve the purity of stable wurtzite (WZ)-phase, the optimum conditions were investigated. The ZB-phase is dramatically eliminated with decreasing the V/III ratio and increasing the growth temperature. To obtain much-higher-quality MQWs, the thinner InGaN wells and the hydrogen introduction during GaN barriers growth were tried. Consequently, MQWs with almost pure WZ phase and with atomically smooth surface have been demonstrated.

  19. An investigation on microstructure evolution and mechanical properties during liquid state diffusion bonding of Al2024 to Ti–6Al–4V

    SciTech Connect (OSTI)

    Samavatian, Majid; Halvaee, Ayoub; Amadeh, Ahmad Ali; Khodabandeh, Alireza

    2014-12-15

    Joining mechanism of Ti/Al dissimilar alloys was studied during liquid state diffusion bonding process using Cu/Sn/Cu interlayer at 510 °C under vacuum of 7.5 × 10{sup −5} Torr for various bonding times. The microstructure and compositional changes in the joint zone were analyzed by scanning electron microscopy equipped with energy dispersive spectroscopy and X-ray diffraction. Microhardness and shear strength tests were also applied to study the mechanical properties of the joints. It was found that with an increase in bonding time, the elements of interlayer diffused into the parent metals and formed various intermetallic compounds at the interface. Diffusion process led to the isothermal solidification and the bonding evolution in the joint zone. The results from mechanical tests showed that microhardness and shear strength values have a straight relation with bonding time so that the maximum shear strength of joint was obtained for a bond made with 60 min bonding time. - Highlights: • Liquid state diffusion bonding of Al2024 to Ti–6Al–4V was performed successfully. • Diffusion of the elements caused the formation of various intermetallics at the interface. • Microhardness and shear strength values have a straight relation with bonding time. • The maximum shear strength reached to 36 MPa in 60 min bonding time.

  20. The use of DRIFTS-MS and kinetic studies to determine the role of acetic acid in the palladium-catalyzed vapor-phase synthesis of vinyl acetate

    SciTech Connect (OSTI)

    Augustine, S.M.; Blitz, J.P. (Quantum Chemical Corp., Cincinnati, OH (United States))

    1993-07-01

    Supported palladium catalyzes the synthesis of vinyl acetate (VA) by oxyacetylation of ethylene. Alkali promoters increase activity and selectivity. The role of acetic acid (HOAc) in these processes is not well understood. Activation energy studies show that HOAc alters the catalyst site and lowers the reaction barrier to VA formation. After correction for this effect, the kinetics reveal that as a reagent HOAc is zero order. This is probably due to a strong adsorption of HOAc and Pd which forms the catalyst active phase. Detailed spectroscopic studies support this conclusion. The surface processes on a supported vinyl acetate catalyst were studied using a method which couples diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) with mass spectrometry (MS). The DRIFTS-MS technique combines the capability of selectively analyzing IR-active surface species with sensitive detection of transient reaction products. By comparing the catalyst with mixtures of palladium acetate powder physically dispersed in potassium chloride, it is determined that the active phase on the catalyst is a form of palladium acetate. Compound formation is consistent with the strong chemisorption of HOAc on Pd. Kinetic analysis of temperature-programmed reaction(TPRxn) data suggests that Pd metal or metal oxide adjacent to the active site is important in the reaction mechanism. 25 refs., 10 figs., 2 tabs.

  1. Efficient Reformulation of Solid Phase Diffusion in Electrochemical-Mechanical Coupled Models for Lithium-Ion Batteries: Effect of Intercalation Induced Stresses

    SciTech Connect (OSTI)

    De, S; Suthar, B; Rife, D; Sikha, G; Subramanian, VR

    2013-07-23

    Lithium-ion batteries are typically modeled using porous electrode theory coupled with various transport and reaction mechanisms with an appropriate discretization or approximation for the solid phase diffusion within the electrode particle. One of the major difficulties in simulating Li-ion battery models is the need for simulating solid-phase diffusion in the second radial dimension r within the particle. It increases the complexity of the model as well as the computation time/cost to a great extent. This is Particularly true for the inclusion of pressure induced diffusion inside particles experiencing volume change. A computationally efficient representation for solid-phase diffusion is discussed in this paper. The operating condition has a significant effect on the validity, accuracy, and efficiency of various approximations for the solid-phase transport governed by pressure induced diffusion. This paper introduces efficient methods for solid phase reformulation - (1) parabolic profile approach and (2) a mixed order finite difference method for approximating/representing solid-phase concentration variations within the active materials of porous electrodes for macroscopic models for lithium-ion batteries. (C) 2013 The Electrochemical Society. All rights reserved.

  2. Long Term Field Development of a Surfactant Modified Zeolite/Vapor Phase Bioreactor System for Treatment of Produced Waters for Power Generation

    SciTech Connect (OSTI)

    Lynn Katz; Kerry Kinney; Robert Bowman; Enid Sullivan; Soondong Kwon; Elaine Darby; Li-Jung Chen; Craig Altare

    2007-12-31

    The main goal of this research was to investigate the feasibility of using a combined physicochemical/biological treatment system to remove the organic constituents present in saline produced water. In order to meet this objective, a physical/chemical adsorption process was developed and two separate biological treatment techniques were investigated. Two previous research projects focused on the development of the surfactant modified zeolite adsorption process (DE-AC26-99BC15221) and development of a vapor phase biofilter (VPB) to treat the regeneration off-gas from the surfactant modified zeolite (SMZ) adsorption system (DE-FC26-02NT15461). In this research, the SMZ/VPB was modified to more effectively attenuate peak loads and to maintain stable biodegradation of the BTEX constituents from the produced water. Specifically, a load equalization system was incorporated into the regeneration flow stream. In addition, a membrane bioreactor (MBR) system was tested for its ability to simultaneously remove the aromatic hydrocarbon and carboxylate components from produced water. The specific objectives related to these efforts included the following: (1) Optimize the performance VPBs treating the transient loading expected during SMZ regeneration: (a) Evaluate the impact of biofilter operating parameters on process performance under stable operating conditions. (b) Investigate how transient loads affect biofilter performance, and identify an appropriate technology to improve biological treatment performance during the transient regeneration period of an SMZ adsorption system. (c) Examine the merits of a load equalization technology to attenuate peak VOC loads prior to a VPB system. (d) Evaluate the capability of an SMZ/VPB to remove BTEX from produced water in a field trial. (2) Investigate the feasibility of MBR treatment of produced water: (a) Evaluate the biodegradation of carboxylates and BTEX constituents from synthetic produced water in a laboratory-scale MBR. (b

  3. Unexpected bismuth concentration profiles in metal-organic vapor phase epitaxy-grown Ga(As{sub 1−x}Bi{sub x})/GaAs superlattices revealed by Z-contrast scanning transmission electron microscopy imaging

    SciTech Connect (OSTI)

    Wood, A. W.; Babcock, S. E.; Guan, Y.; Forghani, K.; Anand, A.; Kuech, T. F.

    2015-03-01

    A set of GaAs{sub 1−x}Bi{sub x}/GaAs multilayer quantum-well structures was deposited by metal-organic vapor phase epitaxy at 390 °C and 420 °C. The precursor fluxes were introduced with the intent of growing discrete and compositionally uniform GaAs{sub 1−x}Bi{sub x} well and GaAs barrier layers in the epitaxial films. High-resolution high-angle annular-dark-field (or “Z-contrast”) scanning transmission electron microscopy imaging revealed concentration profiles that were periodic in the growth direction, but far more complicated in shape than the intended square wave. The observed composition profiles could explain various reports of physical properties measurements that suggest compositional inhomogeneity in GaAs{sub 1−x}Bi{sub x} alloys as they currently are grown.

  4. Charge transport properties of p-CdTe/n-CdTe/n{sup +}-Si diode-type nuclear radiation detectors based on metalorganic vapor-phase epitaxy-grown epilayers

    SciTech Connect (OSTI)

    Niraula, M.; Yasuda, K.; Wajima, Y.; Yamashita, H.; Tsukamoto, Y.; Suzuki, Y.; Matsumoto, M.; Takai, N.; Tsukamoto, Y.; Agata, Y.

    2013-10-28

    Charge transport properties of p-CdTe/n-CdTe/n{sup +}-Si diode-type nuclear radiation detectors, fabricated by growing p-and n-type CdTe epilayers on (211) n{sup +}-Si substrates using metalorganic vapor-phase epitaxy (MOVPE), were studied by analyzing current-voltage characteristics measured at various temperatures. The diode fabricated shows good rectification properties, however, both forward and reverse biased currents deviate from their ideal behavior. The forward current exhibits typical feature of multi-step tunneling at lower biases; however, becomes space charge limited type when the bias is increased. On the other hand, the reverse current exhibits thermally activated tunneling-type current. It was found that trapping centers at the p-CdTe/n-CdTe junction, which were formed due to the growth induced defects, determine the currents of this diode, and hence limit the performance of the nuclear radiation detectors developed.

  5. Potential-induced degradation in solar cells: Electronic structure and diffusion mechanism of sodium in stacking faults of silicon

    SciTech Connect (OSTI)

    Ziebarth, Benedikt Gumbsch, Peter; Mrovec, Matous; Elssser, Christian

    2014-09-07

    Sodium decorated stacking faults (SFs) were recently identified as the primary cause of potential-induced degradation in silicon (Si) solar-cells due to local electrical short-circuiting of the p-n junctions. In the present study, we investigate these defects by first principles calculations based on density functional theory in order to elucidate their structural, thermodynamic, and electronic properties. Our calculations show that the presence of sodium (Na) atoms leads to a substantial elongation of the Si-Si bonds across the SF, and the coverage and continuity of the Na layer strongly affect the diffusion behavior of Na within the SF. An analysis of the electronic structure reveals that the presence of Na in the SF gives rise to partially occupied defect levels within the Si band gap that participate in electrical conduction along the SF.

  6. June 2015 Most Viewed Documents for Geosciences | OSTI, US Dept...

    Office of Scientific and Technical Information (OSTI)

    (2005) 64 Gas-phase diffusion in porous media: Evaluation of an advective- dispersive ... J.C. (1985) 29 A review of porous media enhanced vapor-phase diffusion mechanisms, ...

  7. Cosmology with matter diffusion

    SciTech Connect (OSTI)

    Calogero, Simone; Velten, Hermano E-mail: velten@cce.ufes.br

    2013-11-01

    We construct a viable cosmological model based on velocity diffusion of matter particles. In order to ensure the conservation of the total energy-momentum tensor in the presence of diffusion, we include a cosmological scalar field ? which we identify with the dark energy component of the universe. The model is characterized by only one new degree of freedom, the diffusion parameter ?. The standard ?CDM model can be recovered by setting ? = 0. If diffusion takes place (? > 0) the dynamics of the matter and of the dark energy fields are coupled. We argue that the existence of a diffusion mechanism in the universe may serve as a theoretical motivation for interacting models. We constrain the background dynamics of the diffusion model with Supernovae, H(z) and BAO data. We also perform a perturbative analysis of this model in order to understand structure formation in the universe. We calculate the impact of diffusion both on the CMB spectrum, with particular attention to the integrated Sachs-Wolfe signal, and on the matter power spectrum P(k). The latter analysis places strong constraints on the magnitude of the diffusion mechanism but does not rule out the model.

  8. Hierarchical diffusion

    SciTech Connect (OSTI)

    Bachas, C.P.

    1988-02-01

    We review the solution and properties of the diffusion equation in a hierarchical or ultrametric space. 11 refs.

  9. Diffusion in silicon isotope heterostructures

    SciTech Connect (OSTI)

    Silvestri, Hughes Howland

    2004-05-14

    The simultaneous diffusion of Si and the dopants B, P, and As has been studied by the use of a multilayer structure of isotopically enriched Si. This structure, consisting of 5 pairs of 120 nm thick natural Si and {sup 28}Si enriched layers, enables the observation of {sup 30}Si self-diffusion from the natural layers into the {sup 28}Si enriched layers, as well as dopant diffusion from an implanted source in an amorphous Si cap layer, via Secondary Ion Mass Spectrometry (SIMS). The dopant diffusion created regions of the multilayer structure that were extrinsic at the diffusion temperatures. In these regions, the Fermi level shift due to the extrinsic condition altered the concentration and charge state of the native defects involved in the diffusion process, which affected the dopant and self-diffusion. The simultaneously recorded diffusion profiles enabled the modeling of the coupled dopant and self-diffusion. From the modeling of the simultaneous diffusion, the dopant diffusion mechanisms, the native defect charge states, and the self- and dopant diffusion coefficients can be determined. This information is necessary to enhance the physical modeling of dopant diffusion in Si. It is of particular interest to the modeling of future electronic Si devices, where the nanometer-scale features have created the need for precise physical models of atomic diffusion in Si. The modeling of the experimental profiles of simultaneous diffusion of B and Si under p-type extrinsic conditions revealed that both species are mediated by neutral and singly, positively charged Si self-interstitials. The diffusion of As and Si under extrinsic n-type conditions yielded a model consisting of the interstitialcy and vacancy mechanisms of diffusion via singly negatively charged self-interstitials and neutral vacancies. The simultaneous diffusion of P and Si has been modeled on the basis of neutral and singly negatively charged self-interstitials and neutral and singly positively charged P

  10. Diffusion bonding

    DOE Patents [OSTI]

    Anderson, Robert C.

    1976-06-22

    1. A method for joining beryllium to beryllium by diffusion bonding, comprising the steps of coating at least one surface portion of at least two beryllium pieces with nickel, positioning a coated surface portion in a contiguous relationship with an other surface portion, subjecting the contiguously disposed surface portions to an environment having an atmosphere at a pressure lower than ambient pressure, applying a force upon the beryllium pieces for causing the contiguous surface portions to abut against each other, heating the contiguous surface portions to a maximum temperature less than the melting temperature of the beryllium, substantially uniformly decreasing the applied force while increasing the temperature after attaining a temperature substantially above room temperature, and maintaining a portion of the applied force at a temperature corresponding to about maximum temperature for a duration sufficient to effect the diffusion bond between the contiguous surface portions.

  11. Study of minority carrier diffusion lengths in photoactive layers of multijunction solar cells

    SciTech Connect (OSTI)

    Mintairov, S. A. Andreev, V. M.; Emelyanov, V. M.; Kalyuzhnyy, N. A.; Timoshina, N. K.; Shvarts, M. Z.; Lantratov, V. M.

    2010-08-15

    A technique for determining a minority carrier's diffusion length in photoactive III-V layers of solar cells by approximating their spectral characteristics is presented. Single-junction GaAs, Ge and multi-junction GaAs/Ge, GaInP/GaAs, and GaInP/GaInAs/Ge solar cells fabricated by hydride metal-organic vapor-phase epitaxy (H-MOVPE) have been studied. The dependences of the minority carrier diffusion length on the doping level of p-Ge and n-GaAs are determined. It is shown that the parameters of solid-state diffusion of phosphorus atoms to the p-Ge substrate from the n-GaInP nucleation layer are independent of the thickness of the latter within 35-300 nm. It is found that the diffusion length of subcells of multijunction structures in Ga(In)As layers is smaller in comparison with that of single-junction structures.

  12. Parallel flow diffusion battery

    DOE Patents [OSTI]

    Yeh, H.C.; Cheng, Y.S.

    1984-01-01

    A parallel flow diffusion battery for determining the mass distribution of an aerosol has a plurality of diffusion cells mounted in parallel to an aerosol stream, each diffusion cell including a stack of mesh wire screens of different density.

  13. Parallel flow diffusion battery

    DOE Patents [OSTI]

    Yeh, Hsu-Chi; Cheng, Yung-Sung

    1984-08-07

    A parallel flow diffusion battery for determining the mass distribution of an aerosol has a plurality of diffusion cells mounted in parallel to an aerosol stream, each diffusion cell including a stack of mesh wire screens of different density.

  14. Microfabricated diffusion source

    DOE Patents [OSTI]

    Oborny, Michael C.; Frye-Mason, Gregory C.; Manginell, Ronald P.

    2008-07-15

    A microfabricated diffusion source to provide for a controlled diffusion rate of a vapor comprises a porous reservoir formed in a substrate that can be filled with a liquid, a headspace cavity for evaporation of the vapor therein, a diffusion channel to provide a controlled diffusion of the vapor, and an outlet to release the vapor into a gas stream. The microfabricated diffusion source can provide a calibration standard for a microanalytical system. The microanalytical system with an integral diffusion source can be fabricated with microelectromechanical systems technologies.

  15. The role of polymer formation during vapor phase lubrication...

    Office of Scientific and Technical Information (OSTI)

    The lubrication of silicon surfaces with alcohol vapors has recently been demonstrated. ... The parent alcohol molecule pentanol, has molecular weight of 88amu, suggesting that ...

  16. Vapor phase ethanol carbonylation over Rh supported on zeolite...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Journal Name: Applied Catalysis. A, General; Journal Volume: 520; Journal Issue: 06, 2016 Publisher: Elsevier Research Org: Advanced Photon Source (APS), Argonne ...

  17. Propane-induced biodegradation of vapor phase trichloroethylene...

    Office of Scientific and Technical Information (OSTI)

    John Carollo Engineers, College Station, TX (United States) Texas A and M Univ., College Station, TX (United States). Dept. of Civil Engineering Publication Date: 1995-05-20 OSTI ...

  18. Analytical solutions to matrix diffusion problems

    SciTech Connect (OSTI)

    Keklinen, Pekka

    2014-10-06

    We report an analytical method to solve in a few cases of practical interest the equations which have traditionally been proposed for the matrix diffusion problem. In matrix diffusion, elements dissolved in ground water can penetrate the porous rock surronuding the advective flow paths. In the context of radioactive waste repositories this phenomenon provides a mechanism by which the area of rock surface in contact with advecting elements is greatly enhanced, and can thus be an important delay mechanism. The cases solved are relevant for laboratory as well for in situ experiments. Solutions are given as integral representations well suited for easy numerical solution.

  19. Diffusion of n-type dopants in germanium

    SciTech Connect (OSTI)

    Chroneos, A.; Bracht, H.

    2014-03-15

    Germanium is being actively considered by the semiconductor community as a mainstream material for nanoelectronic applications. Germanium has advantageous materials properties; however, its dopant-defect interactions are less understood as compared to the mainstream material, silicon. The understanding of self- and dopant diffusion is essential to form well defined doped regions. Although p-type dopants such as boron exhibit limited diffusion, n-type dopants such as phosphorous, arsenic, and antimony diffuse quickly via vacancy-mediated diffusion mechanisms. In the present review, we mainly focus on the impact of intrinsic defects on the diffusion mechanisms of donor atoms and point defect engineering strategies to restrain donor atom diffusion and to enhance their electrical activation.

  20. Nodal Diffusion & Transport Theory

    Energy Science and Technology Software Center (OSTI)

    1992-02-19

    DIF3D solves multigroup diffusion theory eigenvalue, adjoint, fixed source, and criticality (concentration, buckling, and dimension search) problems in 1, 2, and 3-space dimensions for orthogonal (rectangular or cylindrical), triangular, and hexagonal geometries. Anisotropic diffusion theory coefficients are permitted. Flux and power density maps by mesh cell and regionwise balance integrals are provided. Although primarily designed for fast reactor problems, upscattering and internal black boundary conditions are also treated.

  1. FLAMMABLE GAS DIFFUSION THROUGH SINGLE SHELL TANK (SST) DOMES

    SciTech Connect (OSTI)

    MEACHAM, J.E.

    2003-11-10

    This report quantified potential hydrogen diffusion through Hanford Site Single-Shell tank (SST) domes if the SSTs were hypothetically sealed airtight. Results showed that diffusion would keep headspace flammable gas concentrations below the lower flammability limit in the 241-AX and 241-SX SST. The purpose of this document is to quantify the amount of hydrogen that could diffuse through the domes of the SSTs if they were hypothetically sealed airtight. Diffusion is assumed to be the only mechanism available to reduce flammable gas concentrations. The scope of this report is limited to the 149 SSTs.

  2. Apparatus for diffusion separation

    DOE Patents [OSTI]

    Nierenberg, William A.; Pontius, Rex B.

    1976-08-10

    1. The method of testing the separation efficiency of porous permeable membranes which comprises causing a stream of a gaseous mixture to flow into contact with one face of a finely porous permeable membrane under such conditions that a major fraction of the mixture diffuses through the membrane, maintaining a rectangular cross section of the gaseous stream so flowing past said membrane, continuously recirculating the gas that diffuses through said membrane and continuously withdrawing the gas that does not diffuse through said membrane and maintaining the volume of said recirculating gas constant by continuously introducing into said continuously recirculating gas stream a mass of gas equivalent to that which is continuously withdrawn from said gas stream and comparing the concentrations of the light component in the entering gas, the withdrawn gas and the recirculated gas in order to determine the efficiency of said membrane.

  3. Diffusion Bonding Characterization

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diffusion Bonding Characterization - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs

  4. Laser activated diffuse discharge switch (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Laser activated diffuse discharge switch Title: Laser activated diffuse discharge switch The invention is a gas mixture for a diffuse discharge switch which is capable of changing ...

  5. Apparatus for diffusion separation

    DOE Patents [OSTI]

    Nierenberg, William A.

    1976-08-10

    1. A diffuser separator apparatus which comprises a plurality of flow channels in a single stage, each of said channels having an inlet port and an outlet port and a constant cross sectional area between said ports, at least a portion of the defining surface of each of said channels being a diffusion separation membrane, and each of said channels having a different cross sectional area, means for connecting said channels in series so that each successive channel of said series has a smaller cross sectional area than the previous channel of said series, a source of gaseous mixture, individual means for flowing said gaseous mixture to the inlet port of each of said channels, gas receiving and analyzing means, individual means for flowing gas passing from each of said outlet ports and means for flowing gas passing through said membranes to said receiving and analyzing means, and individual means for connecting the outlet port of each channel with the inlet port of the channel having the next smaller cross sectional area.

  6. Light diffusing fiber optic chamber (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: light; diffusing; fiber; optic; chamber; light; diffusion; transmitting; light; target; light; transmitted; ...

  7. Diffusion on (110) Surface of Molecular Crystal Pentaerythritol Tetranitrate

    SciTech Connect (OSTI)

    Wang, J; Golfinopoulos, T; Gee, R H; Huang, H

    2007-01-25

    Using classical molecular dynamics simulations, we investigate the diffusion mechanisms of admolecules on the (110) surface of molecular crystal pentaerythritol tetranitrate. Our results show that (1) admolecules are stable at off lattice sites, (2) admolecules diffuse along close-packed [1{bar 1}1] and [{bar 1}11] directions, and (3) admolecules detach from the surface at 350K and above. Based on the number of diffusion jumps as a function of temperature, we estimate the jump frequency to be v=1.14 x 10{sup 12} e{sup -0.08eV/kT} per second.

  8. Light diffusing fiber optic chamber

    DOE Patents [OSTI]

    Maitland, Duncan J.

    2002-01-01

    A light diffusion system for transmitting light to a target area. The light is transmitted in a direction from a proximal end to a distal end by an optical fiber. A diffusing chamber is operatively connected to the optical fiber for transmitting the light from the proximal end to the distal end and transmitting said light to said target area. A plug is operatively connected to the diffusing chamber for increasing the light that is transmitted to the target area.

  9. State protection under collective damping and diffusion

    SciTech Connect (OSTI)

    Ponte, M. A. de [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 369, 13560-590 Sao Carlos, SP (Brazil); Departamento de Fisica, Universidade Regional do Cariri, 63010-970 Juazeiro do Norte, CE (Brazil); Mizrahi, S. S. [Departamento de Fisica, Universidade Federal de Sao Carlos, 13565-905 Sao Carlos, SP (Brazil); Moussa, M. H. Y. [Instituto de Fisica de Sao Carlos, Universidade de Sao Paulo, Caixa Postal 369, 13560-590 Sao Carlos, SP (Brazil)

    2011-07-15

    In this paper we provide a recipe for state protection in a network of oscillators under collective damping and diffusion. Our strategy is to manipulate the network topology, i.e., the way the oscillators are coupled together, the strength of their couplings, and their natural frequencies, in order to create a relaxation-diffusion-free channel. This protected channel defines a decoherence-free subspace (DFS) for nonzero-temperature reservoirs. Our development also furnishes an alternative approach to build up DFSs that offers two advantages over the conventional method: it enables the derivation of all the network-protected states at once, and also reveals, through the network normal modes, the mechanism behind the emergence of these protected domains.

  10. Fractional diffusion on bounded domains

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Defterli, Ozlem; D'Elia, Marta; Du, Qiang; Gunzburger, Max Donald; Lehoucq, Richard B.; Meerschaert, Mark M.

    2015-03-13

    We found that the mathematically correct specification of a fractional differential equation on a bounded domain requires specification of appropriate boundary conditions, or their fractional analogue. In this paper we discuss the application of nonlocal diffusion theory to specify well-posed fractional diffusion equations on bounded domains.

  11. Enthalpy Diffusion in Multicomponent Flows

    SciTech Connect (OSTI)

    Cook, A W

    2008-11-12

    The enthalpy diffusion flux in the multicomponent energy equation is a well known yet frequently neglected term. It accounts for energy changes, associated with compositional changes, resulting from species diffusion. Enthalpy diffusion is important in flows where significant mixing occurs between species of dissimilar molecular weight. The term plays a critical role in preventing local violations of the entropy condition. In simulations of nonpremixed combustion, omission of the enthalpy flux can lead to anomalous temperature gradients, which may cause mixing regions to exceed ignition conditions. The term can also play a role in generating acoustic noise in turbulent mixing layers. Euler solvers that rely on numerical diffusion to mix fluids cannot accurately predict the temperature in mixed regions. On the other hand, Navier-Stokes solvers that incorporate enthalpy diffusion can provide much more accurate results.

  12. Portable vapor diffusion coefficient meter

    DOE Patents [OSTI]

    Ho, Clifford K.

    2007-06-12

    An apparatus for measuring the effective vapor diffusion coefficient of a test vapor diffusing through a sample of porous media contained within a test chamber. A chemical sensor measures the time-varying concentration of vapor that has diffused a known distance through the porous media. A data processor contained within the apparatus compares the measured sensor data with analytical predictions of the response curve based on the transient diffusion equation using Fick's Law, iterating on the choice of an effective vapor diffusion coefficient until the difference between the predicted and measured curves is minimized. Optionally, a purge fluid can forced through the porous media, permitting the apparatus to also measure a gas-phase permeability. The apparatus can be made lightweight, self-powered, and portable for use in the field.

  13. Portsmouth Gaseous Diffusion Plant | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Portsmouth Gaseous Diffusion Plant Portsmouth Gaseous Diffusion Plant Portsmouth Gaseous Diffusion Plant | November 2009 Aerial View Portsmouth Gaseous Diffusion Plant | November 2009 Aerial View The current mission at the Portsmouth Gaseous Diffusion Plant is to effectively implement EM responsibilities, obligations and activities to accomplish environmental remediation actions in compliance with regulatory milestones and agreements; disposition legacy and newly generated waste; implement Cold

  14. Multiple station thermal diffusivity instrument

    SciTech Connect (OSTI)

    Wang, H.; Dinwiddie, R.B.; Gaal, P.S.

    1995-12-31

    A multiple furnace laser flash thermal diffusivity system has been developed. The system is equipped with a movable Nd:Glass laser unit, two IR detectors and furnaces for precise measurements of thermal diffusivity over the temperature range from {minus}150{degree}C to 2500{degree}C. All furnaces can operate in vacuum and inert gas; the environmental effects furnace also supports oxidizing and reducing environments. To increase testing speed the graphite and aluminum furnaces are both equipped with six-sample carousels. Thermal diffusivity measurements of three standard reference materials show excellent results over the entire temperature range.

  15. Theory of Neutron Chain Reactions: Extracts from Volume I, Diffusion and Slowing Down of Neutrons: Chapter I. Elementary Theory of Neutron Diffusion. Chapter II. Second Order Diffusion Theory. Chapter III. Slowing Down of Neutrons

    DOE R&D Accomplishments [OSTI]

    Weinberg, Alvin M.; Noderer, L. C.

    1951-05-15

    The large scale release of nuclear energy in a uranium fission chain reaction involves two essentially distinct physical phenomena. On the one hand there are the individual nuclear processes such as fission, neutron capture, and neutron scattering. These are essentially quantum mechanical in character, and their theory is non-classical. On the other hand, there is the process of diffusion -- in particular, diffusion of neutrons, which is of fundamental importance in a nuclear chain reaction. This process is classical; insofar as the theory of the nuclear chain reaction depends on the theory of neutron diffusion, the mathematical study of chain reactions is an application of classical, not quantum mechanical, techniques.

  16. Improved diffuser for augmenting a wind turbine

    DOE Patents [OSTI]

    Foreman, K.M.; Gilbert, B.L.

    A diffuser for augmenting a wind turbine having means for energizing the boundary layer at several locations along the diffuser walls is improved by the addition of a short collar extending radially outward from the outlet of the diffuser.

  17. Diffuser for augmenting a wind turbine

    DOE Patents [OSTI]

    Foreman, Kenneth M.; Gilbert, Barry L.

    1984-01-01

    A diffuser for augmenting a wind turbine having means for energizing the boundary layer at several locations along the diffuser walls is improved by the addition of a short collar extending radially outward from the outlet of the diffuser.

  18. Impact of implanted phosphorus on the diffusivity of boron and its applicability to silicon solar cells

    SciTech Connect (OSTI)

    Schrof, Julian Müller, Ralph; Benick, Jan; Hermle, Martin; Reedy, Robert C.

    2015-07-28

    Boron diffusivity reduction in extrinsically doped silicon was investigated in the context of a process combination consisting of BBr{sub 3} furnace diffusion and preceding Phosphorus ion implantation. The implantation of Phosphorus leads to a substantial blocking of Boron during the subsequent Boron diffusion. First, the influences of ion implantation induced point defects as well as the initial P doping on B diffusivity were studied independently. Here, it was found that not the defects created during ion implantation but the P doping itself results in the observed B diffusion retardation. The influence of the initial P concentration was investigated in more detail by varying the P implantation dose. A secondary ion mass spectrometry (SIMS) analysis of the BSG layer after the B diffusion revealed that the B diffusion retardation is not due to potential P content in the BSG layer but rather caused by the n-type doping of the crystalline silicon itself. Based on the observations the B diffusion retardation was classified into three groups: (i) no reduction of B diffusivity, (ii) reduced B diffusivity, and (iii) blocking of the B diffusion. The retardation of B diffusion can well be explained by the phosphorus doping level resulting in a Fermi level shift and pairing of B and P ions, both reducing the B diffusivity. Besides these main influences, there are probably additional transient phenomena responsible for the blocking of boron. Those might be an interstitial transport mechanism caused by P diffusion that reduces interstitial concentration at the surface or the silicon/BSG interface shift due to oxidation during the BBr{sub 3} diffusion process. Lifetime measurements revealed that the residual (non-blocked) B leads to an increased dark saturation current density in the P doped region. Nevertheless, electrical quality is on a high level and was further increased by reducing the B dose as well as by removing the first few nanometers of the silicon surface after

  19. Boron diffusion in silicon devices

    DOE Patents [OSTI]

    Rohatgi, Ajeet; Kim, Dong Seop; Nakayashiki, Kenta; Rounsaville, Brian

    2010-09-07

    Disclosed are various embodiments that include a process, an arrangement, and an apparatus for boron diffusion in a wafer. In one representative embodiment, a process is provided in which a boric oxide solution is applied to a surface of the wafer. Thereafter, the wafer is subjected to a fast heat ramp-up associated with a first heating cycle that results in a release of an amount of boron for diffusion into the wafer.

  20. School science project 'demystifies' Portsmouth Gaseous Diffusion...

    Energy Savers [EERE]

    School science project 'demystifies' Portsmouth Gaseous Diffusion Plant Site School science project 'demystifies' Portsmouth Gaseous Diffusion Plant Site June 2, 2015 - 10:40am ...

  1. Independent Activity Report, Portsmouth Gaseous Diffusion Plant...

    Office of Environmental Management (EM)

    Portsmouth Gaseous Diffusion Plant - August 2011 Independent Activity Report, Portsmouth Gaseous Diffusion Plant - August 2011 August 2011 Orientation Visit to the Portsmouth ...

  2. Enforcement Letter, Geiger Brothers Mechanical Contractors, INC- March 26, 2010

    Broader source: Energy.gov [DOE]

    Issued to Geiger Brothers Mechanical Contractors, Inc. related to Installation and Inspection of Penetration Fire Seals at the DUF6 Conversion Building at the Portsmouth Gaseous Diffusion Plant

  3. A fractional Fokker-Planck model for anomalous diffusion

    SciTech Connect (OSTI)

    Anderson, Johan; Kim, Eun-jin; Moradi, Sara

    2014-12-15

    In this paper, we present a study of anomalous diffusion using a Fokker-Planck description with fractional velocity derivatives. The distribution functions are found using numerical means for varying degree of fractionality of the stable Lévy distribution. The statistical properties of the distribution functions are assessed by a generalized normalized expectation measure and entropy in terms of Tsallis statistical mechanics. We find that the ratio of the generalized entropy and expectation is increasing with decreasing fractionality towards the well known so-called sub-diffusive domain, indicating a self-organising behavior.

  4. Diffusive mixing and Tsallis entropy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    O'Malley, Daniel; Vesselinov, Velimir V.; Cushman, John H.

    2015-04-29

    Brownian motion, the classical diffusive process, maximizes the Boltzmann-Gibbs entropy. The Tsallis q-entropy, which is non-additive, was developed as an alternative to the classical entropy for systems which are non-ergodic. A generalization of Brownian motion is provided that maximizes the Tsallis entropy rather than the Boltzmann-Gibbs entropy. This process is driven by a Brownian measure with a random diffusion coefficient. In addition, the distribution of this coefficient is derived as a function of q for 1 < q < 3. Applications to transport in porous media are considered.

  5. Diffusion In Confinement: Kinetic Simulations of Self- andCollective...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diffusion In Confinement: Kinetic Simulations of Self- and Collective-Diffusion Behavior of Adsorbed Gases...

  6. Commercial Building Partnerships Replication and Diffusion

    SciTech Connect (OSTI)

    Antonopoulos, Chrissi A.; Dillon, Heather E.; Baechler, Michael C.

    2013-09-16

    This study presents findings from survey and interview data investigating replication efforts of Commercial Building Partnership (CBP) partners that worked directly with the Pacific Northwest National Laboratory (PNNL). PNNL partnered directly with 12 organizations on new and retrofit construction projects, which represented approximately 28 percent of the entire U.S. Department of Energy (DOE) CBP program. Through a feedback survey mechanism, along with personal interviews, PNNL gathered quantitative and qualitative data relating to replication efforts by each organization. These data were analyzed to provide insight into two primary research areas: 1) CBP partners’ replication efforts of technologies and approaches used in the CBP project to the rest of the organization’s building portfolio (including replication verification), and, 2) the market potential for technology diffusion into the total U.S. commercial building stock, as a direct result of the CBP program. The first area of this research focused specifically on replication efforts underway or planned by each CBP program participant. Factors that impact replication include motivation, organizational structure and objectives firms have for implementation of energy efficient technologies. Comparing these factors between different CBP partners revealed patterns in motivation for constructing energy efficient buildings, along with better insight into market trends for green building practices. The second area of this research develops a diffusion of innovations model to analyze potential broad market impacts of the CBP program on the commercial building industry in the United States.

  7. Diffusion anisotropy of poor metal solute atoms in hcp-Ti

    SciTech Connect (OSTI)

    Scotti, Lucia Mottura, Alessandro

    2015-05-28

    Atom migration mechanisms influence a wide range of phenomena: solidification kinetics, phase equilibria, oxidation kinetics, precipitation of phases, and high-temperature deformation. In particular, solute diffusion mechanisms in α-Ti alloys can help explain their excellent high-temperature behaviour. The purpose of this work is to study self- and solute diffusion in hexagonal close-packed (hcp)-Ti, and its anisotropy, from first-principles using the 8-frequency model. The calculated diffusion coefficients show that diffusion energy barriers depend more on bonding characteristics of the solute rather than the size misfit with the host, while the extreme diffusion anisotropy of some solute elements in hcp-Ti is a result of the bond angle distortion.

  8. Integral approximations to classical diffusion and smoothed particle hydrodynamics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Du, Qiang; Lehoucq, R. B.; Tartakovsky, A. M.

    2014-12-31

    The contribution of the paper is the approximation of a classical diffusion operator by an integral equation with a volume constraint. A particular focus is on classical diffusion problems associated with Neumann boundary conditions. By exploiting this approximation, we can also approximate other quantities such as the flux out of a domain. Our analysis of the model equation on the continuum level is closely related to the recent work on nonlocal diffusion and peridynamic mechanics. In particular, we elucidate the role of a volumetric constraint as an approximation to a classical Neumann boundary condition in the presence of physical boundary.more » The volume-constrained integral equation then provides the basis for accurate and robust discretization methods. As a result, an immediate application is to the understanding and improvement of the Smoothed Particle Hydrodynamics (SPH) method.« less

  9. Molecular dynamics simulation of diffusion and electrical conductivity in montmorillonite interlayers

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Greathouse, Jeffery A.; Cygan, Randall T.; Fredrich, Joanne T.; Jerauld, Gary R.

    2016-01-20

    In this study, the diffusion of water and ions in the interlayer region of smectite clay minerals represents a direct probe of the type and strength of clay–fluid interactions. Interlayer diffusion also represents an important link between molecular simulation and macroscopic experiments. Here we use molecular dynamics simulation to investigate trends in cation and water diffusion in montmorillonite interlayers, looking specifically at the effects of layer charge, interlayer cation and cation charge (sodium or calcium), water content, and temperature. For Na-montmorillonite, the largest increase in ion and water diffusion coefficients occurs between the one-layer and two-layer hydrates, corresponding to themore » transition from inner-sphere to outer-sphere surface complexes. Calculated activation energies for ion and water diffusion in Na-montmorillonite are similar to each other and to the water hydrogen bond energy, suggesting the breaking of water–water and water–clay hydrogen bonds as a likely mechanism for interlayer diffusion. A comparison of interlayer diffusion with that of bulk electrolyte solutions reveals a clear trend of decreasing diffusion coefficient with increasing electrolyte concentration, and in most cases the interlayer diffusion results are nearly coincident with the corresponding bulk solutions. Trends in electrical conductivities computed from the ion diffusion coefficients are also compared.« less

  10. Self- and dopant diffusion in extrinsic boron doped isotopically controlled silicon multilayer structures

    SciTech Connect (OSTI)

    Sharp, Ian D.; Bracht, Hartmut A.; Silvestri, Hughes H.; Nicols, Samuel P.; Beeman, Jeffrey W.; Hansen, John L.; Nylandsted Larsen, Arne; Haller, Eugene E.

    2002-04-01

    Isotopically controlled silicon multilayer structures were used to measure the enhancement of self- and dopant diffusion in extrinsic boron doped silicon. {sup 30}Si was used as a tracer through a multilayer structure of alternating natural Si and enriched {sup 28}Si layers. Low energy, high resolution secondary ion mass spectrometry (SIMS) allowed for simultaneous measurement of self- and dopant diffusion profiles of samples annealed at temperatures between 850 C and 1100 C. A specially designed ion- implanted amorphous Si surface layer was used as a dopant source to suppress excess defects in the multilayer structure, thereby eliminating transient enhanced diffusion (TED) behavior. Self- and dopant diffusion coefficients, diffusion mechanisms, and native defect charge states were determined from computer-aided modeling, based on differential equations describing the diffusion processes. We present a quantitative description of B diffusion enhanced self-diffusion in silicon and conclude that the diffusion of both B and Si is mainly mediated by neutral and singly positively charged self-interstitials under p-type doping. No significant contribution of vacancies to either B or Si diffusion is observed.

  11. HOT HYDROGEN IN DIFFUSE CLOUDS

    SciTech Connect (OSTI)

    Cecchi-Pestellini, Cesare; Duley, Walt W.; Williams, David A. E-mail: wwduley@uwaterloo.ca

    2012-08-20

    Laboratory evidence suggests that recombination of adsorbed radicals may cause an abrupt temperature excursion of a dust grain to about 1000 K. One consequence of this is the rapid desorption of adsorbed H{sub 2} molecules with excitation temperatures of this magnitude. We compute the consequences of injection of hot H{sub 2} into cold diffuse interstellar gas at a rate of 1% of the canonical H{sub 2} formation rate. We find that the level populations of H{sub 2} in J = 3, 4, and 5 are close to observed values, and that the abundances of CH{sup +} and OH formed in reactions with hot hydrogen are close to the values obtained from observations of diffuse clouds.

  12. ARM: GRAMS: data from the total direct diffuse radiometer (TDDR...

    Office of Scientific and Technical Information (OSTI)

    direct diffuse radiometer (TDDR) Title: ARM: GRAMS: data from the total direct diffuse radiometer (TDDR) GRAMS: data from the total direct diffuse radiometer (TDDR) Authors: ...

  13. MODEL OF DIFFUSERS / PERMEATORS FOR HYDROGEN PROCESSING

    SciTech Connect (OSTI)

    Hang, T; William Jacobs, W

    2007-08-27

    Palladium-silver (Pd-Ag) diffusers are mainstays of hydrogen processing. Diffusers separate hydrogen from inert species such as nitrogen, argon or helium. The tubing becomes permeable to hydrogen when heated to more than 250 C and a differential pressure is created across the membrane. The hydrogen diffuses better at higher temperatures. Experimental or experiential results have been the basis for determining or predicting a diffuser's performance. However, the process can be mathematically modeled, and comparison to experimental or other operating data can be utilized to improve the fit of the model. A reliable model-based diffuser system design is the goal which will have impacts on tritium and hydrogen processing. A computer model has been developed to solve the differential equations for diffusion given the operating boundary conditions. The model was compared to operating data for a low pressure diffuser system. The modeling approach and the results are presented in this paper.

  14. Laser activated diffuse discharge switch

    DOE Patents [OSTI]

    Christophorou, Loucas G. (Oak Ridge, TN); Hunter, Scott R. (Oak Ridge, TN)

    1988-01-01

    The invention is a gas mixture for a diffuse discharge switch which is capable of changing from a conducting state to an insulating state in the presence of electrons upon the introduction of laser light. The mixture is composed of a buffer gas such as nitrogen or argon and an electron attaching gas such as C.sub.6 H.sub.5 SH, C.sub.6 H.sub.5 SCH.sub.3, CH.sub.3 CHO and CF.sub.3 CHO wherein the electron attachment is brought on by indirect excitation of molecules to long-lived states by exposure to laser light.

  15. Acid diffusion through polyaniline membranes

    SciTech Connect (OSTI)

    Su, T.M.; Huang, S.C.; Conklin, J.A.

    1995-12-01

    Polyaniline membranes in the undoped (base) and doped (acid) forms are studied for their utility as pervaporation membranes. The separation of water from mixtures of propionic acid, acetic acid and formic acid have been demonstrated from various feed compositions. Doped polyaniline displays an enhanced selectivity of water over these organic acids as compared with undoped polyaniline. For as-cast polyaniline membranes a diffusion coefficient (D) on the order of 10{sup -9} cm{sup 2}/sec has been determined for the flux of protons through the membranes using hydrochloric acid.

  16. Effects of multi-component diffusion and heat release on laminar diffusion flame liftoff

    SciTech Connect (OSTI)

    Li, Zhiliang; Chen, Ruey-Hung [Department of Mechanical, Materials and Aerospace Engineering, University of Central Florida, Orlando, FL 32816-2450 (United States); Phuoc, Tran X. [National Energy Technology Laboratory, Department of Energy, P.O. Box 10940, MS 84-340, Pittsburgh, PA 15261 (United States)

    2010-08-15

    Numerical simulations were conducted of the liftoff and stabilization phenomena of laminar jet diffusion flames of inert-diluted C{sub 3}H{sub 8} and CH{sub 4} fuels. Both non-reacting and reacting jets were investigated, including multi-component diffusivities and heat release effects (buoyancy and gas expansion). The role of Schmidt number for non-reacting jets was investigated, with no conclusive Schmidt number criterion for liftoff previously arrived at in similarity solutions. The cold-flow simulation for He-diluted CH{sub 4} fuel does not predict flame liftoff; however, adding heat release reaction lead to the prediction of liftoff, which is consistent with experimental observations. Including reaction was also found to improve liftoff height prediction for C{sub 3}H{sub 8} flames, with the flame base location differing from that in the similarity solution - the intersection of the stoichiometric and iso-velocity (equal to 1-D flame speed) is not necessary for flame stabilization (and thus liftoff). Possible mechanisms other than that proposed for similarity solution may better help to explain the stabilization and liftoff phenomena. (author)

  17. An asixymmetric diffusion experiment for the determination of diffusion and sorption coefficients of rock samples

    SciTech Connect (OSTI)

    Takeda, M.; Hiratsuka, T.; Ito, K.; Finsterle, S.

    2011-02-01

    Diffusion anisotropy is a critical property in predicting migration of substances in sedimentary formations with very low permeability. The diffusion anisotropy of sedimentary rocks has been evaluated mainly from laboratory diffusion experiments, in which the directional diffusivities are separately estimated by through-diffusion experiments using different rock samples, or concurrently by in-diffusion experiments in which only the tracer profile in a rock block is measured. To estimate the diffusion anisotropy from a single rock sample, this study proposes an axisymmetric diffusion test, in which tracer diffuses between a cylindrical rock sample and a surrounding solution reservoir. The tracer diffusion between the sample and reservoir can be monitored from the reservoir tracer concentrations, and the tracer profile could also be obtained after dismantling the sample. Semi-analytical solutions are derived for tracer concentrations in both the reservoir and sample, accounting for an anisotropic diffusion tensor of rank two as well as the dilution effects from sampling and replacement of reservoir solution. The transient and steady-state analyses were examined experimentally and numerically for different experimental configurations, but without the need for tracer profiling. These experimental configurations are tested for in- and out-diffusion experiments using Koetoi and Wakkanai mudstones and Shirahama sandstone, and are scrutinized by a numerical approach to identify favorable conditions for parameter estimation. The analysis reveals the difficulty in estimating diffusion anisotropy; test configurations are proposed for enhanced identifiability of diffusion anisotropy. Moreover, it is demonstrated that the axisymmetric diffusion test is efficient in obtaining the sorption parameter from both steady-state and transient data, and in determining the effective diffusion coefficient if isotropic diffusion is assumed. Moreover, measuring reservoir concentrations in an

  18. Configurational diffusion of asphaltenes in fresh and aged catalyst extrudates. Final technical report, September 20, 1991--September 30, 1996

    SciTech Connect (OSTI)

    Guin, J.A.

    1998-12-31

    The overall objective of this project was to investigate the diffusion of coal and petroleum asphaltenes in the pores of a supported catalyst. Experimental measurements together with mathematical modeling was conducted to determine how the diffusion rate of asphaltenes, as well as some model compounds, depended on molecule sizes and shapes. The process of diffusion in the pores of a porous medium may occur by several mechanisms. Hindered diffusion occurs when the sizes of the diffusion molecules are comparable to those of the porous pores through which they are diffusing. Hindered diffusion phenomena have been widely observed in catalytic hydrotreatment of asphaltenes, heavy oils, coal derived liquids, etc. Pore diffusion limitations can be greater in spent catalysts due to the deposition of coke and metals in the pores. In this work, a general mathematical model was developed for the hindered diffusion-adsorption of solute in a solvent onto porous materials, e. g. catalysts, from a surrounding bath. This diffusion model incorporated the nonuniformities of pore structures in the porous media. A numerical method called the Method of Lines was used to solve the nonlinear partial differential equations resulting from the mathematical model. The accuracy of the numerical solution was verified by both a mass balance in the diffusion system and satisfactory agreement with known solutions in several special cases.

  19. Vapor phase tri-methyl-indium seeding system suitable for high temperature spectroscopy and thermometry

    SciTech Connect (OSTI)

    Whiddon, R.; Zhou, B.; Borggren, J.; Aldén, M.; Li, Z. S.

    2015-09-15

    Tri-methyl-indium (TMI) is used as an indium transport molecule to introduce indium atoms to reactive hot gas flows/combustion environments for spectroscopic diagnostics. A seeding system was constructed to allow the addition of an inert TMI laden carrier gas into an air/fuel mixture burning consequently on a burner. The amount of the seeded TMI in the carrier gas can be readily varied by controlling the vapor pressure through the temperature of the container. The seeding process was calibrated using the fluorescent emission intensity from the indium 6{sup 2}S{sub 1/2} → 5{sup 2}P{sub 1/2} and 6{sup 2}S{sub 1/2} → 5{sup 2}P{sub 3/2} transitions as a function of the calculated TMI seeding concentration over a range of 2–45 ppm. The response was found to be linear over the range 3–22.5 ppm; at concentrations above 25 ppm there is a loss of linearity attributable to self-absorption or loss of saturation of TMI vapor pressure in the carrier gas flow. When TMI was introduced into a post-combustion environment via an inert carrier gas, molecular transition from InH and InOH radicals were observed in the flame emission spectrum. Combined laser-induced fluorescence and absorption spectroscopy were applied to detect indium atoms in the TMI seeded flame and the measured atomic indium concentration was found to be at the ppm level. This method of seeding organometallic vapor like TMI to a reactive gas flow demonstrates the feasibility for quantitative spectroscopic investigations that may be applicable in various fields, e.g., chemical vapor deposition applications or temperature measurement in flames with two-line atomic fluorescence.

  20. Liquid-phase and vapor-phase dehydration of organic/water solutions

    DOE Patents [OSTI]

    Huang, Yu; Ly, Jennifer; Aldajani, Tiem; Baker, Richard W.

    2011-08-23

    Processes for dehydrating an organic/water solution by pervaporation or vapor separation using fluorinated membranes. The processes are particularly useful for treating mixtures containing light organic components, such as ethanol, isopropanol or acetic acid.

  1. NOVEL PROCESS FOR REMOVAL AND RECOVERY OF VAPOR-PHASE MERCURY

    SciTech Connect (OSTI)

    Craig S. Turchi

    2000-09-29

    The goal of this project is to investigate the use of a regenerable sorbent for removing and recovering mercury from the flue gas of coal-fired power plants. The process is based on the sorption of mercury by noble metals and the thermal regeneration of the sorbent, recovering the desorbed mercury in a small volume for recycling or disposal. The project was carried out in two phases, covering five years. Phase I ran from September 1995 through September 1997 and involved development and testing of sorbent materials and field tests at a pilot coal-combustor. Phase II began in January 1998 and ended September 2000. Phase II culminated with pilot-scale testing at a coal-fired power plant. The use of regenerable sorbents holds the promise of capturing mercury in a small volume, suitable for either stable disposal or recycling. Unlike single-use injected sorbents such as activated carbon, there is no impact on the quality of the fly ash. During Phase II, tests were run with a 20-acfm pilot unit on coal-combustion flue gas at a 100 lb/hr pilot combustor and a utility boiler for four months and six months respectively. These studies, and subsequent laboratory comparisons, indicated that the sorbent capacity and life were detrimentally affected by the flue gas constituents. Sorbent capacity dropped by a factor of 20 to 35 during operations in flue gas versus air. Thus, a sorbent designed to last 24 hours between recycling lasted less than one hour. The effect resulted from an interaction between SO{sub 2} and either NO{sub 2} or HCl. When SO{sub 2} was combined with either of these two gases, total breakthrough was seen within one hour in flue gas. This behavior is similar to that reported by others with carbon adsorbents (Miller et al., 1998).

  2. Characterization of single-crystal diamond grown from the vapor phase on substrates of natural diamond

    SciTech Connect (OSTI)

    Altukhov, A. A.; Vikharev, A. L.; Gorbachev, A. M.; Dukhnovsky, M. P.; Zemlyakov, V. E.; Ziablyuk, K. N.; Mitenkin, A. V.; Muchnikov, A. B. Radishev, D. B.; Ratnikova, A. K.; Fedorov, Yu. Yu.

    2011-03-15

    The results of studies of single-crystal diamond layers with orientation (100) grown on substrates of IIa-type natural diamond by chemical-vapor deposition and of semiconductor diamond obtained subsequently by doping by implantation of boron ions are reported. Optimal conditions of postimplantation annealing of diamond that provide the hole mobility of 1150 cm{sup 2} V{sup -1} s{sup -1} (the highest mobility obtained so far for semiconductor diamond after ion implantation) are given.

  3. A NOVEL VAPOR-PHASE PROCESS FOR DEEP DESULFURIZATION OF NAPHTHA/DIESEL

    SciTech Connect (OSTI)

    B.S. Turk; R.P. Gupta; S.K. Gangwal

    2003-06-30

    Tier 2 regulations issued by the U.S. Environmental Protection Agency (EPA) require a substantial reduction in the sulfur content of gasoline. Similar regulations have been enacted for the sulfur level in on-road diesel and recently off-road diesel. The removal of this sulfur with existing and installed technology faces technical and economic challenges. These challenges created the opportunity for new emerging technologies. Research Triangle Institute (RTI) with subcontract support from Kellogg Brown & Root, Inc., (KBR) used this opportunity to develop RTI's transport reactor naphtha desulfurization (TReND) process. Starting with a simple conceptual process design and some laboratory results that showed promise, RTI initiated an accelerated research program for sorbent development, process development, and marketing and commercialization. Sorbent development has resulted in the identification of an active and attrition resistant sorbent that has been prepared in commercial equipment in 100 lb batches. Process development has demonstrated both the sulfur removal performance and regeneration potential of this sorbent. Process development has scaled up testing from small laboratory to pilot plant transport reactor testing. Testing in the transport reactor pilot plant has demonstrated the attrition resistance, selective sulfur removal activity, and regeneration activity of this sorbent material. Marketing and commercialization activities have shown with the existing information that the process has significant capital and operating cost benefits over existing and other emerging technologies. The market assessment and analysis provided valuable feedback about the testing and performance requirements for the technical development program. This market analysis also provided a list of potential candidates for hosting a demonstration unit. Although the narrow window of opportunity generated by the new sulfur regulations and the conservative nature of the refining industry slowed progress of the demonstration unit, negotiations with potential partners are proceeding for commercialization of this process.

  4. DOE Releases Request for Information for Paducah Gaseous Diffusion...

    Energy Savers [EERE]

    Information for Paducah Gaseous Diffusion Plant Deactivation & Remediation Services DOE Releases Request for Information for Paducah Gaseous Diffusion Plant Deactivation & ...

  5. Kinetic Structure of the Electron Diffusion Region in Antiparallel Magnetic Reconnection

    SciTech Connect (OSTI)

    Ng, J.; Egedal, J.; Le, A.; Daughton, W.; Chen, L.-J.

    2011-02-11

    Strong electron pressure anisotropy has been observed upstream of electron diffusion regions during reconnection in Earth's magnetotail and kinetic simulations. For collisionless antiparallel reconnection, we find that the anisotropy drives the electron current in the electron diffusion region, and that this current is insensitive to the reconnection electric field. Reconstruction of the electron distribution function within this region at enhanced resolutions reveals its highly structured nature and the mechanism by which the pressure anisotropy sets the structure of the region.

  6. Method for measurement of diffusivity: Calorimetric studies of Fe/Ni multilayer thin films

    SciTech Connect (OSTI)

    Liu, JX; Barmak, K

    2015-07-15

    A calorimetric method for the measurement of diffusivity in thin film multilayers is introduced and applied to the Fe Ni system. Using this method, the diffusivity in [Fe (25 nm)/Ni (25 nm)](20) multilayer thin films is measured as 4 x 10(-3)exp(-1.6 +/- 0.1 eV/ k(B)T) cm(2)/s, respectively. The diffusion mechanism in the multilayers and its relevance to laboratory synthesis of L1(0) ordered FeNi are discussed. (C) 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

  7. Ag Out-surface Diffusion In Crystalline SiC With An Effective SiO2 Diffusion Barrier

    SciTech Connect (OSTI)

    Xue, H.; Xiao, Haiyan Y.; Zhu, Zihua; Shutthanandan, V.; Snead, Lance L.; Boatner, Lynn A.; Weber, William J.; Zhang, Y.

    2015-09-01

    For applications of tristructural isotropic (TRISO) fuel particles in high temperature reactors, release of radioactive Ag isotope (110mAg) through the SiC coating layer is a safety concern. To understand the diffusion mechanism, Ag ion implantations near the surface and in the bulk were performed by utilizing different ion energies and energy-degrader foils. High temperature annealing was carried out on the as-irradiated samples to study the possible out-surface diffusion. Before and after annealing, Rutherford backscattering spectrometry (RBS) and secondary ion mass spectrometry (SIMS) measurements were employed to obtain the elemental profiles of the implanted samples. The results suggest little migration of buried Ag in the bulk, and an out-diffusion of the implanted Ag in the near-surface region of single crystal SiC. It is also found that a SiO2 layer, which was formed during annealing, may serve as an effective barrier to reduce or prevent Ag out diffusion through the SiC coating layer.

  8. Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

    SciTech Connect (OSTI)

    Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

    2015-07-28

    Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier's equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.

  9. Predicting X-ray diffuse scattering from translation–libration–screw structural ensembles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Van Benschoten, Andrew H.; Afonine, Pavel V.; Terwilliger, Thomas C.; Wall, Michael E.; Jackson, Colin J.; Sauter, Nicholas K.; Adams, Paul D.; Urzhumtsev, Alexandre; Fraser, James S.

    2015-07-28

    Identifying the intramolecular motions of proteins and nucleic acids is a major challenge in macromolecular X-ray crystallography. Because Bragg diffraction describes the average positional distribution of crystalline atoms with imperfect precision, the resulting electron density can be compatible with multiple models of motion. Diffuse X-ray scattering can reduce this degeneracy by reporting on correlated atomic displacements. Although recent technological advances are increasing the potential to accurately measure diffuse scattering, computational modeling and validation tools are still needed to quantify the agreement between experimental data and different parameterizations of crystalline disorder. A new tool, phenix.diffuse, addresses this need by employing Guinier'smore » equation to calculate diffuse scattering from Protein Data Bank (PDB)-formatted structural ensembles. As an example case, phenix.diffuse is applied to translation–libration–screw (TLS) refinement, which models rigid-body displacement for segments of the macromolecule. To enable the calculation of diffuse scattering from TLS-refined structures, phenix.tls_as_xyz builds multi-model PDB files that sample the underlying T, L and S tensors. In the glycerophosphodiesterase GpdQ, alternative TLS-group partitioning and different motional correlations between groups yield markedly dissimilar diffuse scattering maps with distinct implications for molecular mechanism and allostery. These methods demonstrate how, in principle, X-ray diffuse scattering could extend macromolecular structural refinement, validation and analysis.« less

  10. Role of diffusion in irreversible deposition

    SciTech Connect (OSTI)

    Luthi, P.O.; Ramsden, J.J.; Chopard, B.

    1997-03-01

    The adsorption of spheres onto solid surfaces is investigated using a cellular automaton model of diffusion deposition. Unlike previous models, the diffusive transport of the particles from the bulk to the surface as well as their interaction with adsorbed particles are explicitly considered at a microscopic level. We study the initial time regime, which determines the subsequent evolution and during which the particle flux at the surface is not constant. We observe that diffusion-driven adsorption differs significantly from random sequential adsorption (RSA) when particles diffuse in a two-dimensional bulk and are adsorbed on a one-dimensional substrate. We also find that the microscopic details of the diffusive motion influence both the kinetics of deposition and the jamming limit of the coverage. The RSA model appears to be a good approximation, especially for two-dimensional deposition, but cannot generally represent diffusion deposition. {copyright} {ital 1997} {ital The American Physical Society}

  11. Bulk and surface controlled diffusion of fission gas atoms

    SciTech Connect (OSTI)

    Andersson, Anders D.

    2012-08-09

    Fission gas retention and release impact nuclear fuel performance by, e.g., causing fuel swelling leading to mechanical interaction with the clad, increasing the plenum pressure and reducing the gap thermal conductivity. All of these processes are important to understand in order to optimize operating conditions of nuclear reactors and to simulate accident scenarios. Most fission gases have low solubility in the fuel matrix, which is especially pronounced for large fission gas atoms such as Xe and Kr, and as a result there is a significant driving force for segregation of gas atoms to extended defects such as grain boundaries or dislocations and subsequently for nucleation of gas bubbles at these sinks. Several empirical or semi-empirical models have been developed for fission gas release in nuclear fuels, e.g. [1-6]. One of the most commonly used models in fuel performance codes was published by Massih and Forsberg [3,4,6]. This model is similar to the early Booth model [1] in that it applies an equivalent sphere to separate bulk UO{sub 2} from grain boundaries represented by the sphere circumference. Compared to the Booth model, it also captures trapping at grain boundaries, fission gas resolution and it describes release from the boundary by applying timedependent boundary conditions to the circumference. In this work we focus on the step where fission gas atoms diffuse from the grain interior to the grain boundaries. The original Massih-Forsberg model describes this process by applying an effective diffusivity divided into three temperature regimes. In this report we present results from density functional theory calculations (DFT) that are relevant for the high (D{sub 3}) and intermediate (D{sub 2}) temperature diffusivities of fission gases. The results are validated by making a quantitative comparison to Turnbull's [8-10] and Matzke's data [12]. For the intrinsic or high temperature regime we report activation energies for both Xe and Kr diffusion in UO

  12. Experience with Palladium Diffusers in Tritium Processing

    SciTech Connect (OSTI)

    Motyka, T.; Clark, E.A.; Dauchess, D.A.; Heung, L.K.; Rabum, R.L.

    1995-01-27

    Hydrogen isotopes are separated from other gases by permeation through palladium and palladium-silver alloy diffusers in the Tritium Facilities at the US Department of Energy Savannah River Site (SRS). Diffusers have provided effective service for almost forty years. This paper is an overview of the operational experience with the various diffuser types that have been employed at SRS. Alternative technologies being developed at SRS for purifying hydrogen isotopes are also discussed.

  13. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant...

    Office of Environmental Management (EM)

    selected aspects of the work planning and control process being implemented by the Portsmouth Gaseous Diffusion Plant (PORTS) contractor, Fluor-Babcock & Wilcox Portsmouth (FBP). ...

  14. 2-D Multi-Group Diffusion Program

    Energy Science and Technology Software Center (OSTI)

    1992-07-21

    The multigroup, two-dimensional neutron diffusion equations are solved in x-y, r-z, or r-theta geometry.

  15. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant...

    Office of Environmental Management (EM)

    Plant - November 2013 Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - November 2013 November 5, 2013 Review of Preparedness for Severe Natural Phenomena Events ...

  16. Paducah Gaseous Diffusion Plant Final Environmental Assessment...

    Energy Savers [EERE]

    Point of contact for more information: Robert Smith, Department of Energy-Paducah Paducah Gaseous Diffusion Plant Final Environmental Assessment for Potential Land and Facilities ...

  17. Finite-difference schemes for anisotropic diffusion

    SciTech Connect (OSTI)

    Es, Bram van; Koren, Barry; Blank, Hugo J. de

    2014-09-01

    In fusion plasmas diffusion tensors are extremely anisotropic due to the high temperature and large magnetic field strength. This causes diffusion, heat conduction, and viscous momentum loss, to effectively be aligned with the magnetic field lines. This alignment leads to different values for the respective diffusive coefficients in the magnetic field direction and in the perpendicular direction, to the extent that heat diffusion coefficients can be up to 10{sup 12} times larger in the parallel direction than in the perpendicular direction. This anisotropy puts stringent requirements on the numerical methods used to approximate the MHD-equations since any misalignment of the grid may cause the perpendicular diffusion to be polluted by the numerical error in approximating the parallel diffusion. Currently the common approach is to apply magnetic field-aligned coordinates, an approach that automatically takes care of the directionality of the diffusive coefficients. This approach runs into problems at x-points and at points where there is magnetic re-connection, since this causes local non-alignment. It is therefore useful to consider numerical schemes that are tolerant to the misalignment of the grid with the magnetic field lines, both to improve existing methods and to help open the possibility of applying regular non-aligned grids. To investigate this, in this paper several discretization schemes are developed and applied to the anisotropic heat diffusion equation on a non-aligned grid.

  18. Diffusion and scattering in multifractal clouds

    SciTech Connect (OSTI)

    Lovejoy, S.; Schertzer, D.; Waston, B.

    1996-04-01

    This paper describes investigations of radiative properties of multifractal clouds using two different approaches. In the first, diffusion is considered by examining the scaling properties of one dimensional random walks on media with multifractal diffusivities. The second approach considers the scattering statistics associated with radiative transport.

  19. Solid-state diffusion in amorphous zirconolite

    SciTech Connect (OSTI)

    Yang, C.; Dove, M. T.; Trachenko, K.; Zarkadoula, E.; Todorov, I. T.; Geisler, T.; Brazhkin, V. V.

    2014-11-14

    We discuss how structural disorder and amorphization affect solid-state diffusion, and consider zirconolite as a currently important case study. By performing extensive molecular dynamics simulations, we disentangle the effects of amorphization and density, and show that a profound increase of solid-state diffusion takes place as a result of amorphization. Importantly, this can take place at the same density as in the crystal, representing an interesting general insight regarding solid-state diffusion. We find that decreasing the density in the amorphous system increases pre-factors of diffusion constants, but does not change the activation energy in the density range considered. We also find that atomic species in zirconolite are affected differently by amorphization and density change. Our microscopic insights are relevant for understanding how solid-state diffusion changes due to disorder and for building predictive models of operation of materials to be used to encapsulate nuclear waste.

  20. Boron diffusion in nanocrystalline 3C-SiC

    SciTech Connect (OSTI)

    Schnabel, Manuel; Weiss, Charlotte; Rachow, Thomas; Löper, Philipp; Janz, Stefan; Canino, Mariaconcetta; Summonte, Caterina; Mirabella, Salvo; Wilshaw, Peter R.

    2014-05-26

    The diffusion of boron in nanocrystalline silicon carbide (nc-SiC) films with a grain size of 4–7 nm is studied using a poly-Si boron source. Diffusion is found to be much faster than in monocrystalline SiC as it takes place within the grain boundary (GB) network. Drive-in temperatures of 900–1000°C are suitable for creating shallow boron profiles up to 100 nm deep, while 1100°C is sufficient to flood the 200 nm thick films with boron. From the resulting plateau at 1100 °C a boron segregation coefficient of 28 between nc-SiC and the Si substrate, as well as a GB boron solubility limit of 0.2 nm{sup −2} is determined. GB diffusion in the bulk of the films is Fickian and thermally activated with D{sub GB}(T)=(3.1−5.6)×10{sup 7}exp(−5.03±0.16  eV/k{sub B}T) cm{sup 2}s{sup −1}. The activation energy is interpreted in terms of a trapping mechanism at dangling bonds. Higher boron concentrations are present at the nc-SiC surface and are attributed to immobilized boron.

  1. SNOW LINES AS PROBES OF TURBULENT DIFFUSION IN PROTOPLANETARY DISKS

    SciTech Connect (OSTI)

    Owen, James E. [Canadian Institute for Theoretical Astrophysics, 60 St George Street, Toronto, M5S 3H8, ON (Canada)

    2014-07-20

    Sharp chemical discontinuities can occur in protoplanetary disks, particularly at ''snow lines'' where a gas-phase species freezes out to form ice grains. Such sharp discontinuities will diffuse out due to the turbulence suspected to drive angular momentum transport in accretion disks. We demonstrate that the concentration gradientin the vicinity of the snow lineof a species present outside a snow line but destroyed inside is strongly sensitive to the level of turbulent diffusion (provided the chemical and transport timescales are decoupled) and provides a direct measurement of the radial ''Schmidt number'' (the ratio of the angular momentum transport to radial turbulent diffusion). Taking as an example the tracer species N{sub 2}H{sup +}, which is expected to be destroyed inside the CO snow line (as recently observed in TW Hya) we show that ALMA observations possess significant angular resolution to constrain the Schmidt number. Since different turbulent driving mechanisms predict different Schmidt numbers, a direct measurement of the Schmidt number in accretion disks would allow inferences to be made about the nature of the turbulence.

  2. HINDERED DIFFUSION OF COAL LIQUIDS

    SciTech Connect (OSTI)

    Theodore T. Tsotsis; Muhammad Sahimi; Ian A. Webster

    1996-01-01

    It was the purpose of the project described here to carry out careful and detailed investigations of petroleum and coal asphaltene transport through model porous systems under a broad range of temperature conditions. The experimental studies were to be coupled with detailed, in-depth statistical and molecular dynamics models intended to provide a fundamental understanding of the overall transport mechanisms and a more accurate concept of the asphaltene structure. The following discussion describes some of our accomplishments.

  3. Diffusion and transport coefficients in synthetic opals

    SciTech Connect (OSTI)

    Sofo, J. O.; Mahan, G. D.; Department of Physics and Astronomy, The University of Tennessee, Knoxville, Tennessee 37996-1200

    2000-07-15

    Opals are structures composed of close-packed spheres in the size range of nano to micrometers. They are sintered to create small necks at the points of contact. We have solved the diffusion problem in such structures. The relation between the diffusion coefficient and the thermal and electrical conductivity is used to estimate the transport coefficients of opal structures as a function of the neck size and the mean free path of the carriers. The theory presented is also applicable to the diffusion problem in other periodic structures. (c) 2000 The American Physical Society.

  4. The AN neutron transport by nodal diffusion

    SciTech Connect (OSTI)

    Barbarino, A.; Tomatis, D.

    2013-07-01

    The two group diffusion model combined to a nodal approach in space is the preferred scheme for the industrial simulation of nuclear water reactors. The main selling point is the speed of computation, allowing a large number of parametric studies. Anyway, the drawbacks of the underlying diffusion equation may arise with highly heterogeneous interfaces, often encountered in modern UO{sub 2} and MO{sub x} fuel loading patterns, and boron less controlled systems. This paper aims at showing how the simplified AN transport model, equivalent to the well known SPN, can be implemented in standard diffusion codes with minor modifications. Some numerical results are illustrated. (authors)

  5. Progress Report for Diffusion Welding of the NGNP Process Application Heat Exchangers

    SciTech Connect (OSTI)

    R.E. Mizia; D.E. Clark; M.V. Glazoff; T.E. Lister; T.L. Trowbridge

    2011-12-01

    The U.S. Department of Energy selected the high temperature gas-cooled reactor as the basis for the Next Generation Nuclear Plant (NGNP). The NGNP will demonstrate the use of nuclear power for electricity, hydrogen production, and process heat applications. The NGNP Project is currently investigating the use of metallic, diffusion welded, compact heat exchangers to transfer heat from the primary (reactor side) heat transport system to the secondary heat transport system. An intermediate heat exchanger will transfer this heat to downstream applications such as hydrogen production, process heat, and electricity generation. The channeled plates that make up the heat transfer surfaces of the intermediate heat exchanger will have to be assembled into an array by diffusion welding. This report describes the preliminary results of a scoping study that evaluated the diffusion welding process parameters and the resultant mechanical properties of diffusion welded joints using Alloy 800H. The long-term goal of the program is to progress towards demonstration of small heat exchanger unit cells fabricated with diffusion welds. Demonstration through mechanical testing of the unit cells will support American Society of Mechanical Engineers rules and standards development, reduce technical risk, and provide proof of concept for heat exchanger fabrication methods needed to deploy heat exchangers in several potential NGNP configurations.1 Researchers also evaluated the usefulness of modern thermodynamic and diffusion computational tools (Thermo-Calc and Dictra) in optimizing the parameters for diffusion welding of Alloy 800H. The modeling efforts suggested a temperature of 1150 C for 1 hour with an applied pressure of 5 MPa using 15 {micro}m nickel foil as joint filler to reduce chromium oxidation on the welded surfaces. Good agreement between modeled and experimentally determined concentration gradients was achieved

  6. Ternary gas mixture for diffuse discharge switch (Patent) | DOEPatents

    Office of Scientific and Technical Information (OSTI)

    Ternary gas mixture for diffuse discharge switch Title: Ternary gas mixture for diffuse discharge switch A new diffuse discharge gas switch wherein a mixture of gases is used to ...

  7. Manhattan Project: The Navy and Thermal Diffusion, 1944

    Office of Scientific and Technical Information (OSTI)

    Diffusion columns, S-50 Thermal Diffusion Plant, Oak Ridge, 1945. THE NAVY AND THERMAL ... itself for a new influx of workers sent to build the S-50 Thermal Diffusion Plant (right). ...

  8. Review of enhanced vapor diffusion in porous media

    SciTech Connect (OSTI)

    Webb, S.W.; Ho, C.K.

    1998-08-01

    Vapor diffusion in porous media in the presence of its own liquid has often been treated similar to gas diffusion. The gas diffusion rate in porous media is much lower than in free space due to the presence of the porous medium and any liquid present. However, enhanced vapor diffusion has also been postulated such that the diffusion rate may approach free-space values. Existing data and models for enhanced vapor diffusion, including those in TOUGH2, are reviewed in this paper.

  9. Solar Energy Evolution and Diffusion Studies

    Broader source: Energy.gov [DOE]

    Through the Solar Energy Evolution and Diffusion Studies, or SEEDS, program, seven projects are investigating strategies to accelerate the pace of change for solar energy technologies as they are...

  10. Producing microchannels using graduated diffusion bonding of...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    of precision machined foils or sheets (laminates) to make a micro-channel reactor A novel multi-step process for the diffusion bonding of laminates National Energy Technology...

  11. ARM - Measurement - Shortwave spectral diffuse downwelling irradiance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    diffuse downwelling irradiance ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Shortwave spectral diffuse downwelling irradiance The rate at which spectrally resolved radiant energy at wavelengths shorter than approximately 4 {mu}m, that has been scattered in the atmosphere at least once, passes through a horizontal unit area in a downward direction. Categories Radiometric Instruments The above

  12. Permeation, Diffusion, Solubility Measurements: Results and Issues |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Permeation, Diffusion, Solubility Measurements: Results and Issues Permeation, Diffusion, Solubility Measurements: Results and Issues Research Objectives: To understand the hydrogen transport behavior Under conditions relevant to hydrogen delivery infrastructure pipeline_group_feng_ms.pdf (1.93 MB) More Documents & Publications Hydrogen Embrittlement Fundamentals, Modeling, and Experiment From Cleanup to Stewardship Results...National Institute of Standards and

  13. Symposium on hydrodynamic diffusion of suspended particles. Final report

    SciTech Connect (OSTI)

    1996-05-01

    The symposium brought together researchers from academic, government, and private laboratories interested in the interactions of particles in fluids and in granular media. There were 68 participants, including 24 students, currently residing In 12 countries. The participants represented a wide variety of fields, including applied mathematics, chemical engineering, computer science, fluid dynamics, materials science, mechanical engineering, physics, and theoretical and applied mechanics. There were 33 talks and 16 posters presented. The focus of the symposium was on multiparticle hydrodynamic interactions which lead to fluctuating motion of the particles and resulting particle migration and dispersion or diffusion. Implications of these phenomena were described for sedimentation, fluidization, suspension flows, granular flows, and fiber suspensions. Computer simulation techniques as well as experimental techniques were described.

  14. Modeling heat conduction and radiation transport with the diffusion...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    heat conduction and radiation transport with the diffusion equation in NIF ALE-AMR This ... IOPscience Modeling Heat Conduction and Radiation Transport with the Diffusion Equation in ...

  15. Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of Titanium Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of Titanium 2007 Diesel Engine-Efficiency & ...

  16. K-25 Gaseous Diffusion Process Building | Department of Energy

    Broader source: Energy.gov (indexed) [DOE]

    other two being electromagnetic separation and liquid thermal diffusion. The S-50 liquid thermal diffusion plant, using convection to separate the isotopes in thousands of tall...

  17. Transport diffusion of liquid water and methanol through membranes...

    Office of Scientific and Technical Information (OSTI)

    Transport diffusion of liquid water and methanol through membranes Citation Details In-Document Search Title: Transport diffusion of liquid water and methanol through membranes The ...

  18. Paducah Gaseous Diffusion Plant - GW OU Northwest Plume | Department...

    Office of Environmental Management (EM)

    Gaseous Diffusion Plant - GW OU Northwest Plume Paducah Gaseous Diffusion Plant - GW OU Northwest Plume January 1, 2014 - 12:00pm Addthis US Department of Energy Groundwater ...

  19. DOE Issues Final Request for Proposal for Paducah Gaseous Diffusion...

    Energy Savers [EERE]

    Paducah Gaseous Diffusion Plant Support Services DOE Issues Final Request for Proposal for Paducah Gaseous Diffusion Plant Support Services October 6, 2014 - 4:13pm Addthis Media ...

  20. DOE Seeks Small Businesses for Paducah Gaseous Diffusion Plant...

    Office of Environmental Management (EM)

    Seeks Small Businesses for Paducah Gaseous Diffusion Plant Infrastructure Support Services DOE Seeks Small Businesses for Paducah Gaseous Diffusion Plant Infrastructure Support Services ...

  1. EA-1927: Paducah Gaseous Diffusion Plant Potential Land and Facilities...

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Paducah Gaseous Diffusion Plant Potential Land and Facilities Transfers; McCracken County, Kentucky EA-1927: Paducah Gaseous Diffusion Plant Potential Land and Facilities ...

  2. DOE Seeks Small Businesses for Portsmouth Gaseous Diffusion Plant...

    Energy Savers [EERE]

    Portsmouth Gaseous Diffusion Plant Infrastructure Support Services DOE Seeks Small Businesses for Portsmouth Gaseous Diffusion Plant Infrastructure Support Services July 2, 2014 - ...

  3. Deactivation Project Begins at Paducah Gaseous Diffusion Plant...

    Office of Environmental Management (EM)

    Begins at Paducah Gaseous Diffusion Plant Deactivation Project Begins at Paducah Gaseous Diffusion Plant October 21, 2014 - 5:00pm Addthis EM Paducah site lead Jennifer Woodard ...

  4. Portsmouth Gaseous Diffusion Plant - Quadrant I Groundwater Investigat...

    Office of Environmental Management (EM)

    Portsmouth Gaseous Diffusion Plant - Quadrant I Groundwater Investigative (5-Unit) Area Plume Portsmouth Gaseous Diffusion Plant - Quadrant I Groundwater Investigative (5-Unit) ...

  5. Paducah Gaseous Diffusion Plant - GW OU Southwest Plume | Department...

    Office of Environmental Management (EM)

    Southwest Plume Paducah Gaseous Diffusion Plant - GW OU Southwest Plume January 1, 2014 - ... InstallationName, State: Paducah Gaseous Diffusion Plant, KY Responsible DOE Office: ...

  6. Paducah Gaseous Diffusion Plant - GW OU Northeast Plume | Department...

    Office of Environmental Management (EM)

    Northeast Plume Paducah Gaseous Diffusion Plant - GW OU Northeast Plume January 1, 2014 - ... InstallationName, State: Paducah Gaseous Diffusion Plant, KY Responsible DOE Office: ...

  7. Mechanical memory

    DOE Patents [OSTI]

    Gilkey, Jeffrey C.; Duesterhaus, Michelle A.; Peter, Frank J.; Renn, Rosemarie A.; Baker, Michael S.

    2006-08-15

    A first-in-first-out (FIFO) microelectromechanical memory apparatus (also termed a mechanical memory) is disclosed. The mechanical memory utilizes a plurality of memory cells, with each memory cell having a beam which can be bowed in either of two directions of curvature to indicate two different logic states for that memory cell. The memory cells can be arranged around a wheel which operates as a clocking actuator to serially shift data from one memory cell to the next. The mechanical memory can be formed using conventional surface micromachining, and can be formed as either a nonvolatile memory or as a volatile memory.

  8. Mechanical memory

    DOE Patents [OSTI]

    Gilkey, Jeffrey C.; Duesterhaus, Michelle A.; Peter, Frank J.; Renn, Rosemarie A.; Baker, Michael S.

    2006-05-16

    A first-in-first-out (FIFO) microelectromechanical memory apparatus (also termed a mechanical memory) is disclosed. The mechanical memory utilizes a plurality of memory cells, with each memory cell having a beam which can be bowed in either of two directions of curvature to indicate two different logic states for that memory cell. The memory cells can be arranged around a wheel which operates as a clocking actuator to serially shift data from one memory cell to the next. The mechanical memory can be formed using conventional surface micromachining, and can be formed as either a nonvolatile memory or as a volatile memory.

  9. CHEMISTRY IN DIFFUSE CLOUDS WITH TRANSIENT MICROSTRUCTURE

    SciTech Connect (OSTI)

    Cecchi-Pestellini, C.; Casu, S.; Williams, D. A.; Viti, S.

    2009-12-01

    Microstructure is observed on many lines of sight in the diffuse interstellar medium, mainly through variations in atomic line absorptions on timescales of a decade or less. This timescale implies that microstructure exists on a size scale comparable with that of the solar system; it is overpressured and transient. Both observations and theory confirm that a specific chemistry occurs in microstructure. We therefore explore a model of diffuse interstellar gas in which the chemistry in diffuse clouds is supplemented by chemistry in many transient and tiny perturbations. These perturbations are here assumed to be of unidentified origin, but it is assumed that ambipolar diffusion occurs within them. For plausible physical parameters, we find that this model can account for the range of molecular column densities observed in diffuse clouds, including species not usually accounted for by conventional models. Some molecular ions, predicted to be generated in the microstructure (including HS{sup +}, CH{sup +} {sub 2}, CH{sup +} {sub 3}, H{sub 2}O{sup +}, and H{sub 3}O{sup +}) but not yet observed in diffuse clouds, should be present at levels that may allow their detection.

  10. Agreement Mechanisms

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Agreement Mechanisms Agreement Mechanisms World-class experts and capabilities countering all aspects of explosive threats, and aiming predominantly at enhanced detection capabilities. CRADA: Cooperative Research and Development Agreement What is it? Work performed in collaboration with a sponsor. What does it do? Enables Los Alamos staff to participate with industry, academia, and nonprofit entities on collaborative R&D activities of mutual benefit. When is it used? An organization's

  11. Computational mechanics

    SciTech Connect (OSTI)

    Goudreau, G.L.

    1993-03-01

    The Computational Mechanics thrust area sponsors research into the underlying solid, structural and fluid mechanics and heat transfer necessary for the development of state-of-the-art general purpose computational software. The scale of computational capability spans office workstations, departmental computer servers, and Cray-class supercomputers. The DYNA, NIKE, and TOPAZ codes have achieved world fame through our broad collaborators program, in addition to their strong support of on-going Lawrence Livermore National Laboratory (LLNL) programs. Several technology transfer initiatives have been based on these established codes, teaming LLNL analysts and researchers with counterparts in industry, extending code capability to specific industrial interests of casting, metalforming, and automobile crash dynamics. The next-generation solid/structural mechanics code, ParaDyn, is targeted toward massively parallel computers, which will extend performance from gigaflop to teraflop power. Our work for FY-92 is described in the following eight articles: (1) Solution Strategies: New Approaches for Strongly Nonlinear Quasistatic Problems Using DYNA3D; (2) Enhanced Enforcement of Mechanical Contact: The Method of Augmented Lagrangians; (3) ParaDyn: New Generation Solid/Structural Mechanics Codes for Massively Parallel Processors; (4) Composite Damage Modeling; (5) HYDRA: A Parallel/Vector Flow Solver for Three-Dimensional, Transient, Incompressible Viscous How; (6) Development and Testing of the TRIM3D Radiation Heat Transfer Code; (7) A Methodology for Calculating the Seismic Response of Critical Structures; and (8) Reinforced Concrete Damage Modeling.

  12. Experimental Evidence Supported by Simulations of a Very High H{sub 2} Diffusion in Metal Organic Framework Materials

    SciTech Connect (OSTI)

    Salles, F.; Maurin, G.; Jobic, H.; Koza, M. M.; Llewellyn, P. L.; Devic, T.; Serre, C.; Ferey, G.

    2008-06-20

    Quasielastic neutron scattering measurements are combined with molecular dynamics simulations to extract the self-diffusion coefficient of hydrogen in the metal organic frameworks MIL-47(V) and MIL-53(Cr). We find that the diffusivity of hydrogen at low loading is about 2 orders of magnitude higher than in zeolites. Such a high mobility has never been experimentally observed before in any nanoporous materials, although it was predicted in carbon nanotubes. Either 1D or 3D diffusion mechanisms are elucidated depending on the chemical features of the MIL framework.

  13. Computational mechanics

    SciTech Connect (OSTI)

    Raboin, P J

    1998-01-01

    The Computational Mechanics thrust area is a vital and growing facet of the Mechanical Engineering Department at Lawrence Livermore National Laboratory (LLNL). This work supports the development of computational analysis tools in the areas of structural mechanics and heat transfer. Over 75 analysts depend on thrust area-supported software running on a variety of computing platforms to meet the demands of LLNL programs. Interactions with the Department of Defense (DOD) High Performance Computing and Modernization Program and the Defense Special Weapons Agency are of special importance as they support our ParaDyn project in its development of new parallel capabilities for DYNA3D. Working with DOD customers has been invaluable to driving this technology in directions mutually beneficial to the Department of Energy. Other projects associated with the Computational Mechanics thrust area include work with the Partnership for a New Generation Vehicle (PNGV) for ''Springback Predictability'' and with the Federal Aviation Administration (FAA) for the ''Development of Methodologies for Evaluating Containment and Mitigation of Uncontained Engine Debris.'' In this report for FY-97, there are five articles detailing three code development activities and two projects that synthesized new code capabilities with new analytic research in damage/failure and biomechanics. The article this year are: (1) Energy- and Momentum-Conserving Rigid-Body Contact for NIKE3D and DYNA3D; (2) Computational Modeling of Prosthetics: A New Approach to Implant Design; (3) Characterization of Laser-Induced Mechanical Failure Damage of Optical Components; (4) Parallel Algorithm Research for Solid Mechanics Applications Using Finite Element Analysis; and (5) An Accurate One-Step Elasto-Plasticity Algorithm for Shell Elements in DYNA3D.

  14. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant – November 2013

    Office of Energy Efficiency and Renewable Energy (EERE)

    Review of Preparedness for Severe Natural Phenomena Events at the Portsmouth Gaseous Diffusion Plant.

  15. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant- January 2013

    Office of Energy Efficiency and Renewable Energy (EERE)

    Review of the Portsmouth Gaseous Diffusion Plant Work Planning and Control Activities Prior to Work Execution

  16. Diffusion and particle production in relativistic systems

    SciTech Connect (OSTI)

    Wolschin, Georg

    2008-08-29

    The short parton production phase in high-energy heavy-ion collisions is treated analytically as a nonlinear diffusion process. The initial buildup of the rapidity density distributions of produced charged hadrons within {tau}{sub p}{approx_equal}0.25 fm/c occurs in three sources during the colored partonic phase. In a two-step approach, the subsequent diffusion in pseudorapidity space during the interaction time of {tau}{sub int}{approx_equal}7-10 fm/c (mean duration of the collision) is essentially linear as expressed in the Relativistic Diffusion Model (RDM) which yields excellent agreement with the data at RHIC energies, and allows for predictions at LHC energies. Results for d+Au are discussed in detail.

  17. Maximal energy extraction under discrete diffusive exchange

    SciTech Connect (OSTI)

    Hay, M. J.; Schiff, J.; Fisch, N. J.

    2015-10-15

    Waves propagating through a bounded plasma can rearrange the densities of states in the six-dimensional velocity-configuration phase space. Depending on the rearrangement, the wave energy can either increase or decrease, with the difference taken up by the total plasma energy. In the case where the rearrangement is diffusive, only certain plasma states can be reached. It turns out that the set of reachable states through such diffusive rearrangements has been described in very different contexts. Building upon those descriptions, and making use of the fact that the plasma energy is a linear functional of the state densities, the maximal extractable energy under diffusive rearrangement can then be addressed through linear programming.

  18. K-25 Gaseous Diffusion Process Building | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    » Signature Facilities » K-25 Gaseous Diffusion Process Building K-25 Gaseous Diffusion Process Building K-25 Gaseous Diffusion Process Building New! K-25 Virtual Museum The K-25 plant, located on the southwestern end of the Oak Ridge reservation, used the gaseous diffusion method to separate uranium-235 from uranium-238. Based on the well-known principle that molecules of a lighter isotope would pass through a porous barrier more readily than molecules of a heavier one, gaseous diffusion

  19. ARM - Measurement - Shortwave broadband diffuse downwelling irradiance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    diffuse downwelling irradiance ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Shortwave broadband diffuse downwelling irradiance All of the solar radiation, across the wavelength range of 0.4 and 4 {mu}m, coming directly from the sky except for solar radiation coming directly from the sun and the circumsolar irradiance within approximately three degrees of the sun. Categories Radiometric Instruments

  20. Self- and zinc diffusion in gallium antimonide

    SciTech Connect (OSTI)

    Nicols, Samuel Piers

    2002-03-26

    The technological age has in large part been driven by the applications of semiconductors, and most notably by silicon. Our lives have been thoroughly changed by devices using the broad range of semiconductor technology developed over the past forty years. Much of the technological development has its foundation in research carried out on the different semiconductors whose properties can be exploited to make transistors, lasers, and many other devices. While the technological focus has largely been on silicon, many other semiconductor systems have applications in industry and offer formidable academic challenges. Diffusion studies belong to the most basic studies in semiconductors, important from both an application as well as research standpoint. Diffusion processes govern the junctions formed for device applications. As the device dimensions are decreased and the dopant concentrations increased, keeping pace with Moore's Law, a deeper understanding of diffusion is necessary to establish and maintain the sharp dopant profiles engineered for optimal device performance. From an academic viewpoint, diffusion in semiconductors allows for the study of point defects. Very few techniques exist which allow for the extraction of as much information of their properties. This study focuses on diffusion in the semiconductor gallium antimonide (GaSb). As will become clear, this compound semiconductor proves to be a powerful one for investigating both self- and foreign atom diffusion. While the results have direct applications for work on GaSb devices, the results should also be taken in the broader context of III-V semiconductors. Results here can be compared and contrasted to results in systems such as GaAs and even GaN, indicating trends within this common group of semiconductors. The results also have direct importance for ternary and quaternary semiconductor systems used in devices such as high speed InP/GaAsSb/InP double heterojunction bipolar transistors (DHBT) [Dvorak

  1. Fractofusion mechanism

    SciTech Connect (OSTI)

    Yasui, K. . Dept. of Physics)

    1992-11-01

    In this paper, the fractofusion mechanism of cold fusion is investigated theoretically. The conditions necessary for fractofusion during the absorption of deuterium atoms by palladium specimens (the condition of so-called cold fusion experiments) is clarified, including crack generation at grain boundaries, the high orientation angle of grains, rapid crack formation, the increase of electrical resistance around a crack, the large width of cracks, and the generation of many cracks. The origin and quantity of the electrical field inside cracks in the conductor are also clarified. By the fractofusion mechanism, the experimental facts that neutron emissions are observed in bursts, that sometimes they coincide with the deformation of a palladium specimen, and that in many experiments excess neutrons were not observed are qualitatively explained. The upper limit of the total fractofusion yields during the absorption of deuterium atoms by palladium specimens are estimated.

  2. Soot precursor measurements in benzene and hexane diffusion flames

    SciTech Connect (OSTI)

    Kobayashi, Y.; Furuhata, T.; Amagai, K.; Arai, M.

    2008-08-15

    To clarify the mechanism of soot formation in diffusion flames of liquid fuels, measurements of soot and its precursors were carried out. Sooting diffusion flames formed by a small pool combustion equipment system were used for this purpose. Benzene and hexane were used as typical aromatic and paraffin fuels. A laser-induced fluorescence (LIF) method was used to obtain spatial distributions of polycyclic aromatic hydrocarbons (PAHs), which are considered as soot particles. Spatial distributions of soot in test flames were measured by a laser-induced incandescence (LII) method. Soot diameter was estimated from the temporal change of LII intensity. A region of transition from PAHs to soot was defined from the results of LIF and LII. Flame temperatures, PAH species, and soot diameters in this transition region were investigated for both benzene and hexane flames. The results show that though the flame structures of benzene and hexane were different, the temperature in the PAHs-soot transition region of the benzene flame was similar to that of the hexane flame. Furthermore, the relationship between the PAH concentrations measured by gas chromatography in both flames and the PAH distributions obtained from LIF are discussed. It was found that PAHs with smaller molecular mass, such as benzene and toluene, remained in both the PAHs-soot transition and sooting regions, and it is thought that molecules heavier than pyrene are the leading candidates for soot precursor formation. (author)

  3. Zero-flux planes, flux reversals and diffusion paths in ternary and quaternary diffusion

    SciTech Connect (OSTI)

    Dayananda, M.A.

    1986-05-23

    During isothermal multicomponent diffusion, interdiffusion fluxes of individual components can go to zero at zero-flux planes (ZFP) and exhibit flux reversals from one side to the other of such planes. Interdiffusion fluxes as well as the locations and compositions of ZFPs for components are determined directly from the concentration profiles of diffusion couples without the need for prior knowledge of interdiffusion coefficients. The development and identification of ZFPs is reviewed with the aid of single phase and two-phase diffusion couples investigated in the Cu-Ni-Zn system at 775/sup 0/C. ZFP locations in the diffusion zone nearly correspond to sections where the activity of a component is the same as its activity in either of the terminal alloys of a couple. Path slopes at ZFPs are uniquely dictated by the atomic mobility and thermodynamic data for the components. Discontinuous flux reversals for the components can also occur at interfaces in multiphase couples. Identification of ZFPs is also presented for diffusion in the Cu-Ni-Zn-Mn quaternary system. Analytical representation of diffusion paths for both ternary and quaternary diffusion couples is presented with the aid of characteristic path parameters.

  4. Modeling and Uncertainty Quantification of Vapor Sorption and Diffusion in Heterogeneous Polymers

    SciTech Connect (OSTI)

    Sun, Yunwei; Harley, Stephen J.; Glascoe, Elizabeth A.

    2015-08-13

    A high-fidelity model of kinetic and equilibrium sorption and diffusion is developed and exercised. The gas-diffusion model is coupled with a triple-sorption mechanism: Henry’s law absorption, Langmuir adsorption, and pooling or clustering of molecules at higher partial pressures. Sorption experiments are conducted and span a range of relative humidities (0-95 %) and temperatures (30-60 °C). Kinetic and equilibrium sorption properties and effective diffusivity are determined by minimizing the absolute difference between measured and modeled uptakes. Uncertainty quantification and sensitivity analysis methods are described and exercised herein to demonstrate the capability of this modeling approach. Water uptake in silica-filled and unfilled poly(dimethylsiloxane) networks is investigated; however, the model is versatile enough to be used with a wide range of materials and vapors.

  5. Solves the Multigroup Neutron Diffusion Equation

    Energy Science and Technology Software Center (OSTI)

    1995-06-23

    GNOMER is a program which solves the multigroup neutron diffusion equation in 1D, 2D and 3D cartesian geometry. The program is designed to calculate the global core power distributions (with thermohydraulic feedbacks), as well as power distribution and homogenized cross sections over a fuel assembly.

  6. Local measurement of thermal conductivity and diffusivity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hurley, David H.; Schley, Robert S.; Khafizov, Marat; Wendt, Brycen L.

    2015-12-01

    Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness formore » extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representative of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agree closely with literature values. Lastly, a distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.« less

  7. Local measurement of thermal conductivity and diffusivity

    SciTech Connect (OSTI)

    Hurley, David H.; Schley, Robert S.; Khafizov, Marat; Wendt, Brycen L.

    2015-12-01

    Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness for extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representative of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agree closely with literature values. Lastly, a distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.

  8. Local measurement of thermal conductivity and diffusivity

    SciTech Connect (OSTI)

    Hurley, David H.; Schley, Robert S.; Khafizov, Marat; Wendt, Brycen L.

    2015-12-15

    Simultaneous measurement of local thermal diffusivity and conductivity is demonstrated on a range of ceramic samples. This was accomplished by measuring the temperature field spatial profile of samples excited by an amplitude modulated continuous wave laser beam. A thin gold film is applied to the samples to ensure strong optical absorption and to establish a second boundary condition that introduces an expression containing the substrate thermal conductivity. The diffusivity and conductivity are obtained by comparing the measured phase profile of the temperature field to a continuum based model. A sensitivity analysis is used to identify the optimal film thickness for extracting the both substrate conductivity and diffusivity. Proof of principle studies were conducted on a range of samples having thermal properties that are representatives of current and advanced accident tolerant nuclear fuels. It is shown that by including the Kapitza resistance as an additional fitting parameter, the measured conductivity and diffusivity of all the samples considered agreed closely with the literature values. A distinguishing feature of this technique is that it does not require a priori knowledge of the optical spot size which greatly increases measurement reliability and reproducibility.

  9. Analysis of discrete reaction-diffusion equations for autocatalysis and continuum diffusion equations for transport

    SciTech Connect (OSTI)

    Wang, Chi-Jen

    2013-01-01

    In this thesis, we analyze both the spatiotemporal behavior of: (A) non-linear “reaction” models utilizing (discrete) reaction-diffusion equations; and (B) spatial transport problems on surfaces and in nanopores utilizing the relevant (continuum) diffusion or Fokker-Planck equations. Thus, there are some common themes in these studies, as they all involve partial differential equations or their discrete analogues which incorporate a description of diffusion-type processes. However, there are also some qualitative differences, as shall be discussed below.

  10. Field-Scale Effective Matrix Diffusion Coefficient for FracturedRock: Results From Literature Survey

    SciTech Connect (OSTI)

    Zhou, Quanlin; Liu, Hui Hai; Molz, Fred J.; Zhang, Yingqi; Bodvarsson, Gudmundur S.

    2005-03-28

    Matrix diffusion is an important mechanism for solutetransport in fractured rock. We recently conducted a literature survey onthe effective matrix diffusion coefficient, Dem, a key parameter fordescribing matrix diffusion processes at the field scale. Forty fieldtracer tests at 15 fractured geologic sites were surveyed and selectedfor study, based on data availability and quality. Field-scale Dem valueswere calculated, either directly using data reported in the literature orby reanalyzing the corresponding field tracer tests. Surveyed dataindicate that the effective-matrix-diffusion-coefficient factor FD(defined as the ratio of Dem to the lab-scale matrix diffusioncoefficient [Dem]of the same tracer) is generally larger than one,indicating that the effective matrix diffusion coefficient in the fieldis comparatively larger than the matrix diffusion coefficient at therock-core scale. This larger value could be attributed to the manymass-transfer processes at different scales in naturally heterogeneous,fractured rock systems. Furthermore, we observed a moderate trend towardsystematic increase in the emDFmDDF value with observation scale,indicating that the effective matrix diffusion coefficient is likely tobe statistically scale dependent. The FD value ranges from 1 to 10,000for observation scales from 5 to 2,000 m. At a given scale, the FD valuevaries by two orders of magnitude, reflecting the influence of differingdegrees of fractured rock heterogeneity at different sites. In addition,the surveyed data indicate that field-scale longitudinal dispersivitygenerally increases with observation scale, which is consistent withprevious studies. The scale-dependent field-scale matrix diffusioncoefficient (and dispersivity) may have significant implications forassessing long-term, large-scale radionuclide and contaminant transportevents in fractured rock, both for nuclear waste disposal and contaminantremediation.

  11. Multiscale simulation of xenon diffusion and grain boundary segregation in UO₂

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Andersson, David A.; Tonks, Michael R.; Casillas, Luis; Vyas, Shyam; Nerikar, Pankaj; Uberuaga, Blas P.; Stanek, Christopher R.

    2015-07-01

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. The segregation rate is controlled by diffusion of fission gas atoms through the grains and interaction with the boundaries. Based on the mechanisms established from earlier density functional theory (DFT) and empirical potential calculations, diffusion models for xenon (Xe), uranium (U) vacancies and U interstitials in UO₂ have been derived for both intrinsic (no irradiation) and irradiation conditions. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model formore » the interaction between Xe atoms and three different grain boundaries in UO₂ (Σ5 tilt, Σ5 twist and a high angle random boundary), as derived from atomistic calculations. The present model does not attempt to capture nucleation or growth of fission gas bubbles at the grain boundaries. The point defect and Xe diffusion and segregation models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as to simulate Xe redistribution for a few simple microstructures.« less

  12. Communication: Modeling of concentration dependent water diffusivity in ionic solutions: Role of intermolecular charge transfer

    SciTech Connect (OSTI)

    Yao, Yi; Berkowitz, Max L. E-mail: ykanai@unc.edu; Kanai, Yosuke E-mail: ykanai@unc.edu

    2015-12-28

    The translational diffusivity of water in solutions of alkali halide salts depends on the identity of ions, exhibiting dramatically different behavior even in solutions of similar salts of NaCl and KCl. The water diffusion coefficient decreases as the salt concentration increases in NaCl. Yet, in KCl solution, it slightly increases and remains above bulk value as salt concentration increases. Previous classical molecular dynamics simulations have failed to describe this important behavior even when polarizable models were used. Here, we show that inclusion of dynamical charge transfer among water molecules produces results in a quantitative agreement with experiments. Our results indicate that the concentration-dependent diffusivity reflects the importance of many-body effects among the water molecules in aqueous ionic solutions. Comparison with quantum mechanical calculations shows that a heterogeneous and extended distribution of charges on water molecules around the ions due to ion-water and also water-water charge transfer plays a very important role in controlling water diffusivity. Explicit inclusion of the charge transfer allows us to model accurately the difference in the concentration-dependent water diffusivity between Na{sup +} and K{sup +} ions in simulations, and it is likely to impact modeling of a wide range of systems for medical and technological applications.

  13. Multiscale simulation of xenon diffusion and grain boundary segregation in UO₂

    SciTech Connect (OSTI)

    Andersson, David A.; Tonks, Michael R.; Casillas, Luis; Vyas, Shyam; Nerikar, Pankaj; Uberuaga, Blas P.; Stanek, Christopher R.

    2015-07-01

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. The segregation rate is controlled by diffusion of fission gas atoms through the grains and interaction with the boundaries. Based on the mechanisms established from earlier density functional theory (DFT) and empirical potential calculations, diffusion models for xenon (Xe), uranium (U) vacancies and U interstitials in UO₂ have been derived for both intrinsic (no irradiation) and irradiation conditions. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO₂ (Σ5 tilt, Σ5 twist and a high angle random boundary), as derived from atomistic calculations. The present model does not attempt to capture nucleation or growth of fission gas bubbles at the grain boundaries. The point defect and Xe diffusion and segregation models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as to simulate Xe redistribution for a few simple microstructures.

  14. ELEVATING MECHANISM

    DOE Patents [OSTI]

    Frederick, H.S.; Kinsella, M.A.

    1959-02-24

    An elevator is described, which is arranged for movement both in a horizontal and in a vertical direction so that the elevating mechanism may be employed for servicing equipment at separated points in a plant. In accordance with the present invention, the main elevator chassis is suspended from a monorail. The chassis, in turn supports a vertically moveable carriage, a sub- carriage vertically moveable on the carriage, and a turntable carried by the sub- carriage and moveable through an arc of 90 with the equipment attached thereto. In addition, the chassis supports all the means required to elevate or rotate the equipment.

  15. Molecular Modeling of Diffusion on a Crystalline PETN Surface

    SciTech Connect (OSTI)

    Lin, P; Khare, R; Gee, R H; Weeks, B L

    2007-07-13

    Surface diffusion on a PETN crystal was investigated by treating the surface diffusion as an activated process in the formalism of transition state theory. In particular, surface diffusion on the (110) and (101) facets, as well as diffusion between these facets, were considered. We successfully obtained the potential energy barriers required for PETN surface diffusion. Our results show that the (110) surface is more thermally active than the (101) surface and PETN molecules mainly diffuses from the (110) to (101) facet. These results are in good agreement with experimental observations and previous simulations.

  16. First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

    SciTech Connect (OSTI)

    Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; Wei, Su -Huai

    2015-02-17

    The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is general for many other systems.

  17. First-principles multiple-barrier diffusion theory. The case study of interstitial diffusion in CdTe

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ji -Hui; Park, Ji -Sang; Kang, Joongoo; Wei, Su -Huai

    2015-02-17

    The diffusion of particles in solid-state materials generally involves several sequential thermal-activation processes. However, presently, diffusion coefficient theory only deals with a single barrier, i.e., it lacks an accurate description to deal with multiple-barrier diffusion. Here, we develop a general diffusion coefficient theory for multiple-barrier diffusion. Using our diffusion theory and first-principles calculated hopping rates for each barrier, we calculate the diffusion coefficients of Cd, Cu, Te, and Cl interstitials in CdTe for their full multiple-barrier diffusion pathways. As a result, we found that the calculated diffusivity agrees well with the experimental measurement, thus justifying our theory, which is generalmore » for many other systems.« less

  18. Derivation of effective fission gas diffusivities in UO2 from lower length scale simulations and implementation of fission gas diffusion models in BISON

    SciTech Connect (OSTI)

    Andersson, Anders David Ragnar; Pastore, Giovanni; Liu, Xiang-Yang; Perriot, Romain Thibault; Tonks, Michael; Stanek, Christopher Richard

    2014-11-07

    This report summarizes the development of new fission gas diffusion models from lower length scale simulations and assessment of these models in terms of annealing experiments and fission gas release simulations using the BISON fuel performance code. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations, continuum models for diffusion of xenon (Xe) in UO2 were derived for both intrinsic conditions and under irradiation. The importance of the large XeU3O cluster (a Xe atom in a uranium + oxygen vacancy trap site with two bound uranium vacancies) is emphasized, which is a consequence of its high mobility and stability. These models were implemented in the MARMOT phase field code, which is used to calculate effective Xe diffusivities for various irradiation conditions. The effective diffusivities were used in BISON to calculate fission gas release for a number of test cases. The results are assessed against experimental data and future directions for research are outlined based on the conclusions.

  19. Fractionation of soil gases by diffusion of water vapor, gravitational settling, and thermal diffusion

    SciTech Connect (OSTI)

    Severinghaus, J.P.; Bender, M.L. [Univ. of Rhode Island, RI (United States)] [Univ. of Rhode Island, RI (United States); Keeling, R.F. [Scripps Institution of Oceanography, LaJolla, CA (United States)] [Scripps Institution of Oceanography, LaJolla, CA (United States); Broecker, W.S. [Lamont-Doherty Earth Observatory, Palisades, NY (United States)] [Lamont-Doherty Earth Observatory, Palisades, NY (United States)

    1996-03-01

    Air sampled from the moist unsaturated zone in a sand dune exhibits depletion in the heavy isotopes of N{sub 2} and O{sub 2}. We propose that the depletion is caused by a diffusive flux of water vapor out of the dune, which sweeps out the other gases, forcing them to diffuse back into the dune. The heavy isotopes of N{sub 2} and O{sub 2} diffuse back more slowly, resulting in a steady-state depletion of the heavy isotopesin the dune interior. We predict the effect`s magnitude with molecular diffusion theory and reproduce it in a laboratory simulation, finding good agreement between field, theory, and lab. The magnitude of the effect is governed by the ratio of the binary diffusivities against water vapor of a pair of gases, and increases {approximately} linearly with the difference between the water vapor mole fraction of the site and the advectively mixed reservoir with which it is in diffusive contact (in most cases the atmosphere). 32 refs., 1 fig., 3 tabs.

  20. Methodology and apparatus for diffuse photon imaging

    DOE Patents [OSTI]

    Feng, S.C.; Zeng, F.; Zhao, H.L.

    1997-12-09

    Non-invasive near infrared optical medical imaging devices for both hematoma detection in the brain and early tumor detection in the breast is achieved using image reconstruction which allows a mapping of the position dependent contrast diffusive propagation constants, which are related to the optical absorption coefficient and scattering coefficient in the tissue, at near infrared wavelengths. Spatial resolutions in the range of 5 mm for adult brain sizes and breast sizes can be achieved. The image reconstruction utilizes WKB approximation on most probable diffusion paths which has as lowest order approximation the straight line-of-sight between the plurality of sources and the plurality of detectors. The WKB approximation yields a set of linear equations in which the contrast optical absorption coefficients are the unknowns and for which signals can be generated to produce a pixel map of the contrast optical resolution of the scanned tissue. 58 figs.

  1. Methodology and apparatus for diffuse photon mimaging

    DOE Patents [OSTI]

    Feng, Shechao C.; Zeng, Fanan; Zhao, Hui-Lin

    1997-12-09

    Non-invasive near infrared optical medical imaging devices for both hematoma detection in the brain and early tumor detection in the breast is achieved using image reconstruction which allows a mapping of the position dependent contrast diffusive propagation constants, which are related to the optical absorption coefficient and scattering coefficient in the tissue, at near infrared wavelengths. Spatial resolutions in the range of 5 mm for adult brain sizes and breast sizes can be achieved. The image reconstruction utilizes WKB approximation on most probable diffusion paths which has as lowest order approximation the straight line-of-sight between the plurality of sources and the plurality of detectors. The WKB approximation yields a set of linear equations in which the contrast optical absorption coefficients are the unknowns and for which signals can be generated to produce a pixel map of the contrast optical resolution of the scanned tissue.

  2. Diffusion barriers in modified air brazes

    DOE Patents [OSTI]

    Weil, Kenneth Scott; Hardy, John S; Kim, Jin Yong; Choi, Jung-Pyung

    2013-04-23

    A method for joining two ceramic parts, or a ceramic part and a metal part, and the joint formed thereby. The method provides two or more parts, a braze consisting of a mixture of copper oxide and silver, a diffusion barrier, and then heats the braze for a time and at a temperature sufficient to form the braze into a bond holding the two or more parts together. The diffusion barrier is an oxidizable metal that forms either a homogeneous component of the braze, a heterogeneous component of the braze, a separate layer bordering the braze, or combinations thereof. The oxidizable metal is selected from the group Al, Mg, Cr, Si, Ni, Co, Mn, Ti, Zr, Hf, Pt, Pd, Au, lanthanides, and combinations thereof.

  3. Diffusion barriers in modified air brazes

    DOE Patents [OSTI]

    Weil, Kenneth Scott; Hardy, John S.; Kim, Jin Yong; Choi, Jung-Pyung

    2010-04-06

    A method for joining two ceramic parts, or a ceramic part and a metal part, and the joint formed thereby. The method provides two or more parts, a braze consisting of a mixture of copper oxide and silver, a diffusion barrier, and then heats the braze for a time and at a temperature sufficient to form the braze into a bond holding the two or more parts together. The diffusion barrier is an oxidizable metal that forms either a homogeneous component of the braze, a heterogeneous component of the braze, a separate layer bordering the braze, or combinations thereof. The oxidizable metal is selected from the group Al, Mg, Cr, Si, Ni, Co, Mn, Ti, Zr, Hf, Pt, Pd, Au, lanthanides, and combinations thereof.

  4. Role of carbon surface diffusion and strain on the epitaxial...

    Office of Scientific and Technical Information (OSTI)

    Role of carbon surface diffusion and strain on the epitaxial growth of graphene on SiC(0001). Citation Details In-Document Search Title: Role of carbon surface diffusion and strain ...

  5. Tritium diffusion in lithium oxide solid breeder materials

    SciTech Connect (OSTI)

    Shearer, J.A.; Tam, S.W.; Johnson, C.E.

    1983-01-01

    A review of data of tritium diffusion in Li/sub 2/O is presented. Also diffusion coefficients in Li/sub 2/O of tritium, lithium, oxygen, hydrogen, and deuterium are given. (MOW)

  6. Senior DOE Officials Visit Paducah Gaseous Diffusion Plant Site...

    Energy Savers [EERE]

    Senior DOE Officials Visit Paducah Gaseous Diffusion Plant Site Senior DOE Officials Visit Paducah Gaseous Diffusion Plant Site April 29, 2015 - 12:00pm Addthis EM Paducah site ...

  7. Glass Membrane For Controlled Diffusion Of Gases

    DOE Patents [OSTI]

    Shelby, James E.; Kenyon, Brian E.

    2001-05-15

    A glass structure for controlled permeability of gases includes a glass vessel. The glass vessel has walls and a hollow center for receiving a gas. The glass vessel contains a metal oxide dopant formed with at least one metal selected from the group consisting of transition metals and rare earth metals for controlling diffusion of the gas through the walls of the glass vessel. The vessel releases the gas through its walls upon exposure to a radiation source.

  8. ARM - Measurement - Shortwave narrowband diffuse downwelling irradiance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    downwelling irradiance ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Shortwave narrowband diffuse downwelling irradiance The rate at which radiant energy in narrow bands of wavelengths shorter than approximately 4 {mu}m, that has been scattered in the atmosphere at least once, passes through a horizontal unit area in a downward direction. Categories Radiometric Instruments The above measurement is

  9. ARM - Measurement - Shortwave narrowband diffuse upwelling irradiance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    upwelling irradiance ARM Data Discovery Browse Data Comments? We would love to hear from you! Send us a note below or call us at 1-888-ARM-DATA. Send Measurement : Shortwave narrowband diffuse upwelling irradiance The rate at which radiant energy in narrow bands of wavelengths shorter than approximately 4 {mu}m, that has been scattered in the atmosphere at least once, passes through a horizontal unit area in an upward direction. Categories Radiometric Instruments The above measurement is

  10. Gas mixture for diffuse-discharge switch

    DOE Patents [OSTI]

    Christophorou, L.G.; Carter, J.G.; Hunter, S.R.

    1982-08-31

    Gaseous medium in a diffuse-discharge switch of a high-energy pulse generator is formed of argon combined with a compound selected from the group consisting of CF/sub 4/, C/sub 2/F/sub 6/, C/sub 3/F/sub 8/, n-C/sub 4/F/sub 10/, WF/sub 6/, (CF/sub 3/)/sub 2/S and (CF/sub 3/)/sub 2/O.

  11. Gas mixture for diffuse-discharge switch

    DOE Patents [OSTI]

    Christophorou, Loucas G.; Carter, James G.; Hunter, Scott R.

    1984-01-01

    Gaseous medium in a diffuse-discharge switch of a high-energy pulse generator is formed of argon combined with a compound selected from the group consisting of CF.sub.4, C.sub.2 F.sub.6, C.sub.3 F.sub.8, n-C.sub.4 F.sub.10, WF.sub.6, (CF.sub.3).sub.2 S and (CF.sub.3).sub.2 O.

  12. The Digital Road to Scientific Knowledge Diffusion

    Office of Scientific and Technical Information (OSTI)

    Digital Road to Scientific Knowledge Diffusion A Faster, Better Way to Scientific Progress? By David E. Wojick, Walter L. Warnick, Bonnie C. Carroll, and June Crowe Introduction With the United States federal government spending over $130 billion annually for research and development, ways to increase the productivity of that research can have a significant return on investment. It is well known that all scientific advancement is based on work that has come before. Isaac Newton expressed this

  13. Diffusion method of seperating gaseous mixtures

    DOE Patents [OSTI]

    Pontius, Rex B.

    1976-01-01

    A method of effecting a relatively large change in the relative concentrations of the components of a gaseous mixture by diffusion which comprises separating the mixture into heavier and lighter portions according to major fraction mass recycle procedure, further separating the heavier portions into still heavier subportions according to a major fraction mass recycle procedure, and further separating the lighter portions into still lighter subportions according to a major fraction equilibrium recycle procedure.

  14. Diffuse-dynamic multiparameter diffractometry: A review

    SciTech Connect (OSTI)

    Molodkin, V. B. Shpak, A. P.; Kovalchuk, M. V.; Nosik, V. L.; Machulin, V. F.

    2010-12-15

    The results reported at the Conference on Application of X-Rays, Synchrotron Radiation, Neutrons, and Electrons in Nano-, Bio-, Information-, and Cognitive Technologies (RSNE-NBIC 2009) are briefly reviewed. This review is based on a cycle of studies [1-6] where a new method for studying the structure of real crystals-diffuse-dynamic multiparameter diffractometry (DDMD)-was proposed and substantiated.

  15. Comparison of Diffuse Shortwave Irradiance Measurements

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diffuse Shortwave Irradiance Measurements J. J. Michalsky and J. Schlemmer Atmospheric Sciences Research Center State University of New York Albany, New York B. C. Bush, S. Leitner, D. Marsden, and F. P. J. Valero Scripps Institution of Oceanography University of California, San Diego La Jolla, California R. Dolce and A. Los Kipp & Zonen, Inc. Bohemia, New York and Delft The Netherlands E. G. Dutton Climate Monitoring and Diagnostics Laboratory National Oceanic and Atmospheric Administration

  16. Distributed Energy Resources Market Diffusion Model

    SciTech Connect (OSTI)

    Maribu, Karl Magnus; Firestone, Ryan; Marnay, Chris; Siddiqui,Afzal S.

    2006-06-16

    Distributed generation (DG) technologies, such as gas-fired reciprocating engines and microturbines, have been found to be economically beneficial in meeting commercial-sector electrical, heating, and cooling loads. Even though the electric-only efficiency of DG is lower than that offered by traditional central stations, combined heat and power (CHP) applications using recovered heat can make the overall system energy efficiency of distributed energy resources (DER) greater. From a policy perspective, however, it would be useful to have good estimates of penetration rates of DER under various economic and regulatory scenarios. In order to examine the extent to which DER systems may be adopted at a national level, we model the diffusion of DER in the US commercial building sector under different technical research and technology outreach scenarios. In this context, technology market diffusion is assumed to depend on the system's economic attractiveness and the developer's knowledge about the technology. The latter can be spread both by word-of-mouth and by public outreach programs. To account for regional differences in energy markets and climates, as well as the economic potential for different building types, optimal DER systems are found for several building types and regions. Technology diffusion is then predicted via two scenarios: a baseline scenario and a program scenario, in which more research improves DER performance and stronger technology outreach programs increase DER knowledge. The results depict a large and diverse market where both optimal installed capacity and profitability vary significantly across regions and building types. According to the technology diffusion model, the West region will take the lead in DER installations mainly due to high electricity prices, followed by a later adoption in the Northeast and Midwest regions. Since the DER market is in an early stage, both technology research and outreach programs have the potential to increase

  17. Tritons and tritides as the solute and diffusing species in ceramic tritium breeders

    SciTech Connect (OSTI)

    Fischer, A.K.; Johnson, C.E.

    1987-01-01

    Intragranular diffusion of tritium is an inherent participant in the process of releasing tritium from lithium-containing ceramics that are used to breed tritium in a fusion reactor. The nature of this transport is reviewed in terms of the understanding established for the mechanism of hydrogen migration in other oxides, namely, that the diffusing species is the proton and that it moves from oxide ion to oxide ion, thereby giving rise to apparent hydroxide migration. Analogously, the triton, transiently bonded to successive oxides and forming successive tritoxides, is taken to be the dominant migrating species in ceramic breeders. In addition, tritide becomes a significant participant at low oxygen activity. The relationship of tritons and tritides as the migrating species to the observed release of both reduced and oxidized forms can be understood in terms of the thermodynamic conditions that prevail. Mechanisms exist that can be proposed to rationalize the participation of these species.

  18. Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

    SciTech Connect (OSTI)

    Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

    2015-11-03

    Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying with transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.

  19. Non-Contact Measurement of Thermal Diffusivity in Ion-Implanted Nuclear Materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hofmann, F.; Mason, D. R.; Eliason, J. K.; Maznev, A. A.; Nelson, K. A.; Dudarev, S. L.

    2015-11-03

    Knowledge of mechanical and physical property evolution due to irradiation damage is essential for the development of future fission and fusion reactors. Ion-irradiation provides an excellent proxy for studying irradiation damage, allowing high damage doses without sample activation. Limited ion-penetration-depth means that only few-micron-thick damaged layers are produced. Substantial effort has been devoted to probing the mechanical properties of these thin implanted layers. Yet, whilst key to reactor design, their thermal transport properties remain largely unexplored due to a lack of suitable measurement techniques. Here we demonstrate non-contact thermal diffusivity measurements in ion-implanted tungsten for nuclear fusion armour. Alloying withmore » transmutation elements and the interaction of retained gas with implantation-induced defects both lead to dramatic reductions in thermal diffusivity. These changes are well captured by our modelling approaches. Our observations have important implications for the design of future fusion power plants.« less

  20. Interactive Volume Rendering of Diffusion Tensor Data

    SciTech Connect (OSTI)

    Hlawitschka, Mario; Weber, Gunther; Anwander, Alfred; Carmichael, Owen; Hamann, Bernd; Scheuermann, Gerik

    2007-03-30

    As 3D volumetric images of the human body become an increasingly crucial source of information for the diagnosis and treatment of a broad variety of medical conditions, advanced techniques that allow clinicians to efficiently and clearly visualize volumetric images become increasingly important. Interaction has proven to be a key concept in analysis of medical images because static images of 3D data are prone to artifacts and misunderstanding of depth. Furthermore, fading out clinically irrelevant aspects of the image while preserving contextual anatomical landmarks helps medical doctors to focus on important parts of the images without becoming disoriented. Our goal was to develop a tool that unifies interactive manipulation and context preserving visualization of medical images with a special focus on diffusion tensor imaging (DTI) data. At each image voxel, DTI provides a 3 x 3 tensor whose entries represent the 3D statistical properties of water diffusion locally. Water motion that is preferential to specific spatial directions suggests structural organization of the underlying biological tissue; in particular, in the human brain, the naturally occuring diffusion of water in the axon portion of neurons is predominantly anisotropic along the longitudinal direction of the elongated, fiber-like axons [MMM+02]. This property has made DTI an emerging source of information about the structural integrity of axons and axonal connectivity between brain regions, both of which are thought to be disrupted in a broad range of medical disorders including multiple sclerosis, cerebrovascular disease, and autism [Mos02, FCI+01, JLH+99, BGKM+04, BJB+03].

  1. Diffusion Processes Satisfying a Conservation Law Constraint

    SciTech Connect (OSTI)

    Bakosi, J.; Ristorcelli, J. R.

    2014-03-04

    We investigate coupled stochastic differential equations governing N non-negative continuous random variables that satisfy a conservation principle. In various fields a conservation law requires that a set of fluctuating variables be non-negative and (if appropriately normalized) sum to one. As a result, any stochastic differential equation model to be realizable must not produce events outside of the allowed sample space. We develop a set of constraints on the drift and diffusion terms of such stochastic models to ensure that both the non-negativity and the unit-sum conservation law constraint are satisfied as the variables evolve in time. We investigate the consequences of the developed constraints on the Fokker-Planck equation, the associated system of stochastic differential equations, and the evolution equations of the first four moments of the probability density function. We show that random variables, satisfying a conservation law constraint, represented by stochastic diffusion processes, must have diffusion terms that are coupled and nonlinear. The set of constraints developed enables the development of statistical representations of fluctuating variables satisfying a conservation law. We exemplify the results with the bivariate beta process and the multivariate Wright-Fisher, Dirichlet, and Lochner’s generalized Dirichlet processes.

  2. Diffusion Processes Satisfying a Conservation Law Constraint

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bakosi, J.; Ristorcelli, J. R.

    2014-03-04

    We investigate coupled stochastic differential equations governing N non-negative continuous random variables that satisfy a conservation principle. In various fields a conservation law requires that a set of fluctuating variables be non-negative and (if appropriately normalized) sum to one. As a result, any stochastic differential equation model to be realizable must not produce events outside of the allowed sample space. We develop a set of constraints on the drift and diffusion terms of such stochastic models to ensure that both the non-negativity and the unit-sum conservation law constraint are satisfied as the variables evolve in time. We investigate the consequencesmore » of the developed constraints on the Fokker-Planck equation, the associated system of stochastic differential equations, and the evolution equations of the first four moments of the probability density function. We show that random variables, satisfying a conservation law constraint, represented by stochastic diffusion processes, must have diffusion terms that are coupled and nonlinear. The set of constraints developed enables the development of statistical representations of fluctuating variables satisfying a conservation law. We exemplify the results with the bivariate beta process and the multivariate Wright-Fisher, Dirichlet, and Lochner’s generalized Dirichlet processes.« less

  3. Vapor Barriers or Vapor Diffusion Retarders | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Weatherize » Moisture Control » Vapor Barriers or Vapor Diffusion Retarders Vapor Barriers or Vapor Diffusion Retarders Vapor diffusion retarders installed in a crawlspace can be part of an overall moisture control strategy for your home. | Photo courtesy of Dennis Schroeder, NREL. Vapor diffusion retarders installed in a crawlspace can be part of an overall moisture control strategy for your home. | Photo courtesy of Dennis Schroeder, NREL. In most U.S. climates, vapor barriers, or -- more

  4. FIELD-SCALE EFFECTIVE MATRIX DIFFUSION COEFFICIENT FOR FRACTURED ROCK:RESULTS FROM LITERATURE SURVEY

    SciTech Connect (OSTI)

    Q. Zhou; Hui-Hai Liu; F.J. Molz; Y. Zhang; G.S. Bodvarsson

    2005-04-08

    Matrix diffusion is an important mechanism for solute transport in fractured rock. We recently conducted a literature survey on the effective matrix diffusion coefficient, D{sub m}{sup e}, a key parameter for describing matrix diffusion processes at the field scale. Forty field tracer tests at 15 fractured geologic sites were surveyed and selected for the study, based on data availability and quality. Field-scale D{sub m}{sup e} values were calculated, either directly using data reported in the literature or by reanalyzing the corresponding field tracer tests. Surveyed data indicate that the effective-matrix-diffusion-coefficient factor F{sub D} (defined as the ratio of D{sub m}{sup e} to the lab-scale matrix diffusion coefficient [D{sub m}] of the same tracer) is generally larger than one, indicating that the effective matrix diffusion coefficient in the field is comparatively larger than the matrix diffusion coefficient at the rock-core scale. This larger value can be attributed to the many mass-transfer processes at different scales in naturally heterogeneous, fractured rock systems. Furthermore, we observed a moderate trend toward systematic increase in the F{sub D} value with observation scale, indicating that the effective matrix diffusion coefficient is likely to be statistically scale dependent. The F{sub D} value ranges from 1 to 10,000 for observation scales from 5 to 2,000 m. At a given scale, the F{sub D} value varies by two orders of magnitude, reflecting the influence of differing degrees of fractured rock heterogeneity at different sites. In addition, the surveyed data indicate that field-scale longitudinal dispersivity generally increases with observation scale, which is consistent with previous studies. The scale-dependent field-scale matrix diffusion coefficient (and dispersivity) may have significant implications for assessing long-term, large-scale radionuclide and contaminant transport events in fractured rock, both for nuclear waste disposal

  5. Anti-diffusion metal coated O-rings

    DOE Patents [OSTI]

    Biallas, George Herman; Boyce, James Reid

    2016-03-22

    A method for inhibiting diffusion of gases and/or transmission of photons through elastomeric seals and a diffusion inhibiting elastomeric seal wherein at least a portion of the surface of a diffusion inhibiting elastomeric seal is coated with a compatibly-deformable, malleable metal coating.

  6. Diffusion of a Highly-Charged Supramolecular Assembly: Direct Observation of Ion-Association in Water

    SciTech Connect (OSTI)

    University of California, Berkeley; Lawrence Berkeley National Laboratory; Raymond, Kenneth; Pluth, Michael D.; Tiedemann, Bryan E.F.; van Halbeek, Herman; Nunlist, Rudi; Raymond, Kenneth N.

    2007-10-22

    Understanding the solution behavior of supramolecular assemblies is essential for a full understanding of the formation and chemistry of synthetic host-guest systems. While the interaction between host and guest molecules is generally the focus of mechanistic studies of host-guest complexes, the interaction of the host-guest complex with other species in solution remains largely unknown, although in principle accessible by diffusion studies. Several NMR techniques are available to monitor diffusion and have recently been reviewed. Pulsed gradient spin-echo (PGSE) NMR methods have attracted increasing interest, since they allow diffusion coefficients to be measured with high accuracy; they have been successfully used with observation of {sup 7}Li and {sup 31}P nuclei as well as with {sup 1}H NMR. We report here the direct measurement of diffusion coefficients to observe ion-association interactions by counter cations with a highly-charged supramolecular assembly. Raymond and coworkers have described the design and chemistry of a class of metal-ligand supramolecular assemblies over the past decade. The [Ga{sub 4}L{sub 6}]{sup 12-} (L = 1,5-bis(2,3-dihydroxybenzamido)naphthalene) (1) (Figure 1) assembly has garnered the most attention, with the exploration of the dynamics and mechanism of guest exchange as well as the ability of 1 to achieve either stoichiometric or catalytic reactions inside its interior cavity. Recent studies have revealed the importance of counter cations in solution on the chemistry of 1. During the mechanistic study of the C-H bond activation of aldehydes by [Cp*Ir(PMe{sub 3})(olefin){sup +} {contained_in} 1]{sup 11-} a stepwise guest dissociation mechanism with an ion-paired intermediate was proposed. Similarly, in the mechanism for the hydrolysis of iminium cations generated from the 3-aza Cope rearrangement of enammonium cations in 1, the presence of an exterior ion association was part of the kinetic model. To further substantiate the

  7. Unsteady behavior of locally strained diffusion flames affected by curvature and preferential diffusion

    SciTech Connect (OSTI)

    Yoshida, Kenji; Takagi, Toshimi

    1999-07-01

    Experimental and numerical studies are made of transient H{sub 2}/N{sub 2}--air counterflow diffusion flames unsteadily strained by an impinging micro jet. Two-dimensional temperature measurements by laser Rayleigh scattering method and numerical computations taking into account detailed chemical kinetics are conducted paying attention to transient local extinction and reignition in relation to the unsteadiness, flame curvature and preferential diffusion effects. The results are as follows. (1) Transient local flame extinction is observed where the micro jet impinges. But, the transient flame can survive instantaneously in spite of quite high stretch rate where the steady flame cannot exist. (2) Reignition is observed after the local extinction due to the micro air jet impingement. The temperature after reignition becomes significantly higher than that of the original flame. This high temperature is induced by the concentration of H{sub 2} species due to the preferential diffusion in relation to the concave curvature. The predicted behaviors of the local transient extinction and reignition are well confirmed by the experiments. (3) The reignition is induced after the formation of combustible premixed gas mixture and the consequent flame propagation. (4) The reignition is hardly observed after the extinction by micro fuel jet impingement. This is due to the dilution of H{sub 2} species induced by the preferential diffusion in relation to the convex curvature. (5) The maximum flame temperature cannot be rationalized by the stretch rate but changes widely depending on the unsteadiness and the flame curvature in relation with preferential diffusion.

  8. Macromolecular coal structure as revealed by novel diffusion tests

    SciTech Connect (OSTI)

    Peppas, N.A.; Olivares, J.; Drummond, R.; Lustig, S.

    1990-01-01

    The main goal of the present work was the elucidation of the mechanistic characteristics of dynamic transport of various penetrants (solvents) in thin sections of coals by examining their penetrant uptake, front swelling and stress development. An important objective of this work was the study of coal network structure in different thermodynamically compatible penetrants and the analysis of dynamic swelling in terms of present anomalous transport theories. Interferometry/polariscopy, surface image analysis and related techniques were used to quantify the stresses and solvent concentration profiles in these sections. Dynamic and equilibrium swelling behavior were correlated using the polar interaction contributions of the solvent solubility parameters. The penetrant front position was followed in thin coal sections as a function of time. The initial front velocity was calculated for various coals and penetrants. Our penetrant studies with thin coal section from the same coal sample but with different thickness show that within the range of 150 {mu}m to 1500{mu}m the transport mechanism of dimethyl formamide in the macromolecular coal network is non-Fickian. In fact, for the thickest samples the transport mechanism is predominately Case-II whereas in the thinner samples penetrant uptake may be diffusion-controlled. Studies in various penetrants such as acetone, cyclohexane, methanol, methyl ethyl ketone, toluene and methylene chloride indicated that penetrant transport is a non-Fickian phenomenon. Stresses and cracks were observed for transport of methylene chloride. 73 refs., 88 figs., 15 tabs.

  9. Mechanical Design

    SciTech Connect (OSTI)

    Shook, Richard; /Marquette U. /SLAC

    2010-08-25

    The particle beam of the SXR (soft x-ray) beam line in the LCLS (Linac Coherent Light Source) has a high intensity in order to penetrate through samples at the atomic level. However, the intensity is so high that many experiments fail because of severe damage. To correct this issue, attenuators are put into the beam line to reduce this intensity to a level suitable for experimentation. Attenuation is defined as 'the gradual loss in intensity of any flux through a medium' by [1]. It is found that Beryllium and Boron Carbide can survive the intensity of the beam. At very thin films, both of these materials work very well as filters for reducing the beam intensity. Using a total of 12 filters, the first 9 being made of Beryllium and the rest made of Boron Carbide, the beam's energy range of photons can be attenuated between 800 eV and 9000 eV. The design of the filters allows attenuation for different beam intensities so that experiments can obtain different intensities from the beam if desired. The step of attenuation varies, but is relative to the thickness of the filter as a power function of 2. A relationship for this is f(n) = x{sub 0}2{sup n} where n is the step of attenuation desired and x{sub 0} is the initial thickness of the material. To allow for this desired variation, a mechanism must be designed within the test chamber. This is visualized using a 3D computer aided design modeling tool known as Solid Edge.

  10. Oxygen diffusion of anodic surface oxide film on titanium studied by Auger electron spectroscopy. [Oxygen diffusivity

    SciTech Connect (OSTI)

    Wang, P.S.; Wittberg, T.N.; Keil, R.G.

    1982-01-01

    TiO/sub 2/ films of about 1000 A were grown onto titanium foils anodically under galvanostatic conditions at 20 mA/cm/sup 2/ in saturated aqueous solutions of ammonium tetraborate. The samples were then aged at 450, 500, and 550/sup 0/C, and oxygen diffusion was observed by Auger electron spectroscopy (AES) profilings. The oxygen diffusivities were calculated by Fick's Second Law, using the Boltzmann-Matano solution, to be 9.4 x 10/sup -17/, 2.6 x 10/sup -16/, and 1.2 x 10/sup -15/ cm/sup 2//sec at 450, 500, and 550/sup 0/C, respectively. The diffusivities obtained by this method were also compared with those obtained using an exact solution to Fick's Second Law. The activation energy was calculated to be 30 kcal/mole.

  11. Resolving and measuring diffusion in complex interfaces: Exploring new capabilities

    SciTech Connect (OSTI)

    Alam, Todd M.

    2015-09-01

    This exploratory LDRD targeted the use of a new high resolution spectroscopic diffusion capabilities developed at Sandia to resolve transport processes at interfaces in heterogeneous polymer materials. In particular, the combination of high resolution magic angle spinning (HRMAS) nuclear magnetic resonance (NMR) spectroscopy with pulsed field gradient (PFG) diffusion experiments were used to directly explore interface diffusion within heterogeneous polymer composites, including measuring diffusion for individual chemical species in multi-component mixtures. Several different types of heterogeneous polymer systems were studied using these HRMAS NMR diffusion capabilities to probe the resolution limitations, determine the spatial length scales involved, and explore the general applicability to specific heterogeneous systems. The investigations pursued included a) the direct measurement of the diffusion for poly(dimethyl siloxane) polymer (PDMS) on nano-porous materials, b) measurement of penetrant diffusion in additive manufactures (3D printed) processed PDMS composites, and c) the measurement of diffusion in swollen polymers/penetrant mixtures within nano-confined aluminum oxide membranes. The NMR diffusion results obtained were encouraging and allowed for an improved understanding of diffusion and transport processes at the molecular level, while at the same time demonstrating that the spatial heterogeneity that can be resolved using HRMAS NMR PFG diffusion experiment must be larger than ~μm length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.

  12. The diffuse galactic far-ultraviolet sky

    SciTech Connect (OSTI)

    Hamden, Erika T.; Schiminovich, David; Seibert, Mark

    2013-12-20

    We present an all-sky map of the diffuse Galactic far ultraviolet (1344-1786 Å) background using Galaxy Evolution Explorer data, covering 65% of the sky with 11.79 arcmin{sup 2} pixels. We investigate the dependence of the background on Galactic coordinates, finding that a standard cosecant model of intensity is not a valid fit. Furthermore, we compare our map to Galactic all-sky maps of 100 μm emission, N {sub H} {sub I} column, and Hα intensity. We measure a consistent low level far-UV (FUV) intensity at zero points for other Galactic quantities, indicating a 300 photons cm{sup –2} s{sup –1} sr{sup –1} Å{sup –1} non-scattered isotropic component to the diffuse FUV. There is also a linear relationship between FUV and 100 μm emission below 100 μm values of 8 MJy sr{sup –1}. We find a similar linear relationship between FUV and N {sub H} {sub I} below 10{sup 21} cm{sup –2}. The relationship between FUV and Hα intensity has no such constant cutoff. For all Galactic quantities, the slope of the linear portion of the relationship decreases with Galactic latitude. A modified cosecant model, taking into account dust scattering asymmetry and albedo, is able to accurately fit the diffuse FUV at latitudes above 20°. The best fit model indicates an albedo, a, of 0.62 ± 0.04 and a scattering asymmetry function, g, of 0.78 ± 0.05. Deviations from the model fit may indicate regions of excess FUV emission from fluorescence or shock fronts, while low latitude regions with depressed FUV emission are likely the result of self-shielding dusty clouds.

  13. Heavy Mobile Equipment Mechanic (One Mechanic Shop)

    Broader source: Energy.gov [DOE]

    Join the Bonneville Power Administration (BPA) for a challenging and rewarding career, while working, living, and playing in the Pacific Northwest. The Heavy Mobile Equipment Mechanic (One Mechanic...

  14. Enhanced quality thin film Cu(In,Ga)Se[sub 2] for semiconductor device applications by vapor-phase recrystallization

    DOE Patents [OSTI]

    Tuttle, J.R.; Contreras, M.A.; Noufi, R.; Albin, D.S.

    1994-10-18

    Enhanced quality thin films of Cu[sub w](In,Ga[sub y])Se[sub z] for semiconductor device applications are fabricated by initially forming a Cu-rich, phase-separated compound mixture comprising Cu(In,Ga):Cu[sub x]Se on a substrate to form a large-grain precursor and then converting the excess Cu[sub x]Se to Cu(In,Ga)Se[sub 2] by exposing it to an activity of In and/or Ga, either in vapor In and/or Ga form or in solid (In,Ga)[sub y]Se[sub z]. Alternatively, the conversion can be made by sequential deposition of In and/or Ga and Se onto the phase-separated precursor. The conversion process is preferably performed in the temperature range of about 300--600 C, where the Cu(In,Ga)Se[sub 2] remains solid, while the excess Cu[sub x]Se is in a liquid flux. The characteristic of the resulting Cu[sub w](In,Ga)[sub y]Se[sub z] can be controlled by the temperature. Higher temperatures, such as 500--600 C, result in a nearly stoichiometric Cu(In,Ga)Se[sub 2], whereas lower temperatures, such as 300--400 C, result in a more Cu-poor compound, such as the Cu[sub z](In,Ga)[sub 4]Se[sub 7] phase. 7 figs.

  15. Enhanced quality thin film Cu(In,Ga)Se.sub.2 for semiconductor device applications by vapor-phase recrystallization

    DOE Patents [OSTI]

    Tuttle, John R.; Contreras, Miguel A.; Noufi, Rommel; Albin, David S.

    1994-01-01

    Enhanced quality thin films of Cu.sub.w (In,Ga.sub.y)Se.sub.z for semiconductor device applications are fabricated by initially forming a Cu-rich, phase-separated compound mixture comprising Cu(In,Ga):Cu.sub.x Se on a substrate to form a large-grain precursor and then converting the excess Cu.sub.x Se to Cu(In,Ga)Se.sub.2 by exposing it to an activity of In and/or Ga, either in vapor In and/or Ga form or in solid (In,Ga).sub.y Se.sub.z. Alternatively, the conversion can be made by sequential deposition of In and/or Ga and Se onto the phase-separated precursor. The conversion process is preferably performed in the temperature range of about 300.degree.-600.degree. C., where the Cu(In,Ga)Se.sub.2 remains solid, while the excess Cu.sub.x Se is in a liquid flux. The characteristic of the resulting Cu.sub.w (In,Ga).sub.y Se.sub.z can be controlled by the temperature. Higher temperatures, such as 500.degree.-600.degree. C., result in a nearly stoichiometric Cu(In,Ga)Se.sub.2, whereas lower temperatures, such as 300.degree.-400.degree. C., result in a more Cu-poor compound, such as the Cu.sub.z (In,Ga).sub.4 Se.sub.7 phase.

  16. Method and apparatus for maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Farthing, William Earl [Pinson, AL; Felix, Larry Gordon [Pelham, AL; Snyder, Todd Robert [Birmingham, AL

    2008-02-12

    An apparatus and method for diluting and cooling that is extracted from high temperature and/or high pressure industrial processes. Through a feedback process, a specialized, CFD-modeled dilution cooler is employed along with real-time estimations of the point at which condensation will occur within the dilution cooler to define a level of dilution and diluted gas temperature that results in a gas that can be conveyed to standard gas analyzers that contains no condensed hydrocarbon compounds or condensed moisture.

  17. Apparatus and method for maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Felix, Larry Gordon; Farthing, William Earl; Irvin, James Hodges; Snyder, Todd Robert

    2010-05-11

    A dilution apparatus for diluting a gas sample. The apparatus includes a sample gas conduit having a sample gas inlet end and a diluted sample gas outlet end, and a sample gas flow restricting orifice disposed proximate the sample gas inlet end connected with the sample gas conduit and providing fluid communication between the exterior and the interior of the sample gas conduit. A diluted sample gas conduit is provided within the sample gas conduit having a mixing end with a mixing space inlet opening disposed proximate the sample gas inlet end, thereby forming an annular space between the sample gas conduit and the diluted sample gas conduit. The mixing end of the diluted sample gas conduit is disposed at a distance from the sample gas flow restricting orifice. A dilution gas source connected with the sample gas inlet end of the sample gas conduit is provided for introducing a dilution gas into the annular space, and a filter is provided for filtering the sample gas. The apparatus is particularly suited for diluting heated sample gases containing one or more condensable components.

  18. Method and apparatus for maintaining condensable constituents of a gas in a vapor phase during sample transport

    DOE Patents [OSTI]

    Felix, Larry Gordon; Farthing, William Earl; Irvin, James Hodges; Snyder, Todd Robert

    2010-05-18

    A system for fluid transport at elevated temperatures having a conduit having a fluid inlet end and a fluid outlet end and at least one heating element disposed within the conduit providing direct heating of a fluid flowing through the conduit. The system is particularly suited for preventing condensable constituents of a high temperature fluid from condensing out of the fluid prior to analysis of the fluid. In addition, operation of the system so as to prevent the condensable constituents from condensing out of the fluid surprisingly does not alter the composition of the fluid.

  19. Method and apparatus maintaining multi-component sample gas constituents in vapor phase during sample extraction and cooling

    DOE Patents [OSTI]

    Farthing, William Earl; Felix, Larry Gordon; Snyder, Todd Robert

    2009-12-15

    An apparatus and method for diluting and cooling that is extracted from high temperature and/or high pressure industrial processes. Through a feedback process, a specialized, CFD-modeled dilution cooler is employed along with real-time estimations of the point at which condensation will occur within the dilution cooler to define a level of dilution and diluted gas temperature that results in a gas that can be conveyed to standard gas analyzers that contains no condensed hydrocarbon compounds or condensed moisture.

  20. Distributed Wind Diffusion Model Overview (Presentation)

    SciTech Connect (OSTI)

    Preus, R.; Drury, E.; Sigrin, B.; Gleason, M.

    2014-07-01

    Distributed wind market demand is driven by current and future wind price and performance, along with several non-price market factors like financing terms, retail electricity rates and rate structures, future wind incentives, and others. We developed a new distributed wind technology diffusion model for the contiguous United States that combines hourly wind speed data at 200m resolution with high resolution electricity load data for various consumer segments (e.g., residential, commercial, industrial), electricity rates and rate structures for utility service territories, incentive data, and high resolution tree cover. The model first calculates the economics of distributed wind at high spatial resolution for each market segment, and then uses a Bass diffusion framework to estimate the evolution of market demand over time. The model provides a fundamental new tool for characterizing how distributed wind market potential could be impacted by a range of future conditions, such as electricity price escalations, improvements in wind generator performance and installed cost, and new financing structures. This paper describes model methodology and presents sample results for distributed wind market potential in the contiguous U.S. through 2050.

  1. Alpha particles diffusion due to charge changes

    SciTech Connect (OSTI)

    Clauser, C. F. Farengo, R.

    2015-12-15

    Alpha particles diffusion due to charge changes in a magnetized plasma is studied. Analytical calculations and numerical simulations are employed to show that this process can be very important in the pedestal-edge-SOL regions. This is the first study that presents clear evidence of the importance of atomic processes on the diffusion of alpha particles. A simple 1D model that includes inelastic collisions with plasma species, “cold” neutrals, and partially ionized species was employed. The code, which follows the exact particle orbits and includes the effect of inelastic collisions via a Monte Carlo type random process, runs on a graphic processor unit (GPU). The analytical and numerical results show excellent agreement when a uniform background (plasma and cold species) is assumed. The simulations also show that the gradients in the density of the plasma and cold species, which are large and opposite in the edge region, produce an inward flux of alpha particles. Calculations of the alpha particles flux reaching the walls or divertor plates should include these processes.

  2. Diffusion in biofilms respiring on electrodes

    SciTech Connect (OSTI)

    Renslow, Ryan S.; Babauta, Jerome T.; Majors, Paul D.; Beyenal, Haluk

    2012-11-15

    The goal of this study was to measure spatially and temporally resolved effective diffusion coefficients (De) in biofilms respiring on electrodes. Two model electrochemically active biofilms, Geobacter sulfurreducens PCA and Shewanella oneidensis MR-1, were investigated. A novel nuclear magnetic resonance microimaging perfusion probe capable of simultaneous electrochemical and pulsed-field gradient nuclear magnetic resonance (PFG-NMR) techniques was used. PFG-NMR allowed for noninvasive, nondestructive, high spatial resolution in situ De measurements in living biofilms respiring on electrodes. The electrodes were polarized so that they would act as the sole terminal electron acceptor for microbial metabolism. We present our results as both two-dimensional De heat maps and surface-averaged relative effective diffusion coefficient (Drs) depth profiles. We found that (1) Drs decreases with depth in G. sulfurreducens biofilms, following a sigmoid shape; (2) Drs at a given location decreases with G. sulfurreducens biofilm age; (3) average De and Drs profiles in G. sulfurreducens biofilms are lower than those in S. oneidensis biofilms—the G. sulfurreducens biofilms studied here were on average 10 times denser than the S. oneidensis biofilms; and (4) halting the respiration of a G. sulfurreducens biofilm decreases the De values. Density, reflected by De, plays a major role in the extracellular electron transfer strategies of electrochemically active biofilms.

  3. Reaction and diffusion in turbulent combustion

    SciTech Connect (OSTI)

    Pope, S.B.

    1993-12-01

    The motivation for this project is the need to obtain a better quantitative understanding of the technologically-important phenomenon of turbulent combustion. In nearly all applications in which fuel is burned-for example, fossil-fuel power plants, furnaces, gas-turbines and internal-combustion engines-the combustion takes place in a turbulent flow. Designers continually demand more quantitative information about this phenomenon-in the form of turbulent combustion models-so that they can design equipment with increased efficiency and decreased environmental impact. For some time the PI has been developing a class of turbulent combustion models known as PDF methods. These methods have the important virtue that both convection and reaction can be treated without turbulence-modelling assumptions. However, a mixing model is required to account for the effects of molecular diffusion. Currently, the available mixing models are known to have some significant defects. The major motivation of the project is to seek a better understanding of molecular diffusion in turbulent reactive flows, and hence to develop a better mixing model.

  4. Creep damage mechanisms in composites

    SciTech Connect (OSTI)

    Nutt, S.R.

    1994-10-17

    During the past year, research has focused on processing and characterization of intermetallic composites synthesized by plasma spray deposition. This versatile process allows rapid synthesis of a variety of different composite systems with potential applications for coatings, functionally gradient materials, rapid proto-typing and 3d printing, as well as near-net-shape processing of complex shapes. We have been pursuing an experimental program of research aimed at a fundamental understanding of the microstructural processes involved in the synthesis of intermetallic composites, including diffusion, heat transfer, grain boundary migration, and the dependence of these phenomena on deposition parameters. The work has been motivated by issues arising from composite materials manufacturing technologies. Recent progress is described in section B on the following topics: (1) Reactive atomization and deposition of intermetallic composites (Ni3Al); (2) Reactive synthesis of MoSi2-SiC composites; (3) Mechanical alloying of nanocrystalline alloys; (4) Tensile creep deformation of BMAS glass-ceramic composites.

  5. A stochastic mechanism of electron heating

    SciTech Connect (OSTI)

    Galinsky, V. L.; Shevchenko, V. I.

    2012-08-15

    Due to Landau resonant interaction with lower hybrid waves in the lower hybrid current drive scheme part of electrons are accelerated and, as a result of this, a tail of energetic electrons is formed on the electron distribution function. The same situation takes place in the problem of type III radio bursts when the suprathermal burst electrons acquire a plateau distribution due to excitation of plasma waves in the solar wind plasma. These distributions are unstable with respect to the cyclotron excitation of waves at anomalous Doppler resonance ('fan' instability). In this case, the tail electrons interact simultaneously with both (i) waves that accelerate or decelerate them (Cerenkov resonance) and (ii) waves excited in the process of the fan instability that led to their pitch angle diffusion. Because velocity diffusion lines of electrons formed due to heir interaction with each type of waves intersect, this interaction can lead not only to pitch angle diffusion but also to heating of electrons mainly in perpendicular direction. We investigated this mechanism of electron heating and studied the temporal evolution of the electron temperature and the energy of excited waves. Our results show significant enhancement of the electron perpendicular temperature T{sub Up-Tack} due to this stochastic heating mechanism.

  6. Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kulkarni, Nagraj S.; Bruce Warmack, Robert J.; Radhakrishnan, Bala; Hunter, Jerry L.; Sohn, Yongho; Coffey, Kevin R.; Murch, Graeme E.; Belova, Irina V.

    2014-09-23

    Tracer diffusivities provide the most fundamental information on diffusion in materials and are the foundation of robust diffusion databases. Compared to traditional radiotracer techniques that utilize radioactive isotopes, the secondary ion mass spectrometry (SIMS) based thin-film technique for tracer diffusion is based on the use of enriched stable isotopes that can be accurately profiled using SIMS. Experimental procedures & techniques that are utilized for the measurement of tracer diffusion coefficients are presented for pure magnesium, which presents some unique challenges due to the ease of oxidation. The development of a modified Shewmon-Rhines diffusion capsule for annealing Mg and an ultra-highmore » vacuum (UHV) system for sputter deposition of Mg isotopes are discussed. Optimized conditions for accurate SIMS depth profiling in polycrystalline Mg are provided. An automated procedure for the correction of heat-up and cool-down times during tracer diffusion annealing is discussed. The non-linear fitting of a SIMS depth profile data using the thin film Gaussian solution to obtain the tracer diffusivity along with the background tracer concentration and tracer film thickness is discussed. An Arrhenius fit of the Mg self-diffusion data obtained using the low-temperature SIMS measurements from this study and the high-temperature radiotracer measurements of Shewmon and Rhines (1954) was found to be a good representation of both types of diffusion data that cover a broad range of temperatures between 250 - 627° C (523 900 K).« less

  7. Overview of SIMS-Based Experimental Studies of Tracer Diffusion in Solids and Application to Mg Self-Diffusion

    SciTech Connect (OSTI)

    Kulkarni, Nagraj S.; Bruce Warmack, Robert J.; Radhakrishnan, Bala; Hunter, Jerry L.; Sohn, Yongho; Coffey, Kevin R.; Murch, Graeme E.; Belova, Irina V.

    2014-09-23

    Tracer diffusivities provide the most fundamental information on diffusion in materials and are the foundation of robust diffusion databases. Compared to traditional radiotracer techniques that utilize radioactive isotopes, the secondary ion mass spectrometry (SIMS) based thin-film technique for tracer diffusion is based on the use of enriched stable isotopes that can be accurately profiled using SIMS. Experimental procedures & techniques that are utilized for the measurement of tracer diffusion coefficients are presented for pure magnesium, which presents some unique challenges due to the ease of oxidation. The development of a modified Shewmon-Rhines diffusion capsule for annealing Mg and an ultra-high vacuum (UHV) system for sputter deposition of Mg isotopes are discussed. Optimized conditions for accurate SIMS depth profiling in polycrystalline Mg are provided. An automated procedure for the correction of heat-up and cool-down times during tracer diffusion annealing is discussed. The non-linear fitting of a SIMS depth profile data using the thin film Gaussian solution to obtain the tracer diffusivity along with the background tracer concentration and tracer film thickness is discussed. An Arrhenius fit of the Mg self-diffusion data obtained using the low-temperature SIMS measurements from this study and the high-temperature radiotracer measurements of Shewmon and Rhines (1954) was found to be a good representation of both types of diffusion data that cover a broad range of temperatures between 250 - 627° C (523 900 K).

  8. Narrow groove welding gas diffuser assembly and welding torch

    DOE Patents [OSTI]

    Rooney, Stephen J.

    2001-01-01

    A diffuser assembly is provided for narrow groove welding using an automatic gas tungsten arc welding torch. The diffuser assembly includes a manifold adapted for adjustable mounting on the welding torch which is received in a central opening in the manifold. Laterally extending manifold sections communicate with a shield gas inlet such that shield gas supplied to the inlet passes to gas passages of the manifold sections. First and second tapered diffusers are respectively connected to the manifold sections in fluid communication with the gas passages thereof. The diffusers extend downwardly along the torch electrode on opposite sides thereof so as to release shield gas along the length of the electrode and at the distal tip of the electrode. The diffusers are of a transverse width which is on the order of the thickness of the electrode so that the diffusers can, in use, be inserted into a narrow welding groove before and after the electrode in the direction of the weld operation.

  9. Fracture-Flow-Enhanced Solute Diffusion into Fractured Rock

    SciTech Connect (OSTI)

    Wu, Yu-Shu; Ye, Ming; Sudicky, E.A.

    2007-12-15

    We propose a new conceptual model of fracture-flow-enhanced matrix diffusion, which correlates with fracture-flow velocity, i.e., matrix diffusion enhancement induced by rapid fluid flow within fractures. According to the boundary-layer or film theory, fracture flow enhanced matrix diffusion may dominate mass-transfer processes at fracture-matrix interfaces, because rapid flow along fractures results in large velocity and concentration gradients at and near fracture-matrix interfaces, enhancing matrix diffusion at matrix surfaces. In this paper, we present a new formulation of the conceptual model for enhanced fracture-matrix diffusion, and its implementation is discussed using existing analytical solutions and numerical models. In addition, we use the enhanced matrix diffusion concept to analyze laboratory experimental results from nonreactive and reactive tracer breakthrough tests, in an effort to validate the new conceptual model.

  10. Control of light diffusion in a disordered photonic waveguide

    SciTech Connect (OSTI)

    Sarma, Raktim; Cao, Hui; Golubev, Timofey; Yamilov, Alexey

    2014-07-28

    We control the diffusion of light in a disordered photonic waveguide by modulating the waveguide geometry. In a single waveguide of varying cross-section, the diffusion coefficient changes spatially in two dimensions due to localization effects. The intensity distribution inside the waveguide agrees with the prediction of the self-consistent theory of localization. Our work shows that wave diffusion can be efficiently manipulated without modifying the structural disorder.

  11. Non-Destructive Analysis Calibration Standards for Gaseous Diffusion Plant

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    (GDP) Decommissioning | Department of Energy Non-Destructive Analysis Calibration Standards for Gaseous Diffusion Plant (GDP) Decommissioning Non-Destructive Analysis Calibration Standards for Gaseous Diffusion Plant (GDP) Decommissioning The decommissioning of Gaseous Diffusion Plant facilities requires accurate, non-destructive assay (NDA) of residual enriched uranium in facility components for safeguards and nuclear criticality safety purposes. Current practices used to perform NDA

  12. EA-1927: Paducah Gaseous Diffusion Plant Potential Land and Facilities

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Transfers; McCracken County, Kentucky | Department of Energy 27: Paducah Gaseous Diffusion Plant Potential Land and Facilities Transfers; McCracken County, Kentucky EA-1927: Paducah Gaseous Diffusion Plant Potential Land and Facilities Transfers; McCracken County, Kentucky SUMMARY DOE's Portsmouth/Paducah Project Office prepared an EA that assesses the potential environmental impacts of the proposed transfer of land and facilities at the Paducah Gaseous Diffusion Plant from DOE to other

  13. DOE Issues Final Request for Proposal for Portsmouth Gaseous Diffusion

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Plant Support Services | Department of Energy Portsmouth Gaseous Diffusion Plant Support Services DOE Issues Final Request for Proposal for Portsmouth Gaseous Diffusion Plant Support Services December 9, 2014 - 3:37pm Addthis Media Contact Lynette Chafin, 513-246-0461, Lynette.Chafin@emcbc.doe.gov Cincinnati -- The U.S. Department of Energy today issued a Final Request for Proposal (RFP), for the continued performance of infrastructure support services at the Portsmouth Gaseous Diffusion

  14. DOE Seeks Proposals for Portsmouth Gaseous Diffusion Plant Technical

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Services Contract | Department of Energy Proposals for Portsmouth Gaseous Diffusion Plant Technical Services Contract DOE Seeks Proposals for Portsmouth Gaseous Diffusion Plant Technical Services Contract June 19, 2012 - 12:00pm Addthis Media Contact Bill Taylor bill.taylor@srs.gov 803-952-8564 Cincinnati - The Department of Energy today issued a Draft Request for Proposals (RFP) for an Environmental Technical Services acquisition at the Portsmouth Gaseous Diffusion Plant near Piketon, Ohio.

  15. FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION AND DIFFUSION

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    STUDIES II - STATE ENERGY STRATEGIES (SEEDSII-SES) | Department of Energy FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION AND DIFFUSION STUDIES II - STATE ENERGY STRATEGIES (SEEDSII-SES) FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION AND DIFFUSION STUDIES II - STATE ENERGY STRATEGIES (SEEDSII-SES) FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION AND DIFFUSION STUDIES II - STATE ENERGY STRATEGIES (SEEDSII-SES) FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION

  16. Hydrogen trapping, diffusion, and recombination in austenitic stainless steels

    SciTech Connect (OSTI)

    Langley, R.A.

    1984-01-01

    Trapping, diffusion, and recombination of hydrogen in austenitic stainless steels are reviewed. It is suggested that since all of these processes are strongly interdependent and since the measured recombination rates are found to vary four orders of magnitude at any temperature, the data analysis techniques used to date are insufficient. A two-region diffusion model with surface recombination is proposed in which the surface layer is characterized by a smaller diffusion coefficient than the bulk.

  17. DOE - Office of Legacy Management -- Paducah Gaseous Diffusion Plant - KY

    Office of Legacy Management (LM)

    01 Paducah Gaseous Diffusion Plant - KY 01 Site ID (CSD Index Number): KY.01 Site Name: Paducah Gaseous Diffusion Plant Site Summary: Site Link: http://energy.gov/pppo/paducah-site External Site Link: Alternate Name(s): Paducah Gaseous Diffusion Plant Alternate Name Documents: Location: Paducah, Kentucky Location Documents: Historical Operations (describe contaminants): Historical Operations Documents: Eligibility Determination: Owned by the U.S. Department of Energy (DOE). DOE oversees

  18. DOE Seeks Deactivation Contractor for Paducah Gaseous Diffusion Plant |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Deactivation Contractor for Paducah Gaseous Diffusion Plant DOE Seeks Deactivation Contractor for Paducah Gaseous Diffusion Plant August 9, 2013 - 5:30pm Addthis Media Contact Bill Taylor, 803-952-8564 bill.taylor@srs.gov Cincinnati - The U.S. Department of Energy (DOE) today issued a Request for Task Proposal (RTP) for deactivation activities at the Paducah Gaseous Diffusion Plant (GDP) in Paducah, Kentucky. These services are required so that DOE can address the return

  19. DOE Seeks Quotes for Paducah Gaseous Diffusion Plant Environmental

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Technical Services | Department of Energy Quotes for Paducah Gaseous Diffusion Plant Environmental Technical Services DOE Seeks Quotes for Paducah Gaseous Diffusion Plant Environmental Technical Services August 13, 2012 - 12:00pm Addthis Media Contact Bill Taylor Bill.Taylor@srs.gov 803-952-8564 Cincinnati- The Department of Energy (DOE) today issued a Request for Quotation (RFQ) for an Environmental Technical Services acquisition at the Paducah Gaseous Diffusion Plant (GDP) for the

  20. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - April

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    2013 | Department of Energy Portsmouth Gaseous Diffusion Plant - April 2013 Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - April 2013 April 2013 Review of the Integrated Safety Management System Phase I Verification Review at the Portsmouth Gaseous Diffusion Plant The Office of Enforcement and Oversight (Independent Oversight), within the Office of Health, Safety and Security (HSS), conducted an independent review of the U.S. Department of Energy (DOE) Portsmouth/Paducah

  1. Experiments on a ceramic electrolysis cell and a palladium diffuser...

    Office of Scientific and Technical Information (OSTI)

    on a ceramic electrolysis cell and a palladium diffuser at the tritium systems test assembly Citation Details In-Document Search Title: Experiments on a ceramic...

  2. Numerical Modeling Studies of The Dissolution-Diffusion-Convection...

    Office of Scientific and Technical Information (OSTI)

    Numerical Modeling Studies of The Dissolution-Diffusion-Convection ProcessDuring CO2 Storage in Saline Aquifers Citation Details In-Document Search Title: Numerical Modeling ...

  3. Vapor Barriers or Vapor Diffusion Retarders | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Moisture Control Vapor Barriers or Vapor Diffusion Retarders Vapor Barriers or Vapor ... can be part of an overall moisture control strategy for your home. | Photo courtesy ...

  4. Test Program for High Efficiency Gas Turbine Exhaust Diffuser...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Test Program for High Efficiency Gas Turbine Exhaust Diffuser Citation Details In-Document Search Title: Test Program for High Efficiency Gas Turbine Exhaust ...

  5. Binary and ternary gas mixtures with temperature enhanced diffuse...

    Office of Scientific and Technical Information (OSTI)

    Binary and ternary gas mixtures with temperature enhanced diffuse glow discharge characteristics for use in closing switches Title: Binary and ternary gas mixtures with temperature ...

  6. Big Data Projects on Solar Technology Evolution and Diffusion...

    Energy Savers [EERE]

    Soft Costs Big Data Projects on Solar Technology Evolution and Diffusion: Kickoff Meeting ... Graphic showing a web of people with energy bolts connecting them. Through the SEEDS ...

  7. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes...

    Office of Scientific and Technical Information (OSTI)

    Title: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics Authors: Ong, M T ; Verners, O ; Draeger, E ...

  8. Model-Independent Characterization of Charge Diffusion in Thick...

    Office of Scientific and Technical Information (OSTI)

    absorption length is smaller than the silicon thickness and the diffusion scale is of ... ELECTRIC FIELDS; PHOTONS; PROBABILITY; SILICON; THICKNESS; TRANSPORT Word Cloud More ...

  9. Covariant functional diffusion equation for Polyakov's bosonic string

    SciTech Connect (OSTI)

    Botelho, L. C. L.

    1989-07-15

    I write a covariant functional diffusion equation for Polyakov's bosonic string with the string's world-sheet area playing the role of proper time.

  10. Low cost fuel cell diffusion layer configured for optimized anode...

    Office of Scientific and Technical Information (OSTI)

    for optimized anode water management Citation Details In-Document Search Title: Low cost fuel cell diffusion layer configured for optimized anode water management A fuel cell ...

  11. Diffusion coefficient of three-dimensional Yukawa liquids

    SciTech Connect (OSTI)

    Dzhumagulova, K. N.; Ramazanov, T. S.; Masheeva, R. U.

    2013-11-15

    The purpose of this work is an investigation of the diffusion coefficient of the dust component in complex plasma. The computer simulation of the Yukawa liquids was made on the basis of the Langevin equation, which takes into account the influence of buffer plasma on the dust particles dynamics. The GreenKubo relation was used to calculate the diffusion coefficient. Calculations of the diffusion coefficient for a wide range of the system parameters were performed. Using obtained numerical data, we constructed the interpolation formula for the diffusion coefficient. We also show that the interpolation formula correctly describes experimental data obtained under microgravity conditions.

  12. Optical processing furnace with quartz muffle and diffuser plate

    DOE Patents [OSTI]

    Sopori, Bhushan L.

    1995-01-01

    An optical furnace for annealing a process wafer comprising a source of optical energy, a quartz muffle having a door to hold the wafer for processing, and a quartz diffuser plate to diffuse the light impinging on the quartz muffle; a feedback system with a light sensor located in the door or wall of the muffle is also provided for controlling the source of optical energy. The quartz for the diffuser plate is surface etched (to give the quartz diffusive qualities) in the furnace during a high intensity burn-in process.

  13. A coupling strategy for nonlocal and local diffusion models with...

    Office of Scientific and Technical Information (OSTI)

    Subject: 97 MATHEMATICS AND COMPUTING nonlocal models; coupling method; optimization; nonlocal vector calculus; mixed boundary conditions; nonlocal diffusion Word Cloud More Like ...

  14. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes...

    Office of Scientific and Technical Information (OSTI)

    in Bulk Organic Electrolytes from First Principles Molecular Dynamics Citation Details In-Document Search Title: Lithium Ion Solvation and Diffusion in Bulk Organic ...

  15. Adsorption and diffusion of Ru adatoms on Ru(0001)-supported...

    Office of Scientific and Technical Information (OSTI)

    Accepted Manuscript: Adsorption and diffusion of Ru adatoms on Ru(0001)-supported graphene: Large-scale first-principles calculations This content will become publicly available on...

  16. Adsorption and diffusion in zeolites: the pitfall of isotypic...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Adsorption and diffusion in zeolites: the pitfall of isotypic crystal structures Previous Next List Nils E.R. Zimmermann, Maciej Haranczyk, Manju Sharma, Bei Liu, Berend Smit &...

  17. Thermal conductivity and diffusion-mediated localization in Fe1...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Thermal conductivity and diffusion-mediated localization in Fe1-xCrx alloys from first principles Citation Details In-Document Search Title: Thermal conductivity ...

  18. HILO: Quasi Diffusion Accelerated Monte Carlo on Hybrid Architectures

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    fidelity simulation of a diverse range of kinetic systems. Available for thumbnail of Feynman Center (505) 665-9090 Email HILO: Quasi Diffusion Accelerated Monte Carlo on Hybrid...

  19. Continuum modeling of diffusion and dispersion in dense granular...

    Office of Scientific and Technical Information (OSTI)

    Title: Continuum modeling of diffusion and dispersion in dense granular flows Authors: Christov, Ivan C 1 ; Stone, Howard A 2 + Show Author Affiliations Los Alamos National ...

  20. Strain effect on the adsorption, diffusion, and molecular dissociation...

    Office of Scientific and Technical Information (OSTI)

    Strain effect on the adsorption, diffusion, and molecular dissociation of hydrogen on Mg (0001) surface Citation Details In-Document Search Title: Strain effect on the adsorption,...

  1. Diffusion in confinement: kinetic simulations of self- and collective...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    confinement: kinetic simulations of self- and collective diffusion behavior of adsorbed gases Previous Next List M. K. F. Abouelnasr and B. Smit, PCCP 14 (33), 11600 (2012) DOI:...

  2. OSTIblog Articles in the gaseous diffusion Topic | OSTI, US Dept...

    Office of Scientific and Technical Information (OSTI)

    Related Topics: 70th Anniversary, atomic bomb, DOE Research & Development (R&D) Accomplishments, electromagnetic, gaseous diffusion, Manhattan Project, nuclear chain reaction, ...

  3. Nuclear magnetic resonance measurement of ammonia diffusion in...

    Office of Scientific and Technical Information (OSTI)

    Nuclear magnetic resonance measurement of ammonia diffusion in dense solid-liquid slurries. Revision 1 Citation Details In-Document Search Title: Nuclear magnetic resonance ...

  4. Uranium and Strontium Batch Sorption and Diffusion Kinetics into...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Uranium and Strontium Batch Sorption and Diffusion Kinetics into Mesoporous Silica Friday, ... and fate of radioactive material such as uranium (U) and strontium (Sr) in the environment ...

  5. The Digital Road to Scientific Knowledge Diffusion; A Faster...

    Office of Scientific and Technical Information (OSTI)

    The Digital Road to Scientific Knowledge Diffusion; A Faster, Better Way to Scientific Progress? Citation Details In-Document Search Title: The Digital Road to Scientific Knowledge ...

  6. Paducah Gaseous Diffusion Plant Draft Paducah Environmental Assessment...

    Broader source: Energy.gov (indexed) [DOE]

    Draft Environmental Assessment (EA) for Potential Land and Facilities Transfers at the Paducah Gaseous Diffusion Plant in McCracken County, Kentucky. DOE is inviting comments on...

  7. Extracting the diffusion tensor from molecular dynamics simulation with Milestoning

    SciTech Connect (OSTI)

    Mugnai, Mauro L.; Elber, Ron

    2015-01-07

    We propose an algorithm to extract the diffusion tensor from Molecular Dynamics simulations with Milestoning. A Kramers-Moyal expansion of a discrete master equation, which is the Markovian limit of the Milestoning theory, determines the diffusion tensor. To test the algorithm, we analyze overdamped Langevin trajectories and recover a multidimensional Fokker-Planck equation. The recovery process determines the flux through a mesh and estimates local kinetic parameters. Rate coefficients are converted to the derivatives of the potential of mean force and to coordinate dependent diffusion tensor. We illustrate the computation on simple models and on an atomically detailed system—the diffusion along the backbone torsions of a solvated alanine dipeptide.

  8. Diffusion-Reaction Modeling of Cu Migration in CdTe Solar Devices

    SciTech Connect (OSTI)

    Guo, Da; Brinkman, Daniel; Fang, Tian; Akis, Richard; Sankin, Igor; Vasileska, Dragica; Ringhofer, Christian

    2015-09-04

    In this work, we report on development of one-dimensional (1D) finite-difference and two-dimensional (2D) finite-element diffusion-reaction simulators to investigate mechanisms behind Cu-related metastabilities observed in CdTe solar cells [1]. The evolution of CdTe solar cells performance has been studied as a function of stress time in response to the evolution of associated acceptor and donor states. To achieve such capability, the simu-lators solve reaction-diffusion equations for the defect states in time-space domain self-consistently with the free carrier transport. Re-sults of 1-D and 2-D simulations have been compared to verify the accuracy of solutions.

  9. Importance of hydrophobic traps for proton diffusion in lyotropic liquid crystals

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    McDaniel, Jesse G.; Yethiraj, Arun

    2016-03-04

    The diffusion of protons in self-assembled systems is potentially important for the design of efficient proton exchange membranes. In this work, we study proton dynamics in a low-water content, lamellar phase of an sodium-carboxylate gemini surfactant/water system using computer simulations. The hopping of protons via the Grotthuss mechanism is explicity allowed through the multi-state empirical valence bond (MS-EVB) method. We find that the hydronium ion is trapped on the hydrophobic side of the surfactant-water interface, and proton diffusion then proceeds by hopping between surface sites. The importance of hydrophobic traps is surprising, because one would expect the hydronium ions tomore » be trapped at the charged head-groups. Finally, the physics illustrated in this system should be relevant to the proton dynamics in other amphiphilic membrane systems, whenever there exists exposed hydrophobic surface regions.« less

  10. Effect of exposure environment on surface decomposition of SiC-silver ion implantation diffusion couples

    SciTech Connect (OSTI)

    Gerczak, Tyler J.; Zheng, Guiqui; Field, Kevin G.; Allen, Todd R.

    2014-10-05

    SiC is a promising material for nuclear applications and is a critical component in the construction of tristructural isotropic (TRISO) fuel. A primary issue with TRISO fuel operation is the observed release of 110m Ag from intact fuel particles. The release of Ag has prompted research efforts to directly measure the transport mechanism of Ag in bulk SiC. Recent research efforts have focused primarily on Ag ion implantation designs. The effect of the thermal exposure system on the ion implantation surface has been investigated. Results indicate the utilization of a mated sample geometry and the establishment of a static thermal exposure environment is critical to maintaining an intact surface for diffusion analysis. In conclusion, the nature of the implantation surface and its potential role in Ag diffusion analysis are discussed.

  11. Effect of exposure environment on surface decomposition of SiC-silver ion implantation diffusion couples

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Gerczak, Tyler J.; Zheng, Guiqui; Field, Kevin G.; Allen, Todd R.

    2014-10-05

    SiC is a promising material for nuclear applications and is a critical component in the construction of tristructural isotropic (TRISO) fuel. A primary issue with TRISO fuel operation is the observed release of 110m Ag from intact fuel particles. The release of Ag has prompted research efforts to directly measure the transport mechanism of Ag in bulk SiC. Recent research efforts have focused primarily on Ag ion implantation designs. The effect of the thermal exposure system on the ion implantation surface has been investigated. Results indicate the utilization of a mated sample geometry and the establishment of a static thermalmore » exposure environment is critical to maintaining an intact surface for diffusion analysis. In conclusion, the nature of the implantation surface and its potential role in Ag diffusion analysis are discussed.« less

  12. Diffusion injected multi-quantum well light-emitting diode structure

    SciTech Connect (OSTI)

    Riuttanen, L. Nyknen, H.; Svensk, O.; Suihkonen, S.; Sopanen, M.; Kivisaari, P.; Oksanen, J.; Tulkki, J.

    2014-02-24

    The attention towards light-emitting diode (LED) structures based on nanowires, surface plasmon coupled LEDs, and large-area high-power LEDs has been increasing for their potential in increasing the optical output power and efficiency of LEDs. In this work we demonstrate an alternative way to inject charge carriers into the active region of an LED, which is based on completely different current transport mechanism compared to conventional current injection approaches. The demonstrated structure is expected to help overcoming some of the challenges related to current injection with conventional structures. A functioning III-nitride diffusion injected light-emitting diode structure, in which the light-emitting active region is located outside the pn-junction, is realized and characterized. In this device design, the charge carriers are injected into the active region by bipolar diffusion, which could also be utilized to excite otherwise challenging to realize light-emitting structures.

  13. Low cost fuel cell diffusion layer configured for optimized anode water management

    DOE Patents [OSTI]

    Owejan, Jon P; Nicotera, Paul D; Mench, Matthew M; Evans, Robert E

    2013-08-27

    A fuel cell comprises a cathode gas diffusion layer, a cathode catalyst layer, an anode gas diffusion layer, an anode catalyst layer and an electrolyte. The diffusion resistance of the anode gas diffusion layer when operated with anode fuel is higher than the diffusion resistance of the cathode gas diffusion layer. The anode gas diffusion layer may comprise filler particles having in-plane platelet geometries and be made of lower cost materials and manufacturing processes than currently available commercial carbon fiber substrates. The diffusion resistance difference between the anode gas diffusion layer and the cathode gas diffusion layer may allow for passive water balance control.

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

    SciTech Connect (OSTI)

    Neeway, James J.; Kerisit, Sebastien N.; Gin, Stephane; Wang, Zhaoying; Zhu, Zihua; Ryan, Joseph V.

    2014-12-01

    Ion exchange is recognized as an integral, if underrepresented, mechanism influencing glass corrosion. However, due to the formation of various alteration layers in the presence of water, it is difficult to conclusively deconvolute the mechanisms of ion exchange from other processes occurring simultaneously during corrosion. In this work, an operationally inert non-aqueous solution was used as an alkali source material to isolate ion exchange and study the solid-state diffusion of lithium. Specifically, the experiments involved contacting glass coupons relevant to the immobilization of high-level nuclear waste, SON68 and CJ-6, which contained Li in natural isotope abundance, with a non-aqueous solution of 6LiCl dissolved in dimethyl sulfoxide at 90 C for various time periods. The depth profiles of major elements in the glass coupons were measured using time-of-flight secondary ion mass spectrometry (ToF-SIMS). Lithium interdiffusion coefficients, DLi, were then calculated based on the measured depth profiles. The results indicate that the penetration of 6Li is rapid in both glasses with the simplified CJ-6 glass (D6Li ? 4.0-8.0 10-21 m2/s) exhibiting faster exchange than the more complex SON68 glass (DLi ? 2.0-4.0 10-21 m2/s). Additionally, sodium ions present in the glass were observed to participate in ion exchange reactions; however, different diffusion coefficients were necessary to fit the diffusion profiles of the two alkali ions. Implications of the diffusion coefficients obtained in the absence of alteration layers to the long-term performance of nuclear waste glasses in a geological repository system are also discussed.

  15. O and H diffusion in uraninite: Implications for fluid-uraninite interactions, nuclear waste disposal, and nuclear forensics

    SciTech Connect (OSTI)

    Fayek, Mostafa [University of Manitoba, Canada; Anovitz, Lawrence {Larry} M [ORNL; Cole, David [Ohio State University; Bostick, Debra A [ORNL

    2011-01-01

    Diffusion coefficients for oxygen and hydrogen were determined from a series of natural uraninite H2O experiments between 50 and 700 C. Under hydrous conditions there are two diffusion mechanisms: (1) an initial extremely fast-path diffusion mechanism that overprinted the oxygen isotopic composition of the entire crystals regardless of temperature and (2) a slower volume-diffusive mechanism dominated by defect clusters that displace or eject nearest neighbor oxygen atoms to form two interstitial sites and two partial vacancies, and by vacancy migration. Using the volume diffusion coefficients in the temperature range of 400 600 C, diffusion coefficients for oxygen can be represented by D = 1.90e5 exp (123,382 J/RT) cm2/s and for temperatures between 100 and 300 C the diffusion coefficients can be represented by D = 1.95e10 exp (62484 J/ RT) cm2/s, where the activation energies for uraninite are 123.4 and 62.5 kJ/mol, respectively. Hydrogen diffusion in uraninite appears to be controlled by similar mechanisms as oxygen. Using the volume diffusion coefficients for temperatures between 50 and 700 C, diffusion coefficients for hydrogen can be represented by D = 9.28e6 exp (156,528 J/RT) cm2/s for temperatures between 450 and 700 C and D = 1.39e14 exp (34518 J/RT) cm2/s for temperatures between 50 and 400 C, where the activation energies for uraninite are 156.5 and 34.5 kJ/mol, respectively. Results from these new experiments have implications for isotopic exchange during natural UO2 water interactions. The exceptionally low d18O values of natural uraninites (i.e. 32& to 19.5&) from unconformity-type uranium deposits in Saskatchewan, in conjunction with theoretical and experimental uraninite water and UO3 water fractionation factors, suggest that primary uranium mineralization is not in oxygen isotopic equilibrium with coeval clay and silicate minerals. The low d18O values have been interpreted as resulting from the low temperature overprinting of primary uranium

  16. Simulation of xenon, uranium vacancy and interstitial diffusion and grain boundary segregation in UO2

    SciTech Connect (OSTI)

    Andersson, Anders D.; Tonks, Michael R.; Casillas, Luis; Nerikar, Pankaj; Vyas, Shyam; Uberuaga, Blas P.; Stanek, Christopher R.

    2014-10-31

    In light water reactor fuel, gaseous fission products segregate to grain boundaries, resulting in the nucleation and growth of large intergranular fission gas bubbles. Based on the mechanisms established from density functional theory (DFT) and empirical potential calculations 1, continuum models for diffusion of xenon (Xe), uranium (U) vacancies and U interstitials in UO2 have been derived for both intrinsic conditions and under irradiation. Segregation of Xe to grain boundaries is described by combining the bulk diffusion model with a model for the interaction between Xe atoms and three different grain boundaries in UO2 ( Σ5 tilt, Σ5 twist and a high angle random boundary),as derived from atomistic calculations. All models are implemented in the MARMOT phase field code, which is used to calculate effective Xe and U diffusivities as well as redistribution for a few simple microstructures.

  17. Optical processing furnace with quartz muffle and diffuser plate

    DOE Patents [OSTI]

    Sopori, Bhushan L.

    1996-01-01

    An optical furnace for annealing a process wafer comprising a source of optical energy, a quartz muffle having a door to hold the wafer for processing, and a quartz diffuser plate to diffuse the light impinging on the quartz muffle; a feedback system with a light sensor located in the wall of the muffle is also provided for controlling the source of optical energy.

  18. Uranium and cesium diffusion in fuel cladding of electrogenerating channel

    SciTech Connect (OSTI)

    Vasil’ev, I. V. Ivanov, A. S.; Churin, V. A.

    2014-12-15

    The results of reactor tests of a carbonitride fuel in a single-crystal cladding from a molybdenum-based alloy can be used in substantiating the operational reliability of fuels in developing a project of a megawatt space nuclear power plant. The results of experimental studies of uranium and cesium penetration into the single-crystal cladding of fuel elements with a carbonitride fuel are interpreted. Those fuel elements passed nuclear power tests in the Ya-82 pilot plant for 8300 h at a temperature of about 1500°C. It is shown that the diffusion coefficients for uranium diffusion into the cladding are virtually coincident with the diffusion coefficients measured earlier for uranium diffusion into polycrystalline molybdenum. It is found that the penetration of uranium into the cladding is likely to occur only in the case of a direct contact between the cladding and fuel. The experimentally observed nonmonotonic uranium-concentration profiles are explained in terms of predominant uranium diffusion along grain boundaries. It is shown that a substantially nonmonotonic behavior observed in our experiment for the uranium-concentration profile may be explained by the presence of a polycrystalline structure of the cladding in the surface region from its inner side. The diffusion coefficient is estimated for the grain-boundary diffusion of uranium. The diffusion coefficients for cesium are estimated on the basis of experimental data obtained in the present study.

  19. Determination of hydrogen diffusion coefficients in F82H by hydrogen depth profiling with a tritium imaging plate technique

    SciTech Connect (OSTI)

    Higaki, M.; Otsuka, T.; Hashizume, K.; Tokunaga, K.; Ezato, K.; Suzuki, S.; Enoeda, M.; Akiba, M.

    2015-03-15

    Hydrogen diffusion coefficients in a reduced activation ferritic/martensitic steel (F82H) and an oxide dispersion strengthened F82H (ODS-F82H) have been determined from depth profiles of plasma-loaded hydrogen with a tritium imaging plate technique (TIPT) in the temperature range from 298 K to 523 K. Data on hydrogen diffusion coefficients, D, in F82H, are summarized as D [m{sup 2}*s{sup -1}] =1.1*10{sup -7}exp(-16[kJ mol{sup -1}]/RT). The present data indicate almost no trapping effect on hydrogen diffusion due to an excess entry of energetic hydrogen by the plasma loading, which results in saturation of the trapping sites at the surface and even in the bulk. In the case of ODS-F82H, data of hydrogen diffusion coefficients are summarized as D [m{sup 2}*s{sup -1}] =2.2*10{sup -7}exp(-30[kJ mol{sup -1}]/RT) indicating a remarkable trapping effect on hydrogen diffusion caused by tiny oxide particles (Y{sub 2}O{sub 3}) in the bulk of F82H. Such oxide particles introduced in the bulk may play an effective role not only on enhancement of mechanical strength but also on suppression of hydrogen penetration by plasma loading.

  20. SRS history and experience with palladium diffusers. Revision 1

    SciTech Connect (OSTI)

    Clark, E.A.; Dauchess, D.A.; Heung, L.K.; Rabun, R.L.; Motyka, T.

    1995-08-11

    The Savannah River Site (SRS) has processed tritium in support of national defense programs since 1955. Palladium diffusers have been used extensively for separating hydrogen isotopes from inert gases (such as argon, helium, and nitrogen). In almost forty years of service, the design of the diffuser has been steadily improving. Several diffuser designs from different manufacturers have been evaluated at SRS. The operating experience gained from these designs together with failure analyses performed on failed units have led to several recommendations for improved diffuser designs and operating methods. This experience gained at SRS and the following recommendations form the basis of this report. Even though palladium diffuser technology has proven to be reliable, SRS has examined several alternative technologies over the past several years. This report will also review some of these promising alternatives.

  1. Radon diffusion through multilayer earthen covers: models and simulations

    SciTech Connect (OSTI)

    Mayer, D.W.; Oster, C.A.; Nelson, R.W.; Gee, G.W.

    1981-09-01

    A capability to model and analyze the fundamental interactions that influence the diffusion of radon gas through uranium mill tailings and cover systems has been investigated. The purpose of this study is to develop the theoretical basis for modeling radon diffusion and to develop an understanding of the fundamental interactions that influence radon diffusion. This study develops the theoretical basis for modeling radon diffusion in one, two and three dimensions. The theory has been incorporated into three computer models that are used to analyze several tailings and cover configurations. This report contains a discussion of the theoretical basis for modeling radon diffusion, a discussion of the computer models used to analyze uranium mill tailings and multilayered cover systems, and presents the results that have been obtained.

  2. Grain boundary and triple junction diffusion in nanocrystalline copper

    SciTech Connect (OSTI)

    Wegner, M. Leuthold, J.; Peterlechner, M.; Divinski, S. V.; Song, X.; Wilde, G.

    2014-09-07

    Grain boundary and triple junction diffusion in nanocrystalline Cu samples with grain sizes, ?d?, of ?35 and ?44?nm produced by spark plasma sintering were investigated by the radiotracer method using the {sup 63}Ni isotope. The measured diffusivities, D{sub eff}, are comparable with those determined previously for Ni grain boundary diffusion in well-annealed, high purity, coarse grained, polycrystalline copper, substantiating the absence of a grain size effect on the kinetic properties of grain boundaries in a nanocrystalline material at grain sizes d???35?nm. Simultaneously, the analysis predicts that if triple junction diffusion of Ni in Cu is enhanced with respect to the corresponding grain boundary diffusion rate, it is still less than 500?D{sub gb} within the temperature interval from 420?K to 470?K.

  3. Thick diffusion limit boundary layer test problems

    SciTech Connect (OSTI)

    Bailey, T. S.; Warsa, J. S.; Chang, J. H.; Adams, M. L.

    2013-07-01

    We develop two simple test problems that quantify the behavior of computational transport solutions in the presence of boundary layers that are not resolved by the spatial grid. In particular we study the quantitative effects of 'contamination' terms that, according to previous asymptotic analyses, may have a detrimental effect on the solutions obtained by both discontinuous finite element (DFEM) and characteristic-method (CM) spatial discretizations, at least for boundary layers caused by azimuthally asymmetric incident intensities. Few numerical results have illustrated the effects of this contamination, and none have quantified it to our knowledge. Our test problems use leading-order analytic solutions that should be equal to zero in the problem interior, which means the observed interior solution is the error introduced by the contamination terms. Results from DFEM solutions demonstrate that the contamination terms can cause error propagation into the problem interior for both orthogonal and non-orthogonal grids, and that this error is much worse for non-orthogonal grids. This behavior is consistent with the predictions of previous analyses. We conclude that these boundary layer test problems and their variants are useful tools for the study of errors that are introduced by unresolved boundary layers in diffusive transport problems. (authors)

  4. Irreversible reactions and diffusive escape: Stationary properties

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Krapivsky, Paul L.; Ben-Naim, Eli

    2015-05-01

    We study three basic diffusion-controlled reaction processes—annihilation, coalescence, and aggregation. We examine the evolution starting with the most natural inhomogeneous initial configuration where a half-line is uniformly filled by particles, while the complementary half-line is empty. We show that the total number of particles that infiltrate the initially empty half-line is finite and has a stationary distribution. We determine the evolution of the average density from which we derive the average total number N of particles in the initially empty half-line; e.g. for annihilationmore » $$\\langle N\\rangle = \\frac{3}{16}+\\frac{1}{4\\π}$$ . For the coalescence process, we devise a procedure that in principle allows one to compute P(N), the probability to find exactly N particles in the initially empty half-line; we complete the calculations in the first non-trivial case (N = 1). As a by-product we derive the distance distribution between the two leading particles.« less

  5. Cell Simulation Package for Reactions and Diffusion

    Energy Science and Technology Software Center (OSTI)

    2005-04-01

    ChemCell is a simulation package designed for modeling signalling, regulatory, and metabolic pathways in biological cells. It reads input flies that describe the geomeby of the cell and positions of particles that represent proteins, protein complexes, and other bio-molecules. It also reads in lists of reactions and associated rates and other boundary condition information. ChemCell then models the reaction and diffusion of these particles within the cellular geometry as they interact overtime. It produces statisticalmore » information about the state of the cell, as well as snapshots of the reaction network. We anticipate ChemCell will be useful to researchers who wish to perform spatio-temporal modeling of cellular processes and who wish to develop new models or algorithms to add to the code. Thus ChemCell is also designed to be easy to modify and extend. The ChemCell package includes auxiliary codes for setting up problems and analyzing output.« less

  6. DIFFUSIVE SHOCK ACCELERATION SIMULATIONS OF RADIO RELICS

    SciTech Connect (OSTI)

    Kang, Hyesung; Ryu, Dongsu; Jones, T. W. E-mail: ryu@canopus.cnu.ac.kr

    2012-09-01

    Recent radio observations have identified a class of structures, so-called radio relics, in clusters of galaxies. The radio emission from these sources is interpreted as synchrotron radiation from GeV electrons gyrating in {mu}G-level magnetic fields. Radio relics, located mostly in the outskirts of clusters, seem to associate with shock waves, especially those developed during mergers. In fact, they seem to be good structures to identify and probe such shocks in intracluster media (ICMs), provided we understand the electron acceleration and re-acceleration at those shocks. In this paper, we describe time-dependent simulations for diffusive shock acceleration at weak shocks that are expected to be found in ICMs. Freshly injected as well as pre-existing populations of cosmic-ray (CR) electrons are considered, and energy losses via synchrotron and inverse Compton are included. We then compare the synchrotron flux and spectral distributions estimated from the simulations with those in two well-observed radio relics in CIZA J2242.8+5301 and ZwCl0008.8+5215. Considering that CR electron injection is expected to be rather inefficient at weak shocks with Mach number M {approx}< a few, the existence of radio relics could indicate the pre-existing population of low-energy CR electrons in ICMs. The implication of our results on the merger shock scenario of radio relics is discussed.

  7. Tritons and tritides as the solute and diffusing species in ceramic tritium breeders

    SciTech Connect (OSTI)

    Fischer, A.K.; Johnson, C.E.

    1988-06-01

    Intragranular diffusion of tritium is one component of the overall process for tritium release from lithium-containing ceramics that may be used to breed tritium in a fusion reactor. The nature of this transport is reviewed in terms of the understanding established for the mechanism of hydrogen migration in other oxides. In this mechanism, the diffusing species is the proton, which moves from oxide ion to oxide ion, thereby giving rise to apparent hydroxide migration. Analogously, at high oxygen activity, the tritio, transiently bonded to successive oxides and forming successive tritoxides, is taken to be the dominant migrating species in ceramic breeders. In addition, tritide is a significant participant in tritium release at low oxygen activity. The relationship of tritons and tritides as the migration species to the observed release of both reduced and oxidized forms of tritium can be understood in terms of the thermodynamic conditions that prevail. Mechanisms are proposed to rationalize the participation of these species. 29 refs., 3 figs.

  8. Comment on “Diffusion of n-type dopants in germanium” [Appl. Phys. Rev. 1, 011301 (2014)

    SciTech Connect (OSTI)

    Cowern, N. E. B. Simdyankin, S.; Goss, J. P.; Napolitani, E.; De Salvador, D.; Bruno, E.; Mirabella, S.; Ahn, C.; Bennett, N. S.

    2015-09-15

    The authors of the above paper call into question recent evidence on the properties of self-interstitials, I, in Ge [Cowern et al., Phys. Rev. Lett. 110, 155501 (2013)]. We show that this judgment stems from invalid model assumptions during analysis of data on B marker-layer diffusion during proton irradiation, and that a corrected analysis fully supports the reported evidence. As previously stated, I-mediated self-diffusion in Ge exhibits two distinct regimes of temperature, T: high-T, dominated by amorphous-like mono-interstitial clusters—i-morphs—with self-diffusion entropy ≈30 k, and low-T, where transport is dominated by simple self-interstitials. In a transitional range centered on 475 °C both mechanisms contribute. The experimental I migration energy of 1.84 ± 0.26 eV reported by the Münster group based on measurements of self-diffusion during irradiation at 550 °C < T < 680 °C further establishes our proposed i-morph mechanism.

  9. Diffusion coefficients of Fokker-Planck equation for rotating dust grains in a fusion plasma

    SciTech Connect (OSTI)

    Bakhtiyari-Ramezani, M. Alinejad, N.; Mahmoodi, J.

    2015-11-15

    In the fusion devices, ions, H atoms, and H{sub 2} molecules collide with dust grains and exert stochastic torques which lead to small variations in angular momentum of the grain. By considering adsorption of the colliding particles, thermal desorption of H atoms and normal H{sub 2} molecules, and desorption of the recombined H{sub 2} molecules from the surface of an oblate spheroidal grain, we obtain diffusion coefficients of the Fokker-Planck equation for the distribution function of fluctuating angular momentum. Torque coefficients corresponding to the recombination mechanism show that the nonspherical dust grains may rotate with a suprathermal angular velocity.

  10. Mechanism of paint removing by organic solvents

    SciTech Connect (OSTI)

    Del Nero, V.; Siat, C.; Marti, M.J.; Aubry, J.M.; Lallier, J.P.; Dupuy, N.; Huvenne, J.P.

    1996-01-01

    The mechanism of paint removing has been studied by comparing the stripping efficiency of a given solvent with its ability to swell the film. The most effective solvents have a Hildebrand{close_quote}s parameter, {delta}{sub H}, ranging from 10.5 to 12 and a Dimroth parameter, ET{sub (30)}, ranging from 0.25 to 0.4. The synergy observed with the mixtures DMSO/non polar solvent is explained by a dissociation of the DMSO clusters into individual molecules which diffuse more easily. {copyright} {ital 1996 American Institute of Physics.}

  11. Direct molecular diffusion and micro-mixing for rapid dewatering of LiBr solution

    SciTech Connect (OSTI)

    Bigham, S; Isfahani, RN; Moghaddam, S

    2014-03-01

    A slow molecular diffusion rate often limits the desorption process of an absorbate molecule from a liquid absorbent. To enhance the desorption rate, the absorbent is often boiled to increase the liquid vapor interfacial area. However, the growth of bubbles generated during the nucleate boiling process still remains mass-diffusion limited. Here, it is shown that a desorption rate higher than that of boiling can be achieved, if the vapor absorbent interface is continuously replenished with the absorbate-rich solution to limit the concentration boundary layer growth. The study is conducted in a LiBr-water-solution, in which the water molecules' diffusion rate is quite slow. The manipulation of the vapor solution interface concentration distribution is enabled by the mechanical confinement of the solution flow within microchannels, using a hydrophobic vapor-venting membrane and the implementation of microstructures on the flow channel's bottom wall. The microstructures stretch and fold the laminar streamlines within the solution film and produce vortices. The vortices continuously replace the concentrated solution at the vapor solution interface with the water-rich solution brought from the bottom and middle of the flow channel. The physics of the process is described using a combination of experimental and numerical studies. Published by Elsevier Ltd.

  12. Nanoscale simulation of shale transport properties using the lattice Boltzmann method: Permeability and diffusivity

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Chen, Li; Zhang, Lei; Kang, Qinjun; Viswanathan, Hari S.; Yao, Jun; Tao, Wenquan

    2015-01-28

    Here, porous structures of shales are reconstructed using the markov chain monte carlo (MCMC) method based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analysis of the reconstructed shales is performed, including porosity, pore size distribution, specific surface area and pore connectivity. The lattice Boltzmann method (LBM) is adopted to simulate fluid flow and Knudsen diffusion within the reconstructed shales. Simulation results reveal that the tortuosity of the shales is much higher than that commonly employed in the Bruggeman equation, and such high tortuosity leads to extremely low intrinsic permeability. Correction of the intrinsicmore » permeability is performed based on the dusty gas model (DGM) by considering the contribution of Knudsen diffusion to the total flow flux, resulting in apparent permeability. The correction factor over a range of Knudsen number and pressure is estimated and compared with empirical correlations in the literature. We find that for the wide pressure range investigated, the correction factor is always greater than 1, indicating Knudsen diffusion always plays a role on shale gas transport mechanisms in the reconstructed shales. Specifically, we found that most of the values of correction factor fall in the slip and transition regime, with no Darcy flow regime observed.« less

  13. Systematic characterization of protein folding pathways using diffusion maps: Application to Trp-cage miniprotein

    SciTech Connect (OSTI)

    Kim, Sang Beom; Dsilva, Carmeline J.; Debenedetti, Pablo G.; Kevrekidis, Ioannis G.

    2015-02-28

    Understanding the mechanisms by which proteins fold from disordered amino-acid chains to spatially ordered structures remains an area of active inquiry. Molecular simulations can provide atomistic details of the folding dynamics which complement experimental findings. Conventional order parameters, such as root-mean-square deviation and radius of gyration, provide structural information but fail to capture the underlying dynamics of the protein folding process. It is therefore advantageous to adopt a method that can systematically analyze simulation data to extract relevant structural as well as dynamical information. The nonlinear dimensionality reduction technique known as diffusion maps automatically embeds the high-dimensional folding trajectories in a lower-dimensional space from which one can more easily visualize folding pathways, assuming the data lie approximately on a lower-dimensional manifold. The eigenvectors that parametrize the low-dimensional space, furthermore, are determined systematically, rather than chosen heuristically, as is done with phenomenological order parameters. We demonstrate that diffusion maps can effectively characterize the folding process of a Trp-cage miniprotein. By embedding molecular dynamics simulation trajectories of Trp-cage folding in diffusion maps space, we identify two folding pathways and intermediate structures that are consistent with the previous studies, demonstrating that this technique can be employed as an effective way of analyzing and constructing protein folding pathways from molecular simulations.

  14. Effect of advective flow in fractures and matrix diffusion on natural gas production

    SciTech Connect (OSTI)

    Karra, Satish; Makedonska, Nataliia; Viswanathan, Hari S.; Painter, Scott L.; Hyman, Jeffrey D.

    2015-10-12

    Although hydraulic fracturing has been used for natural gas production for the past couple of decades, there are significant uncertainties about the underlying mechanisms behind the production curves that are seen in the field. A discrete fracture network based reservoir-scale work flow is used to identify the relative effect of flow of gas in fractures and matrix diffusion on the production curve. With realistic three dimensional representations of fracture network geometry and aperture variability, simulated production decline curves qualitatively resemble observed production decline curves. The high initial peak of the production curve is controlled by advective fracture flow of free gas within the network and is sensitive to the fracture aperture variability. Matrix diffusion does not significantly affect the production decline curve in the first few years, but contributes to production after approximately 10 years. These results suggest that the initial flushing of gas-filled background fractures combined with highly heterogeneous flow paths to the production well are sufficient to explain observed initial production decline. Lastly, these results also suggest that matrix diffusion may support reduced production over longer time frames.

  15. Effect of advective flow in fractures and matrix diffusion on natural gas production

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Karra, Satish; Makedonska, Nataliia; Viswanathan, Hari S.; Painter, Scott L.; Hyman, Jeffrey D.

    2015-10-12

    Although hydraulic fracturing has been used for natural gas production for the past couple of decades, there are significant uncertainties about the underlying mechanisms behind the production curves that are seen in the field. A discrete fracture network based reservoir-scale work flow is used to identify the relative effect of flow of gas in fractures and matrix diffusion on the production curve. With realistic three dimensional representations of fracture network geometry and aperture variability, simulated production decline curves qualitatively resemble observed production decline curves. The high initial peak of the production curve is controlled by advective fracture flow of freemore » gas within the network and is sensitive to the fracture aperture variability. Matrix diffusion does not significantly affect the production decline curve in the first few years, but contributes to production after approximately 10 years. These results suggest that the initial flushing of gas-filled background fractures combined with highly heterogeneous flow paths to the production well are sufficient to explain observed initial production decline. Lastly, these results also suggest that matrix diffusion may support reduced production over longer time frames.« less

  16. Formation and Growth of Stacking Fault Tetrahedra in Ni via Vacancy Aggregation Mechanism

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Aidhy, Dilpuneet S.; Lu, Chenyang; Jin, Ke; Bei, Hongbin; Zhang, Yanwen; Wang, Lumin; Weber, William J.

    2015-12-29

    Using molecular dynamics simulations, the formation and growth of stacking fault tetrahedra (SFT) are captured by vacancy cluster diffusion and aggregation mechanisms in Ni. The vacancytetrahedron acts as a nucleation point for SFT formation. Simulations show that perfect SFT can grow to the next size perfect SFT via a vacancy aggregation mechanism. The stopping and range of ions in matter (SRIM) calculations and transmission electron microscopy (TEM) observations reveal that SFT can form farther away from the initial cascade-event locations, indicating the operation of diffusion-based vacancy-aggregation mechanism.

  17. Hydrogen Diffusion through Multiple Packaging Layers

    SciTech Connect (OSTI)

    McAllister, J.; Mohiuddin, A.

    2010-05-05

    For this scenario, hydrogen is generated in a container that is eventually stored within a drum or some type of long range storage container. When preparing for long-term storage, the hydrogen container (HC) is placed in a plastic bag (PB1). The PB1 is then placed inside an inner drum (ID). The ID is placed inside a plastic bag (PB2) which is then placed within an outer drum (OD). One or more ODs are then storage is a large container (LC). Filtered vents or vent holes are located on all the container barriers to prevent pressurization and allow gases to flow in and out of the HC. The LC is vented to the atmosphere with four vent paths for this example. The source of hydrogen generation for this study is not important. Any source that generates hydrogen in elemental form (i.e., H{sub 2}) is a candidate for the purposes of this generic evaluation. The released hydrogen accumulates inside the waste packaging. Depending on the permeability of the packaging layers, some of the accumulated hydrogen may diffuse out of the packaging layers and into the space surrounding the drums. Since the drums are confined in the LC, the hydrogen accumulates in the LC as it did inside the drums if venting of the LC does not occur. If accumulation in the LC is allowed without venting, the confinement is eventually breached or the hydrogen is consumed by reaction with other chemical species. One possible reaction is combustion with oxygen. Such a reaction can be explosive, and from this possibility arises the safety concern.

  18. Experimental Investigation of Radio-Turbulence Induced Diffusion -- Final Report

    SciTech Connect (OSTI)

    Spitz, H. B.; Usman, S.

    2005-07-07

    The outcome of this research project suggests that the transport of radon in water is significantly greater than that predicted solely by molecular diffusion. The original study was related to the long term storage of {sup 226}Ra-bearing sand at the DOE Fernald site and determining whether a barrier of water covering the sand would be effective in reducing the emanation of {sup 222}Rn from the sand. Initial observations before this study found the transport of radon in water to be greater than that predicted solely by molecular diffusion. Fick's law on diffusion was used to model the transport of radon in water including the impact associated with radioactive decay. Initial measurements suggested that the deposition of energy in water associated with the radioactive decay process influences diffusion and enhances transport of radon. A multi-region, one-dimensional, steady-state transport model was used to analyze the movement of radon through a sequential column of air, water and air. An effective diffusion coefficient was determined by varying the thickness of the water column and measuring the time for transport of {sup 222}Rn through of the water barrier. A one-region, one-dimensional transient diffusion equation was developed to investigate the build up of radon at the end of the water column to the time when a steady-state, equilibrium condition was achieved. This build up with time is characteristic of the transport rate of radon in water and established the basis for estimating the effective diffusion coefficient for {sup 222}Rn in water. Several experiments were conducted using different types and physical arrangements of water barriers to examine how radon transport is influenced by the water barrier. Results of our measurements confirm our theoretical analyses which suggest that convective forces other than pure molecular diffusion impact the transport of {sup 222}Rn through the water barrier. An effective diffusion coefficient is defined that includes

  19. Modelling oxygen self-diffusion in UO2 under pressure

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Cooper, Michael William D.; Grimes, R. W.; Fitzpatrick, M. E.; Chroneos, A.

    2015-10-22

    Access to values for oxygen self-diffusion over a range of temperatures and pressures in UO2 is important to nuclear fuel applications. Here, elastic and expansivity data are used in the framework of a thermodynamic model, the cBΩ model, to derive the oxygen self-diffusion coefficient in UO2 over a range of pressures (0–10 GPa) and temperatures (300–1900 K). Furthermore, the significant reduction in oxygen self-diffusion as a function of increasing hydrostatic pressure, and the associated increase in activation energy, is identified.

  20. Kinetic Isotopic Fractionation During Diffusion of Ionic Speciesin Water

    SciTech Connect (OSTI)

    Richter, Frank M.; Mendybaev, Ruslan A.; Christensen, John; Hutcheon, Ian D.; Williams, Ross W.; Sturchio, Neil C.; Beloso Jr.,Abelardo D.

    2005-06-09

    Experiments specifically designed to measure the ratio of the diffusivities of ions dissolved in water were used to determine D{sub Li}/D{sub K}, D{sub 7{sub Li}}/D{sub 6{sub Li}}, D{sub 25{sub Mg}}/D{sub 24{sub Mg}}, D{sub 26{sub Mg}}/D{sub 25{sub Mg}}, and D{sub 37{sub Cl}}/D{sub 35{sub Cl}}. The measured ratio of the diffusion coefficients for Li and K in water (D{sub Li}/D{sub K} = 0.6) is in good agreement with published data, providing evidence that the experimental design being used resolves the relative mobility of ions with adequate precision to also be used for determining the fractionation of isotopes by diffusion in water. In the case of Li we found measurable isotopic fractionation associated with the diffusion of dissolved LiCl (D{sub 7{sub Li}}/D{sub 6{sub Li}} = 0.99772 {+-} 0.00026). This difference in the diffusion coefficient of {sup 7}Li compared to {sup 6}Li is significantly less than reported in an earlier study, a difference we attribute to the fact that in the earlier study Li diffused through a membrane separating the water reservoirs. Our experiments involving Mg diffusing in water found no measurable isotopic fractionation (D{sub 25{sub Mg}}/D{sub 24{sub Mg}} = 1.00003 {+-} 0.00006). Cl isotopes were fractionated during diffusion in water (D{sub 37{sub Cl}}/D{sub 35{sub Cl}} = 0.99857 {+-} 0.00080) whether or not the co-diffuser (Li or Mg) was isotopically fractionated. The isotopic fractionation associated with the diffusion of ions in water is much smaller than values we found previously for the isotopic fractionation of Li and Ca isotopes by diffusion in molten silicate liquids. A major distinction between water and silicate liquids is that water, being a polar liquid, surrounds dissolved ions with hydration shells, which very likely play an important but still poorly understood role in reducing isotopic fractionation associated with diffusion.

  1. Diffusive mesh relaxation in ALE finite element numerical simulations

    SciTech Connect (OSTI)

    Dube, E.I.

    1996-06-01

    The theory for a diffusive mesh relaxation algorithm is developed for use in three-dimensional Arbitary Lagrange/Eulerian (ALE) finite element simulation techniques. This mesh relaxer is derived by a variational principle for an unstructured 3D grid using finite elements, and incorporates hourglass controls in the numerical implementation. The diffusive coefficients are based on the geometric properties of the existing mesh, and are chosen so as to allow for a smooth grid that retains the general shape of the original mesh. The diffusive mesh relaxation algorithm is then applied to an ALE code system, and results from several test cases are discussed.

  2. Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

    SciTech Connect (OSTI)

    Goyal, Anuj; Phillpot, Simon R.; Subramanian, Gopinath; Andersson, David A.; Stanek, Chris R.; Uberuaga, Blas P.

    2015-03-03

    We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO2. Vacancy migration pathways and barriers are identified using density functional theory and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and noncubic symmetry associated with the uranium vacancy in UO2 and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect to the minimum is required to correctly predict the change in the energy barrier between the strained and the unstrained case. Diffusivities are computed using kinetic Monte Carlo simulations for both neutral and fully charged state of uranium single and divacancies. We calculate the effect of strain on migration barriers in the temperature range 8001800 K for both vacancy types. Homogeneous strains as small as 2% have a considerable effect on diffusivity of both single and divacancies of uranium, with the effect of strain being more pronounced for single vacancies than divacancies. In contrast, the response of a given defect to strain is less sensitive to changes in the charge state of the defect. Further, strain leads to anisotropies in the mobility of the vacancy and the degree of anisotropy is very sensitive to the nature of the applied strain field for strain of equal magnitude. Our results indicate that the influence of strain on vacancy diffusivity will be significantly greater when single vacancies dominate the defect structure, such as sintering, while the effects will be much less substantial under irradiation conditions where divacancies dominate.

  3. Diffusive and quantum effects of water properties in different states of matter

    SciTech Connect (OSTI)

    Yeh, Kuan-Yu; Huang, Shao-Nung; Chen, Li-Jen E-mail: stlin@ntu.edu.tw; Lin, Shiang-Tai E-mail: stlin@ntu.edu.tw

    2014-07-28

    The enthalpy, entropy, and free energy of water are important physical quantities for understanding many interesting phenomena in biological systems. However, conventional approaches require different treatments to incorporate quantum and diffusive effects of water in different states of matter. In this work, we demonstrate the use of the two-phase thermodynamic (2PT) model as a unified approach to obtain the properties of water over the whole phase region of water from short (∼20 ps) classical molecular dynamics trajectories. The 2PT model provides an effective way to separate the diffusive modes (gas-like component) from the harmonic vibrational modes (solid-like component) in the vibrational density of states (DoS). Therefore, both diffusive and quantum effect can be properly accounted for water by applying suitable statistical mechanical weighting functions to the DoS components. We applied the 2PT model to systematically examine the enthalpy, entropy, and their temperature dependence of five commonly used rigid water models. The 2PT results are found to be consistent with those obtained from more sophisticated calculations. While the thermodynamic properties determined from different water models are largely similar, the phase boundary determined from the equality of free energy is very sensitive to the small inaccuracy in the values of enthalpy and absolute entropy. The enthalpy, entropy, and diffusivity of water are strongly interrelated, which challenge further improvement of rigid water model via parameter fitting. Our results show that the 2PT is an efficient method for studying the properties of water under various chemical and biological environments.

  4. Fabrication and Design Aspects of High-Temperature Compact Diffusion Bonded Heat Exchangers

    SciTech Connect (OSTI)

    Mylavarapu, Sai K.; Sun, Xiaodong; Christensen, Richard N.; Glosup, Richard E.; Unocic, Raymond R

    2012-01-01

    The very high temperature reactor (VHTR), using gas-cooled reactor technology, is one of the six reactor concepts selected by the Generation IV International Forum and is anticipated to be the reactor type for the next generation nuclear plant (NGNP). In this type of reactor with an indirect power cycle system, a high-temperature and high integrity intermediate heat exchanger (IHX) with high effectiveness is required to efficiently transfer the core thermal output to secondary fluid for electricity production, process heat, or hydrogen cogeneration. The current Technology Readiness Level status issued by NGNP to all components associated with the IHX for reactor core outlet temperatures of 750-800oC is 3 on a scale of 1 to 10 with 10 being the most ready. At present, there is no proven high-temperature IHX concept for VHTRs. Amongst the various potential IHX concepts available, diffusion bonded heat exchangers (henceforth called printed circuit heat exchangers, or PCHEs) appear promising for NGNP applications. The design and fabrication of this key component of NGNP is the primary focus of this paper. In the current study, two PCHEs were fabricated using Alloy 617 plates and will be experimentally investigated for their thermal-hydraulic performance in a high-temperature helium test facility (HTHF). The HTHF was primarily designed and constructed to test the thermal-hydraulic performance of PCHEs The test facility is primarily of Alloy 800H construction and is designed to facilitate experiments at temperatures and pressures up to 800oC and 3 MPa, respectively. The PCHE fabrication related processes, i.e., photochemical machining and diffusion bonding are briefly discussed for Alloy 617 plates. Diffusion bonding of Alloy 617 plates with and without a Ni interlayer is discussed. Furthermore, preliminary microstructural and mechanical characterization studies of representative diffusion bonded Alloy 617 specimens are presented.

  5. Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Goyal, Anuj; Phillpot, Simon R.; Subramanian, Gopinath; Andersson, David A.; Stanek, Chris R.; Uberuaga, Blas P.

    2015-03-03

    We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO2. Vacancy migration pathways and barriers are identified using density functional theory and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and noncubic symmetry associated with the uranium vacancy in UO2 and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect to the minimummore » is required to correctly predict the change in the energy barrier between the strained and the unstrained case. Diffusivities are computed using kinetic Monte Carlo simulations for both neutral and fully charged state of uranium single and divacancies. We calculate the effect of strain on migration barriers in the temperature range 800–1800 K for both vacancy types. Homogeneous strains as small as 2% have a considerable effect on diffusivity of both single and divacancies of uranium, with the effect of strain being more pronounced for single vacancies than divacancies. In contrast, the response of a given defect to strain is less sensitive to changes in the charge state of the defect. Further, strain leads to anisotropies in the mobility of the vacancy and the degree of anisotropy is very sensitive to the nature of the applied strain field for strain of equal magnitude. Our results indicate that the influence of strain on vacancy diffusivity will be significantly greater when single vacancies dominate the defect structure, such as sintering, while the effects will be much less substantial under irradiation conditions where divacancies dominate.« less

  6. Impact of homogeneous strain on uranium vacancy diffusion in uranium dioxide

    SciTech Connect (OSTI)

    Goyal, Anuj; Phillpot, Simon R.; Subramanian, Gopinath; Andersson, David A.; Stanek, Chris R.; Uberuaga, Blas P.

    2015-03-03

    We present a detailed mechanism of, and the effect of homogeneous strains on, the migration of uranium vacancies in UO2. Vacancy migration pathways and barriers are identified using density functional theory and the effect of uniform strain fields are accounted for using the dipole tensor approach. We report complex migration pathways and noncubic symmetry associated with the uranium vacancy in UO2 and show that these complexities need to be carefully accounted for to predict the correct diffusion behavior of uranium vacancies. We show that under homogeneous strain fields, only the dipole tensor of the saddle with respect to the minimum is required to correctly predict the change in the energy barrier between the strained and the unstrained case. Diffusivities are computed using kinetic Monte Carlo simulations for both neutral and fully charged state of uranium single and divacancies. We calculate the effect of strain on migration barriers in the temperature range 800–1800 K for both vacancy types. Homogeneous strains as small as 2% have a considerable effect on diffusivity of both single and divacancies of uranium, with the effect of strain being more pronounced for single vacancies than divacancies. In contrast, the response of a given defect to strain is less sensitive to changes in the charge state of the defect. Further, strain leads to anisotropies in the mobility of the vacancy and the degree of anisotropy is very sensitive to the nature of the applied strain field for strain of equal magnitude. Our results indicate that the influence of strain on vacancy diffusivity will be significantly greater when single vacancies dominate the defect structure, such as sintering, while the effects will be much less substantial under irradiation conditions where divacancies dominate.

  7. EM Begins Demolishing K-31 Gaseous Diffusion Building

    Broader source: Energy.gov [DOE]

    OAK RIDGE, Tenn. – EM's demolition of the K-31 Building at Oak Ridge’s East Tennessee Technology Park (ETTP) began Wednesday, marking the removal of the fourth of five gaseous diffusion buildings at the former uranium enrichment site.

  8. A molecular dynamics investigation of the diffusion characteristics...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    137, 83-91 (2011) DOI: 10.1016j.micromeso.2010.08.026 Full-size image (36 K) Abstract: Molecular dynamics (MD) simulations are used to investigate the diffusion characteristics...

  9. Influence of adsorption on the diffusion selectivity for mixture...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Baten, J. Membr. Sci., 369, 545-549 (2011) DOI: 10.1016j.memsci.2010.12.042 Abstract: Molecular dynamics (MD) simulations were carried out to determine the self-diffusivities,...

  10. Thermodynamic properties and diffusion of water + methane binary mixtures

    SciTech Connect (OSTI)

    Shvab, I.; Sadus, Richard J.

    2014-03-14

    Thermodynamic and diffusion properties of water + methane mixtures in a single liquid phase are studied using NVT molecular dynamics. An extensive comparison is reported for the thermal pressure coefficient, compressibilities, expansion coefficients, heat capacities, Joule-Thomson coefficient, zero frequency speed of sound, and diffusion coefficient at methane concentrations up to 15% in the temperature range of 298650 K. The simulations reveal a complex concentration dependence of the thermodynamic properties of water + methane mixtures. The compressibilities, heat capacities, and diffusion coefficients decrease with increasing methane concentration, whereas values of the thermal expansion coefficients and speed of sound increase. Increasing methane concentration considerably retards the self-diffusion of both water and methane in the mixture. These effects are caused by changes in hydrogen bond network, solvation shell structure, and dynamics of water molecules induced by the solvation of methane at constant volume conditions.

  11. Modeling Copper Diffusion in Polycrystalline CdTe Solar Cells

    SciTech Connect (OSTI)

    Akis, Richard; Brinkman, Daniel; Sankin, Igor; Fang, Tian; Guo, Da; Vasileska, Dragica; Ringhofer, Christain

    2014-06-06

    It is well known that Cu plays an important role in CdTe solar cell performance as a dopant. In this work, a finite-difference method is developed and used to simulate Cu diffusion in CdTe solar cells. In the simulations, which are done on a two-dimensional (2D) domain, the CdTe is assumed to be polycrystalline, with the individual grains separated by grain boundaries. When used to fit experimental Cu concentration data, bulk and grain boundary diffusion coefficients and activation energies for CdTe can be extracted. In the past, diffusion coefficients have been typically obtained by fitting data to simple functional forms of limited validity. By doing full simulations, the simplifying assumptions used in those analytical models are avoided and diffusion parameters can thus be determined more accurately

  12. Extracting Cu Diffusion Parameters in Polycrystalline CdTe

    SciTech Connect (OSTI)

    Akis, Richard; Brinkman, Daniel; Sankin, Igor; Fang, Tian; Guo, Da; Dragica, Vasileska; Ringhofer, Christian

    2014-06-13

    It is well known that Cu plays an important role in CdTe solar cell performance as a dopant. In this work, a finite-difference method is developed and used to simulate Cu diffusion in CdTe solar cells. In the simulations, which are done on a two-dimensional (2D) domain, the CdTe is assumed to be polycrystal-line, with the individual grains separated by grain boundaries. When used to fit experimental Cu concentration data, bulk and grain boundary diffusion coefficients and activation energies for CdTe can be extracted. In the past, diffusion coefficients have been typically obtained by fitting data to simple functional forms of limited validity. By doing full simulations, the simplifying assumptions used in those analytical models are avoided and diffusion parameters can thus be determined more accurately.

  13. Metallic diffusion process and improved article produced thereby

    DOE Patents [OSTI]

    Morrow, M. Stanley; Schechter, Donald E.; Grant, Harley A.

    2003-04-29

    A uniquely surface-modified metallic part is provided by the utilization of microwave energy to promote diffusion of desired metals into the surface of the formed metallic part.

  14. Spectral Components Analysis of Diffuse Emission Processes (Journal...

    Office of Scientific and Technical Information (OSTI)

    This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and ... We develop a novel method to separate the components of a diffuse emission process based ...

  15. Intensity Pattern of Diffuse X-Ray Scattering From Thermally...

    Office of Scientific and Technical Information (OSTI)

    Populated Phonons in Fcc d-Pu-Ga Citation Details In-Document Search Title: Intensity Pattern of Diffuse X-Ray Scattering From Thermally Populated Phonons in Fcc d-Pu-Ga ...

  16. Pre-plated reactive diffusion-bonded battery electrode plaques

    DOE Patents [OSTI]

    Maskalick, Nicholas J.

    1984-01-01

    A high strength, metallic fiber battery plaque is made using reactive diffusion bonding techniques, where a substantial amount of the fibers are bonded together by an iron-nickel alloy.

  17. Fast Diffusion of Native Defects and Impurities in Perovskite...

    Office of Scientific and Technical Information (OSTI)

    in Perovskite Solar Cell Material CH 3 NH 3 PbI 3 Citation Details In-Document Search Title: Fast Diffusion of Native Defects and Impurities in Perovskite Solar Cell Material CH ...

  18. Generalizing the self-healing diffusion Monte Carlo approach...

    Office of Scientific and Technical Information (OSTI)

    Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: A path for the optimization of low-energy many-body bases Citation Details In-Document Search ...

  19. Diffusion releases through one and two finite planar zones from...

    Office of Scientific and Technical Information (OSTI)

    When the effective diffusion coefficient in the first zone is several orders of magnitude lower than that in the host rock, then the two-zone geometry can be approximately by a ...

  20. Simulations of singlet exciton diffusion in organic semiconductors: a review

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bjorgaard, Josiah A.; Kose, Muhammet Erkan

    2014-12-22

    Our review describes the various aspects of simulation strategies for exciton diffusion in condensed phase thin films of organic semiconductors. Several methods for calculating energy transfer rate constants are discussed along with procedures for how to account for energetic disorder. Exciton diffusion can be modelled by using kinetic Monte-Carlo methods or master equations. Recent literature on simulation efforts for estimating exciton diffusion lengths of various conjugated polymers and small molecules are introduced. Moreover, these studies are discussed in the context of the effects of morphology on exciton diffusion and the necessity of accurate treatment of disorder for comparison of simulationmore » results with those of experiment.« less

  1. Gas Diffusion Electrodes and Methods for Fabricating and Testing Same -

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Energy Innovation Portal Hydrogen and Fuel Cell Hydrogen and Fuel Cell Find More Like This Return to Search Gas Diffusion Electrodes and Methods for Fabricating and Testing Same Brookhaven National Laboratory Contact BNL About This Technology Publications: PDF Document Publication Fabricating and Measuring Low-Platinum Content HOR/HER Gas Diffusion Electrodes (89 KB) Technology Marketing Summary A typical membrane electrode assembly (MEA) consists of five distinct layers: A polymer

  2. Gas Diffusion Electrodes for Fuel Cells - Energy Innovation Portal

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Vehicles and Fuels Vehicles and Fuels Hydrogen and Fuel Cell Hydrogen and Fuel Cell Advanced Materials Advanced Materials Find More Like This Return to Search Gas Diffusion Electrodes for Fuel Cells Sandia National Laboratories Contact SNL About This Technology Publications: PDF Document Publication Market Sheet (778 KB) Technology Marketing SummaryA unique gas diffusion electrode technique resulting in little to no leftover methanol, therefore increasing the overall effectiveness and

  3. Big Data Projects on Solar Technology Evolution and Diffusion: Kickoff

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Meeting | Department of Energy Soft Costs » Big Data Projects on Solar Technology Evolution and Diffusion: Kickoff Meeting Big Data Projects on Solar Technology Evolution and Diffusion: Kickoff Meeting Graphic showing a web of people with energy bolts connecting them. Through the SEEDS program, seven projects are investigating strategies to accelerate the pace of change for solar energy technologies using cutting-edge analytical and computational tools, real-world market data, and pilot

  4. FREQUENCY AND DIFFUSION MAPS FOR THE SNS RING.

    SciTech Connect (OSTI)

    PAPAPHILIPPOU,Y.

    2001-06-18

    Using a single particle dynamics approach: the major magnetic non-linearities of the SNS accumulator ring are studied. Frequency maps are employed in order to display the global dynamics of the beam, for several working points. By means of diffusion maps the major resonances are explored and their bandwidth is estimated. The global tune diffusion coefficient is finally used to compare and choose the best working point.

  5. On Correction of Diffuse Radiation Measured by MFRSR

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    On Correction of Diffuse Radiation Measured by MFRSR T. B. Zhuravleva Institute of Atmospheric Optics, SB RAS Tomsk, Russia M. A. Sviridenkov and P. P. Anikin A. M. Obukhov Institute of Atmospheric Physics, RAS Moscow, Russia Introduction The multi-filter rotated shadowband radiometer (MFRSR) provides spectral direct, diffuse, and total horizontal solar irradiance measurements. Because the MFRSR's receiver has a non-Lambertian response, for a correct interpretation of measured radiation an

  6. On quasilinear perpendicular diffusion of cosmic rays in weak turbulence

    SciTech Connect (OSTI)

    Schlickeiser, R.; Shalchi, A.

    2004-09-15

    The quasilinear calculation of perpendicular diffusion of cosmic ray particles for weak dynamical magnetic turbulence of arbitrary geometry is presented. Starting from the equations of motion a detailed point-by-point derivation of quasilinear Fokker-Planck coefficients is given. It is shown that, in order to have diffusive behaviour of the Fokker-Planck coefficients, the existence of a finite correlation time of the magnetic fluctuations is essential.

  7. Optical processing furnace with quartz muffle and diffuser plate

    DOE Patents [OSTI]

    Sopori, B.L.

    1996-11-19

    An optical furnace for annealing a process wafer is disclosed comprising a source of optical energy, a quartz muffle having a door to hold the wafer for processing, and a quartz diffuser plate to diffuse the light impinging on the quartz muffle; a feedback system with a light sensor located in the wall of the muffle is also provided for controlling the source of optical energy. 5 figs.

  8. Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of Titanium |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of Titanium Oxygen Diffusion (OD) Dramatically Improves Wear-Resistance of Titanium 2007 Diesel Engine-Efficiency & Emissions Research Conference (DEER 2007). 13-16 August, 2007, Detroit, Michigan. Sponsored by the U.S. Department of Energy's (DOE) Office of FreedomCAR and Vehicle Technologies (OFCVT). deer07_qu.pdf (724.19 KB) More Documents & Publications Ionic Liquids as Multifunctional Ashless

  9. DOE Awards Contract for Paducah Gaseous Diffusion Plant Infrastructure

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Support Services | Department of Energy Paducah Gaseous Diffusion Plant Infrastructure Support Services DOE Awards Contract for Paducah Gaseous Diffusion Plant Infrastructure Support Services June 17, 2015 - 5:45pm Addthis Media Contact: Lynette Chafin, 513-246-0461, Lynette.Chafin@emcbc.doe.gov Cincinnati -- The U.S. Department of Energy (DOE) today announced the award of a contract to Swift & Staley, Inc. of Kevil, Kentucky, for the performance of infrastructure support services at the

  10. DOE Awards Contract for Portsmouth Gaseous Diffusion Plant Infrastructure

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Support Services | Department of Energy Portsmouth Gaseous Diffusion Plant Infrastructure Support Services DOE Awards Contract for Portsmouth Gaseous Diffusion Plant Infrastructure Support Services January 15, 2016 - 12:00pm Addthis Media Contact Lynette Chafin, 513-246-0461 Lynette.Chafin@emcbc.doe.gov Cincinnati -- The U.S. Department of Energy (DOE) today announced the award of a contract to Portsmouth Mission Alliance, LLC of Idaho Falls, Idaho, for the performance of infrastructure

  11. DOE Releases Request for Information for Paducah Gaseous Diffusion Plant

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Deactivation & Remediation Services | Department of Energy Paducah Gaseous Diffusion Plant Deactivation & Remediation Services DOE Releases Request for Information for Paducah Gaseous Diffusion Plant Deactivation & Remediation Services September 2, 2015 - 3:00pm Addthis Media Contact Lynette Chafin, 513-246-0461, Lynette.Chafin@emcbc.doe.gov Cincinnati -- The U.S. Department of Energy (DOE) today issued a Request for Information (RFI) seeking to solicit input via capability

  12. DOE Seeks Small Businesses for Portsmouth Gaseous Diffusion Plant

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Infrastructure Support Services | Department of Energy Portsmouth Gaseous Diffusion Plant Infrastructure Support Services DOE Seeks Small Businesses for Portsmouth Gaseous Diffusion Plant Infrastructure Support Services July 2, 2014 - 12:00pm Addthis Media Contact Bill Taylor, 803-952-8564, bill.taylor@srs.gov Cincinnati -- The U.S. Department of Energy (DOE) today issued a Draft Request for Proposal (RFP) seeking eligible small businesses under North American Industry Classification System

  13. Paducah Gaseous Diffusion Plant Final Environmental Assessment for

    Energy Savers [EERE]

    DOE Site Tours Nostalgic for Former Workers Paducah DOE Site Tours Nostalgic for Former Workers July 15, 2016 - 9:35am Addthis Eugene Waggoner poses for a portrait in the C-300 Central Control Building at the Paducah Gaseous Diffusion Plant. (Story and photo by Dylan Nichols, Fluor Paducah Deactivation Project.) Eugene Waggoner poses for a portrait in the C-300 Central Control Building at the Paducah Gaseous Diffusion Plant. (Story and photo by Dylan Nichols, Fluor Paducah Deactivation Project.)

  14. DOE - Office of Legacy Management -- Portsmouth Gaseous Diffusion Plant -

    Office of Legacy Management (LM)

    026 Portsmouth Gaseous Diffusion Plant - 026 FUSRAP Considered Sites Site: Portsmouth Gaseous Diffusion Plant (026 ) More information at http://energy.gov/em Designated Name: Not Designated under FUSRAP Alternate Name: Portsmouth, OH, Site Location: Pike County, Ohio Evaluation Year: Not considered for FUSRAP - in another program Site Operations: Production of enriched uranium Site Disposition: Remediation in progress by DOE Office of Environmental Management. After the site is complete, it

  15. An Instrument Design Concept for Measuring Solar Diffuse Irradiance

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    An Instrument Design Concept for Measuring Solar Diffuse Irradiance Rutledge, Charles NASA Langley Research Center Schuster, Greg NASA Langley Research Center Category: Instruments Recent effort towards the development of a diffuse horizontal solar irradiance standard group [Michalsky et.al. 2005] using well calibrated pyranometers suggested that inter-instrument differences in cosine response characteristics may be problematic. They showed a calibration method using overcast skies (an

  16. Adaptive domain decomposition methods for advection-diffusion problems

    SciTech Connect (OSTI)

    Carlenzoli, C.; Quarteroni, A.

    1995-12-31

    Domain decomposition methods can perform poorly on advection-diffusion equations if diffusion is dominated by advection. Indeed, the hyperpolic part of the equations could affect the behavior of iterative schemes among subdomains slowing down dramatically their rate of convergence. Taking into account the direction of the characteristic lines we introduce suitable adaptive algorithms which are stable with respect to the magnitude of the convective field in the equations and very effective on bear boundary value problems.

  17. Phosphorus out-diffusion in laser molten silicon

    SciTech Connect (OSTI)

    Köhler, J. R.; Eisele, S. J.

    2015-04-14

    Laser doping via liquid phase diffusion enables the formation of defect free pn junctions and a tailoring of diffusion profiles by varying the laser pulse energy density and the overlap of laser pulses. We irradiate phosphorus diffused 100 oriented p-type float zone silicon wafers with a 5 μm wide line focused 6.5 ns pulsed frequency doubled Nd:YVO{sub 4} laser beam, using a pulse to pulse overlap of 40%. By varying the number of laser scans N{sub s} = 1, 2, 5, 10, 20, 40 at constant pulse energy density H = 1.3 J/cm{sup 2} and H = 0.79 J/cm{sup 2} we examine the out-diffusion of phosphorus atoms performing secondary ion mass spectroscopy concentration measurements. Phosphorus doping profiles are calculated by using a numerical simulation tool. The tool models laser induced melting and re-solidification of silicon as well as the out-diffusion of phosphorus atoms in liquid silicon during laser irradiation. We investigate the observed out-diffusion process by comparing simulations with experimental concentration measurements. The result is a pulse energy density independent phosphorus out-diffusion velocity v{sub out} = 9 ± 1 cm/s in liquid silicon, a partition coefficient of phosphorus 1 < k{sub p} < 1.1 and a diffusion coefficient D = 1.4(±0.2)cm{sup 2}/s × 10{sup −3 }× exp[−183 meV/(k{sub B}T)].

  18. Scale dependency of the effective matrix diffusion coefficient

    SciTech Connect (OSTI)

    Liu, H.H.; Bodvarsson, G.S.; Zhang, G.

    2003-05-30

    It has been recognized that matrix diffusion is an important process for retarding solute transport in fractured rock. Based on analyses of tracer transport data from a number of field tests, we demonstrate for the first time that the effective matrix-diffusion coefficient may be scale dependent and generally increases with test scale. A preliminary theoretical explanation of this scale dependency is also presented, based on the hypothesis that solute travel paths within a fracture network are fractals.

  19. DOE Seeks Small Businesses for Paducah Gaseous Diffusion Plant

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Infrastructure Support Services | Department of Energy Small Businesses for Paducah Gaseous Diffusion Plant Infrastructure Support Services DOE Seeks Small Businesses for Paducah Gaseous Diffusion Plant Infrastructure Support Services June 10, 2014 - 12:00pm Addthis Media Contact Bill Taylor, 803-952-8564 bill.taylor@srs.gov Cincinnati -- The U.S. Department of Energy (DOE) today issued a Draft Request for Proposal (RFP) seeking eligible small businesses under North American Industry

  20. Impact of mesophyll diffusion on estimated global land CO2 fertilizati...

    Office of Scientific and Technical Information (OSTI)

    Impact of mesophyll diffusion on estimated global land CO2 fertilization Citation Details In-Document Search Title: Impact of mesophyll diffusion on estimated global land CO2 ...

  1. Helium Migration Mechanisms in Polycrystalline Uranium Dioxide

    SciTech Connect (OSTI)

    Martin, Guillaume; Desgardin, Pierre; Sauvage, Thierry; Barthe, Marie-France; Garcia, Philippe; Carlot, Gaelle

    2007-07-01

    This study aims at identifying the release mechanisms of helium in uranium dioxide. Two sets of polycrystalline UO{sub 2} sintered samples presenting different microstructures were implanted with {sup 3}He ions at concentrations in the region of 0.1 at.%. Changes in helium concentrations were monitored using two Nuclear Reaction Analysis (NRA) techniques based on the {sup 3}He(d,{alpha}){sup 1}H reaction. {sup 3}He release is measured in-situ during sample annealing at temperatures ranging between 700 deg. C and 1000 deg. C. Accurate helium depth profiles are generated after each annealing stage. Results that provide data for further understanding helium release mechanisms are discussed. It is found that helium diffusion appears to be enhanced above 900 deg. C in the vicinity of grain boundaries possibly as a result of the presence of defects. (authors)

  2. Controlling diffusion for a self-healing radiation tolerant nanostructured ferritic alloy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Miller, Michael K.; Parish, Chad M.; Bei, Hongbin

    2014-12-18

    Diffusion plays a major role in the stability of microstructures to extreme conditions of high temperature and high doses of irradiation. In nanostructured ferritic alloys, first principle calculations indicate that the binding energy of vacancies is reduced by the presence of oxygen, titanium and yttrium atoms. Therefore, the number of free vacancies available for diffusion can be greatly reduced. The mechanical properties of these alloys, compared to traditional wrought alloys of similar composition and grain structure, is distinctly different, and the ultrafine grained alloy is distinguished by a high number density of Ti–Y–O-enriched nanoclusters and solute clusters, which drives themore » mechanical response. When a displacement cascade interacts with a nanocluster, the solute atoms are locally dispersed into the matrix by ballistic collisions, but immediately a new nanocluster reforms due to the local supersaturation of solutes and vacancies until the excess vacancies are consumed. Furthermore, the result of these processes is a structural material for advanced energy systems with a microstructure that is self-healing and tolerant to high doses of radiation and high temperatures.« less

  3. A new laboratory technique to estimate gas diffusion characteristics of coal

    SciTech Connect (OSTI)

    Harpalani, S.; Ouyang, S.

    1999-07-01

    This paper describes a new experimental technique developed to measure the diffusion coefficient (D) for a coal-methane system using the transient flow mechanism, and examine its dependency on factors that change with continued flow-pressure and gas concentration. Although developed primarily for coalbed methane reservoirs and coal in the gob regions, it also has application in situations where a second gas is injected in coal since it utilizes the principle of counter-diffusion. The results show that there is a continuous decrease in the value of D with decreasing mean concentration of methane in coal. The logarithm of D varies directly with the pressure. Two effects may be responsible for this decrease. The first is a possible change in the flow mechanism with decreasing methane concentration due to the existence of varying pore sizes in coal. The other is the volumetric strain of solid coal matrix induced by desorption of gas, the so called shrinkage effect. This matrix shrinkage may be resulting in reduced pore sizes, and consequently, a decrease in the value of D.

  4. Internal pipe attachment mechanism

    DOE Patents [OSTI]

    Bast, R.M.; Chesnut, D.A.; Henning, C.D.; Lennon, J.P.; Pastrnak, J.W.; Smith, J.A.

    1994-12-13

    An attachment mechanism is described for repairing or extending fluid carrying pipes, casings, conduits, etc. utilizing one-way motion of spring tempered fingers to provide a mechanical connection between the attachment mechanism and the pipe. The spring tempered fingers flex to permit insertion into a pipe to a desired insertion depth. The mechanical connection is accomplished by reversing the insertion motion and the mechanical leverage in the fingers forces them outwardly against the inner wall of the pipe. A seal is generated by crushing a sealing assembly by the action of setting the mechanical connection. 6 figures.

  5. Internal pipe attachment mechanism

    DOE Patents [OSTI]

    Bast, Richard M.; Chesnut, Dwayne A.; Henning, Carl D.; Lennon, Joseph P.; Pastrnak, John W.; Smith, Joseph A.

    1994-01-01

    An attachment mechanism for repairing or extending fluid carrying pipes, casings, conduits, etc. utilizing one-way motion of spring tempered fingers to provide a mechanical connection between the attachment mechanism and the pipe. The spring tempered fingers flex to permit insertion into a pipe to a desired insertion depth. The mechanical connection is accomplished by reversing the insertion motion and the mechanical leverage in the fingers forces them outwardly against the inner wall of the pipe. A seal is generated by crushing a sealing assembly by the action of setting the mechanical connection.

  6. Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-Binding Module on Cellulose

    SciTech Connect (OSTI)

    Nimlos, M. R.; Beckham, G. T.; Matthews, J. F.; Bu, L.; Himmel, M. E.; Crowley, M. F.

    2012-06-08

    Cellulase enzymes often contain carbohydrate-binding modules (CBMs) for binding to cellulose. The mechanisms by which CBMs recognize specific surfaces of cellulose and aid in deconstruction are essential to understand cellulase action. The Family 1 CBM from the Trichoderma reesei Family 7 cellobiohydrolase, Cel7A, is known to selectively bind to hydrophobic surfaces of native cellulose. It is most commonly suggested that three aromatic residues identify the planar binding face of this CBM, but several recent studies have challenged this hypothesis. Here, we use molecular simulation to study the CBM binding orientation and affinity on hydrophilic and hydrophobic cellulose surfaces. Roughly 43 {mu}s of molecular dynamics simulations were conducted, which enables statistically significant observations. We quantify the fractions of the CBMs that detach from crystal surfaces or diffuse to other surfaces, the diffusivity along the hydrophobic surface, and the overall orientation of the CBM on both hydrophobic and hydrophilic faces. The simulations demonstrate that there is a thermodynamic driving force for the Cel7A CBM to bind preferentially to the hydrophobic surface of cellulose relative to hydrophilic surfaces. In addition, the simulations demonstrate that the CBM can diffuse from hydrophilic surfaces to the hydrophobic surface, whereas the reverse transition is not observed. Lastly, our simulations suggest that the flat faces of Family 1 CBMs are the preferred binding surfaces. These results enhance our understanding of how Family 1 CBMs interact with and recognize specific cellulose surfaces and provide insights into the initial events of cellulase adsorption and diffusion on cellulose.

  7. Effect of fuel composition and differential diffusion on flame stabilization in reacting syngas jets in turbulent cross-flow

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Minamoto, Yuki; Kolla, Hemanth; Grout, Ray W.; Gruber, Andrea; Chen, Jacqueline H.

    2015-07-24

    Here, three-dimensional direct numerical simulation results of a transverse syngas fuel jet in turbulent cross-flow of air are analyzed to study the influence of varying volume fractions of CO relative to H2 in the fuel composition on the near field flame stabilization. The mean flame stabilizes at a similar location for CO-lean and CO-rich cases despite the trend suggested by their laminar flame speed, which is higher for the CO-lean condition. To identify local mixtures having favorable mixture conditions for flame stabilization, explosive zones are defined using a chemical explosive mode timescale. The explosive zones related to flame stabilization aremore » located in relatively low velocity regions. The explosive zones are characterized by excess hydrogen transported solely by differential diffusion, in the absence of intense turbulent mixing or scalar dissipation rate. The conditional averages show that differential diffusion is negatively correlated with turbulent mixing. Moreover, the local turbulent Reynolds number is insufficient to estimate the magnitude of the differential diffusion effect. Alternatively, the Karlovitz number provides a better indicator of the importance of differential diffusion. A comparison of the variations of differential diffusion, turbulent mixing, heat release rate and probability of encountering explosive zones demonstrates that differential diffusion predominantly plays an important role for mixture preparation and initiation of chemical reactions, closely followed by intense chemical reactions sustained by sufficient downstream turbulent mixing. The mechanism by which differential diffusion contributes to mixture preparation is investigated using the Takeno Flame Index. The mean Flame Index, based on the combined fuel species, shows that the overall extent of premixing is not intense in the upstream regions. However, the Flame Index computed based on individual contribution of H2 or CO species reveals that hydrogen

  8. Effect of fuel composition and differential diffusion on flame stabilization in reacting syngas jets in turbulent cross-flow

    SciTech Connect (OSTI)

    Minamoto, Yuki; Kolla, Hemanth; Grout, Ray W.; Gruber, Andrea; Chen, Jacqueline H.

    2015-07-24

    Here, three-dimensional direct numerical simulation results of a transverse syngas fuel jet in turbulent cross-flow of air are analyzed to study the influence of varying volume fractions of CO relative to H2 in the fuel composition on the near field flame stabilization. The mean flame stabilizes at a similar location for CO-lean and CO-rich cases despite the trend suggested by their laminar flame speed, which is higher for the CO-lean condition. To identify local mixtures having favorable mixture conditions for flame stabilization, explosive zones are defined using a chemical explosive mode timescale. The explosive zones related to flame stabilization are located in relatively low velocity regions. The explosive zones are characterized by excess hydrogen transported solely by differential diffusion, in the absence of intense turbulent mixing or scalar dissipation rate. The conditional averages show that differential diffusion is negatively correlated with turbulent mixing. Moreover, the local turbulent Reynolds number is insufficient to estimate the magnitude of the differential diffusion effect. Alternatively, the Karlovitz number provides a better indicator of the importance of differential diffusion. A comparison of the variations of differential diffusion, turbulent mixing, heat release rate and probability of encountering explosive zones demonstrates that differential diffusion predominantly plays an important role for mixture preparation and initiation of chemical reactions, closely followed by intense chemical reactions sustained by sufficient downstream turbulent mixing. The mechanism by which differential diffusion contributes to mixture preparation is investigated using the Takeno Flame Index. The mean Flame Index, based on the combined fuel species, shows that the overall extent of premixing is not intense in the upstream regions. However, the Flame Index computed based on individual contribution of H2 or CO species reveals that

  9. Fabrication and Design Aspects of High-Temperature Compact Diffusion Bonded Heat Exchangers

    SciTech Connect (OSTI)

    Sai K. Mylavarapu; Richard N. Christensen; Raymond R. Unocic; Richard E. Glosup; Mike W. Patterson

    2012-08-01

    mechanical property characterization studies of representative diffusion bonded Alloy 617 specimens are presented. The characterization studies are restricted and less severe from an NGNP perspective but provide sufficient confidence to ensure safe operation of the heat exchangers in the HTHF. The test results are used to determine the design operating conditions for the PCHEs fabricated.

  10. Molecular dynamics simulations of hydrogen diffusion in aluminum

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhou, X. W.; El Gabaly, F.; Stavila, V.; Allendorf, M. D.

    2016-03-23

    In this study, hydrogen diffusion impacts the performance of solid-state hydrogen storage materials and contributes to the embrittlement of structural materials under hydrogen-containing environments. In atomistic simulations, the diffusion energy barriers are usually calculated using molecular statics simulations where a nudged elastic band method is used to constrain a path connecting the two end points of an atomic jump. This approach requires prior knowledge of the “end points”. For alloy and defective systems, the number of possible atomic jumps with respect to local atomic configurations is tremendous. Even when these jumps can be exhaustively studied, it is still unclear howmore » they can be combined to give an overall diffusion behavior seen in experiments. Here we describe the use of molecular dynamics simulations to determine the overall diffusion energy barrier from the Arrhenius equation. This method does not require information about atomic jumps, and it has additional advantages, such as the ability to incorporate finite temperature effects and to determine the pre-exponential factor. As a test case for a generic method, we focus on hydrogen diffusion in bulk aluminum. We find that the challenge of this method is the statistical variation of the results. However, highly converged energy barriers can be achieved by an appropriate set of temperatures, output time intervals (for tracking hydrogen positions), and a long total simulation time. Our results help elucidate the inconsistencies of the experimental diffusion data published in the literature. The robust approach developed here may also open up future molecular dynamics simulations to rapidly study diffusion properties of complex material systems in multidimensional spaces involving composition and defects.« less

  11. Diffusion-controlled reactions modeling in Geant4-DNA

    SciTech Connect (OSTI)

    Karamitros, M.; Luan, S.; Bernal, M.A.; Allison, J.; Baldacchino, G.; Davidkova, M.; Francis, Z.; Friedland, W.; Ivantchenko, V.; Ivantchenko, A.; Mantero, A.; Nieminem, P.; Santin, G.; Tran, H.N.; Stepan, V.; Incerti, S.

    2014-10-01

    Context Under irradiation, a biological system undergoes a cascade of chemical reactions that can lead to an alteration of its normal operation. There are different types of radiation and many competing reactions. As a result the kinetics of chemical species is extremely complex. The simulation becomes then a powerful tool which, by describing the basic principles of chemical reactions, can reveal the dynamics of the macroscopic system. To understand the dynamics of biological systems under radiation, since the 80s there have been on-going efforts carried out by several research groups to establish a mechanistic model that consists in describing all the physical, chemical and biological phenomena following the irradiation of single cells. This approach is generally divided into a succession of stages that follow each other in time: (1) the physical stage, where the ionizing particles interact directly with the biological material; (2) the physico-chemical stage, where the targeted molecules release their energy by dissociating, creating new chemical species; (3) the chemical stage, where the new chemical species interact with each other or with the biomolecules; (4) the biological stage, where the repairing mechanisms of the cell come into play. This article focuses on the modeling of the chemical stage. Method This article presents a general method of speeding-up chemical reaction simulations in fluids based on the Smoluchowski equation and Monte-Carlo methods, where all molecules are explicitly simulated and the solvent is treated as a continuum. The model describes diffusion-controlled reactions. This method has been implemented in Geant4-DNA. The keys to the new algorithm include: (1) the combination of a method to compute time steps dynamically with a Brownian bridge process to account for chemical reactions, which avoids costly fixed time step simulations; (2) a kd tree data structure for quickly locating, for a given molecule, its closest reactants. The

  12. HYDRAULIC SERVO CONTROL MECHANISM

    DOE Patents [OSTI]

    Hussey, R.B.; Gottsche, M.J. Jr.

    1963-09-17

    A hydraulic servo control mechanism of compact construction and low fluid requirements is described. The mechanism consists of a main hydraulic piston, comprising the drive output, which is connected mechanically for feedback purposes to a servo control piston. A control sleeve having control slots for the system encloses the servo piston, which acts to cover or uncover the slots as a means of controlling the operation of the system. This operation permits only a small amount of fluid to regulate the operation of the mechanism, which, as a result, is compact and relatively light. This mechanism is particuiarly adaptable to the drive and control of control rods in nuclear reactors. (auth)

  13. Basic Studies of Non-Diffusive Transport in Plasmas

    SciTech Connect (OSTI)

    Morales, George J.; Maggs, James E.

    2014-10-25

    The project expanded and developed mathematical descriptions, and corresponding numerical modeling, of non-diffusive transport to incorporate new perspectives derived from basic transport experiments performed in the LAPD device at UCLA, and at fusion devices throughout the world. By non-diffusive it is meant that the transport of fundamental macroscopic parameters of a system, such as temperature and density, does not follow the standard diffusive behavior predicted by a classical Fokker-Planck equation. The appearance of non-diffusive behavior is often related to underlying microscopic processes that cause the value of a system parameter, at one spatial position, to be linked to distant events, i.e., non-locality. In the LAPD experiments the underlying process was traced to large amplitude, coherent drift-waves that give rise to chaotic trajectories. Significant advances were made in this project. The results have lead to a new perspective about the fundamentals of edge transport in magnetically confined plasmas; the insight has important consequences for worldwide studies in fusion devices. Progress was also made in advancing the mathematical techniques used to describe fractional diffusion.

  14. Test Program for High Efficiency Gas Turbine Exhaust Diffuser

    SciTech Connect (OSTI)

    Norris, Thomas R.

    2009-12-31

    This research relates to improving the efficiency of flow in a turbine exhaust, and thus, that of the turbine and power plant. The Phase I SBIR project demonstrated the technical viability of “strutlets” to control stalls on a model diffuser strut. Strutlets are a novel flow-improving vane concept intended to improve the efficiency of flow in turbine exhausts. Strutlets can help reduce turbine back pressure, and incrementally improve turbine efficiency, increase power, and reduce greenhouse gas emmission. The long-term goal is a 0.5 percent improvement of each item, averaged over the US gas turbine fleet. The strutlets were tested in a physical scale model of a gas turbine exhaust diffuser. The test flow passage is a straight, annular diffuser with three sets of struts. At the end of Phase 1, the ability of strutlets to keep flow attached to struts was demonstrated, but the strutlet drag was too high for a net efficiency advantage. An independently sponsored followup project did develop a highly-modified low-drag strutlet. In combination with other flow improving vanes, complicance to the stated goals was demonstrated for for simple cycle power plants, and to most of the goals for combined cycle power plants using this particular exhaust geometry. Importantly, low frequency diffuser noise was reduced by 5 dB or more, compared to the baseline. Appolicability to other diffuser geometries is yet to be demonstrated.

  15. Portsmouth Gaseous Diffusion Plant- Quadrant I Groundwater Investigative (5-Unit) Area Plume

    Broader source: Energy.gov [DOE]

    Groundwater Database Report - Portsmouth Gaseous Diffusion Plant - Quadrant I Groundwater Investigative (5-Unit) Area Plume

  16. ARM: SIRS: derived, correction of downwelling shortwave diffuse hemispheric measurements using Dutton and full algorithm

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Laura Riihimaki

    1997-03-21

    SIRS: derived, correction of downwelling shortwave diffuse hemispheric measurements using Dutton and full algorithm

  17. Mechanical seal assembly

    DOE Patents [OSTI]

    Kotlyar, Oleg M.

    2001-01-01

    An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transferring it to the mechanical diode.

  18. Mechanical seal assembly

    DOE Patents [OSTI]

    Kotlyar, Oleg M.

    2002-01-01

    An improved mechanical seal assembly is provided for sealing rotating shafts with respect to their shaft housings, wherein the rotating shafts are subject to substantial axial vibrations. The mechanical seal assembly generally includes a rotating sealing ring fixed to the shaft, a non-rotating sealing ring adjacent to and in close contact with the rotating sealing ring for forming an annular seal about the shaft, and a mechanical diode element that applies a biasing force to the non-rotating sealing ring by means of hemispherical joint. The alignment of the mechanical diode with respect to the sealing rings is maintained by a series of linear bearings positioned axially along a desired length of the mechanical diode. Alternative embodiments include mechanical or hydraulic amplification components for amplifying axial displacement of the non-rotating sealing ring and transfering it to the mechanical diode.

  19. Configurational diffusion of asphaltenes in fresh and aged catalysts extrudates

    SciTech Connect (OSTI)

    Guin, J.A.; Tarrer, A.R.

    1992-01-01

    The objective of this research is to determine the relationship between the size and shape of coal and petroleum macromolecules and their diffusion rates i.e., effective diffusivities, in catalyst pore structures. That is, how do the effective intrapore diffusivities depend on molecule configuration and pore geometry. Based on the work done, the following conclusions can be drawn: The intrapore diffusional model can be set up mathematically based on certain assumptions, and the mathematical model can be solved numberically; the numerical solution discussed in this quarterly report can be used for typical situations given suitable values for parameters E, R and n; comparison with known solutions for special cases shows the numerical solution to be accurate.

  20. Josephson phase diffusion in the superconducting quantum interference device ratchet

    SciTech Connect (OSTI)

    Spiechowicz, Jakub; Łuczka, Jerzy

    2015-05-15

    We study diffusion of the Josephson phase in the asymmetric superconducting quantum interference device (SQUID) subjected to a time-periodic current and pierced by an external magnetic flux. We analyze a relation between phase diffusion and quality of transport characterized by the dc voltage across the SQUID and efficiency of the device. In doing so, we concentrate on the previously reported regime [J. Spiechowicz and J. Łuczka, New J. Phys. 17, 023054 (2015)] for which efficiency of the SQUID attains a global maximum. For long times, the mean-square displacement of the phase is a linear function of time, meaning that diffusion is normal. Its coefficient is small indicating rather regular phase evolution. However, it can be magnified several times by tailoring experimentally accessible parameters like amplitudes of the ac current or external magnetic flux. Finally, we prove that in the deterministic limit this regime is essentially non-chaotic and possesses an unexpected simplicity of attractors.

  1. Characterization and modeling of thermal diffusion and aggregation in nanofluids.

    SciTech Connect (OSTI)

    Gharagozloo, Patricia E.; Goodson, Kenneth E.

    2010-05-01

    Fluids with higher thermal conductivities are sought for fluidic cooling systems in applications including microprocessors and high-power lasers. By adding high thermal conductivity nanoscale metal and metal oxide particles to a fluid the thermal conductivity of the fluid is enhanced. While particle aggregates play a central role in recent models for the thermal conductivity of nanofluids, the effect of particle diffusion in a temperature field on the aggregation and transport has yet to be studied in depth. The present work separates the effects of particle aggregation and diffusion using parallel plate experiments, infrared microscopy, light scattering, Monte Carlo simulations, and rate equations for particle and heat transport in a well dispersed nanofluid. Experimental data show non-uniform temporal increases in thermal conductivity above effective medium theory and can be well described through simulation of the combination of particle aggregation and diffusion. The simulation shows large concentration distributions due to thermal diffusion causing variations in aggregation, thermal conductivity and viscosity. Static light scattering shows aggregates form more quickly at higher concentrations and temperatures, which explains the increased enhancement with temperature reported by other research groups. The permanent aggregates in the nanofluid are found to have a fractal dimension of 2.4 and the aggregate formations that grow over time are found to have a fractal dimension of 1.8, which is consistent with diffusion limited aggregation. Calculations show as aggregates grow the viscosity increases at a faster rate than thermal conductivity making the highly aggregated nanofluids unfavorable, especially at the low fractal dimension of 1.8. An optimum nanoparticle diameter for these particular fluid properties is calculated to be 130 nm to optimize the fluid stability by reducing settling, thermal diffusion and aggregation.

  2. Self-Diffusion in a Liquid Complex Plasma

    SciTech Connect (OSTI)

    Nunomura, S.; Samsonov, D.; Zhdanov, S.; Morfill, G.

    2006-01-13

    Self-diffusion has been experimentally studied in a two-dimensional underdamped liquid complex (dusty) plasma. It was found that the self-diffusion coefficient D increases linearly with the temperature T: D/{omega}{sub E}a{sup 2}=(0.019{+-}0.007)(T/T{sub m}-1), where T{sub m}, {omega}{sub E}, and a are the melting temperature, the Einstein frequency, and the mean particle separation, respectively. No superdiffusion was observed, whereas a subdiffusion occurred at temperatures close to melting.

  3. Effects of surface diffusion on high temperature selective emitters

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Peykov, Daniel; Yeng, Yi Xiang; Celanovic, Ivan; Joannopoulos, John D.; Schuh, Christopher A.

    2015-01-01

    Using morphological and optical simulations of 1D tantalum photonic crystals at 1200K, surface diffusion was determined to gradually reduce the efficiency of selective emitters. This was attributed to shifting resonance peaks and declining emissivity caused by changes to the cavity dimensions and the aperture width. Decreasing the structures curvature through larger periods and smaller cavity widths, as well as generating smoother transitions in curvature through the introduction of rounded cavities, was found to alleviate this degradation. An optimized structure, that shows both high efficiency selective emissivity and resistance to surface diffusion, was presented.

  4. Computational Structural Mechanics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    load-2 TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Computational Structural Mechanics Overview of CSM Computational structural mechanics is a well-established methodology for the design and analysis of many components and structures found in the transportation field. Modern finite-element models (FEMs) play a major role in these evaluations, and sophisticated software, such as the commercially available LS-DYNA® code, is

  5. Determination of Mechanical Properties

    Office of Scientific and Technical Information (OSTI)

    ... Monofilament Laminates," paper 61-AV56 presented at American Society of Mechanical Engineers Aviation Conference, Los Angeles, California (March 1961). 21. G. S. Springer and s. ...

  6. Monroe Thomas, Mechanical Technician

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    and endstation moves. Though he's training another mechanical technician to operate the crane, it's Monroe who is called upon for critical moves. He plays a key role in...

  7. Heavy Mobile Equipment Mechanic

    Broader source: Energy.gov [DOE]

    Join the Bonneville Power Administration (BPA) for a challenging and rewarding career, while working, living, and playing in the Pacific Northwest. The Heavy Mobile Equipment Mechanic (HMEM)...

  8. The heat released during catalytic turnover enhances the diffusion of an enzyme

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Riedel, Clement; Gabizon, Ronen; Wilson, Christian A. M.; Hamadani, Kambiz; Tsekouras, Konstantinos; Marqusee, Susan; Pressé, Steve; Bustamante, Carlos

    2014-12-10

    Recent studies have shown that the diffusivity of enzymes increases in a substrate-dependent manner during catalysis. Although this observation has been reported and characterized for several different systems, the precise origin of this phenomenon is unknown. Calorimetric methods are often used to determine enthalpies from enzyme-catalysed reactions and can therefore provide important insight into their reaction mechanisms. The ensemble averages involved in traditional bulk calorimetry cannot probe the transient effects that the energy exchanged in a reaction may have on the catalyst. Here we obtain single-molecule fluorescence correlation spectroscopy data and analyse them within the framework of a stochastic theorymore » to demonstrate a mechanistic link between the enhanced diffusion of a single enzyme molecule and the heat released in the reaction. We propose that the heat released during catalysis generates an asymmetric pressure wave that results in a differential stress at the protein-solvent interface that transiently displaces the centre-of-mass of the enzyme (chemoacoustic effect). We find this novel perspective on how enzymes respond to the energy released during catalysis suggests a possible effect of the heat of reaction on the structural integrity and internal degrees of freedom of the enzyme.« less

  9. Fabrication of fine-grain tantalum diffusion barrier tube for Nb{sub 3}Sn conductors

    SciTech Connect (OSTI)

    Hartwig, K. T.; Balachandran, S.; Mezyenski, R.; Seymour, N.; Robinson, J.; Barber, R. E.

    2014-01-27

    Diffusion barriers used in Nb{sub 3}Sn wire are often fabricated by wrapping Ta sheet into a tube with an overlap seam. A common result of such practice is non-uniform deformation in the Ta sheet as it thins by wire drawing because of non-uniform grain size and texture in the original Ta sheet. Seamless Ta tube with a fine-grain and uniform microstructure would be much better for the diffusion barrier application, but such material is expensive and difficult to manufacture. This report presents results on a new fabrication strategy for Ta tube that shows promise for manufacture of less costly tube with an improved microstructure. The fabrication method begins with seam-welded tube but gives a fine-grain uniform microstructure with little difference between the longitudinal seam weld region and the parent metal after post-weld processing. Severe plastic deformation processing (SPD) applied by area reduction extrusion and tube equal channel angular extrusion (tECAE) are used to refine and homogenize the microstructure. Microstructure and mechanical property results are presented for Ta tubes fabricated by this new processing strategy.

  10. Multiscale framework for predicting the coupling between deformation and fluid diffusion in porous rocks

    SciTech Connect (OSTI)

    Andrade, José E; Rudnicki, John W

    2012-12-14

    In this project, a predictive multiscale framework will be developed to simulate the strong coupling between solid deformations and fluid diffusion in porous rocks. We intend to improve macroscale modeling by incorporating fundamental physical modeling at the microscale in a computationally efficient way. This is an essential step toward further developments in multiphysics modeling, linking hydraulic, thermal, chemical, and geomechanical processes. This research will focus on areas where severe deformations are observed, such as deformation bands, where classical phenomenology breaks down. Multiscale geometric complexities and key geomechanical and hydraulic attributes of deformation bands (e.g., grain sliding and crushing, and pore collapse, causing interstitial fluid expulsion under saturated conditions), can significantly affect the constitutive response of the skeleton and the intrinsic permeability. Discrete mechanics (DEM) and the lattice Boltzmann method (LBM) will be used to probe the microstructure---under the current state---to extract the evolution of macroscopic constitutive parameters and the permeability tensor. These evolving macroscopic constitutive parameters are then directly used in continuum scale predictions using the finite element method (FEM) accounting for the coupled solid deformation and fluid diffusion. A particularly valuable aspect of this research is the thorough quantitative verification and validation program at different scales. The multiscale homogenization framework will be validated using X-ray computed tomography and 3D digital image correlation in situ at the Advanced Photon Source in Argonne National Laboratories. Also, the hierarchical computations at the specimen level will be validated using the aforementioned techniques in samples of sandstone undergoing deformation bands.

  11. Application of Perona Malik anisotropic diffusion on digital radiographic image

    SciTech Connect (OSTI)

    Halim, Suhaila Abd; Razak, Rohayu Abdul; Ibrahim, Arsmah; Manurung, Yupiter HP

    2014-07-10

    Perona Malik Anisotropic Diffusion (PMAD) is a very useful and efficient denoising technique if the parameters are properly selected. Overestimating the parameters may cause oversmoothed and underestimating it may leave unfiltered noise. This makes the selection of parameters a crucial process. In this paper the PMAD model is solved using a finite difference scheme The discretized model is evaluated using different diffusion coefficient of exponential and quadratic on defective radiographic images in terms of quality and efficiency. In the application of the PMAD model on image data, a set of defective radiographic images of welding is used as input data. Peak Signal to Noise Ratio (PSNR), Structural Similarity Measure (SSIM) and temporal time are used to evaluate the performance of the model. The implementation of the experiment has been carried out using MATLAB R2009a. In terms of quality, results show that the Quadratic Diffusion Coefficient Function (QDCF) provides better results compared with the Exponential Diffusion Coefficient Function (EDCF). In conclusion, the denoising effect using PMAD model based on finite difference scheme shows able to improve image quality by removing noise in the defective radiographic image.

  12. Microstructural Evolution and interfacial motion in systems with diffusion barriers

    SciTech Connect (OSTI)

    Perry H. Leo

    2009-03-05

    This research program was designed to model and simulate phase transformations in systems containing diffusion barriers. The modeling work included mass flow, phase formation, and microstructural evolution in interdiffusing systems. Simulation work was done by developing Cahn-Hilliard and phase field equations governing both the temporal and spatial evolution of the composition and deformation fields and other important phase variables.

  13. Estimation of diffuse from measured global solar radiation

    SciTech Connect (OSTI)

    Moriarty, W.W. )

    1991-01-01

    A data set of quality controlled radiation observations from stations scattered throughout Australia was formed and further screened to remove residual doubtful observations. It was then divided into groups by solar elevation, and used to find average relationships for each elevation group between relative global radiation (clearness index - the measured global radiation expressed as a proportion of the radiation on a horizontal surface at the top of the atmosphere) and relative diffuse radiation. Clear-cut relationships were found, which were then fitted by polynomial expressions giving the relative diffuse radiation as a function of relative global radiation and solar elevation. When these expressions were used to estimate the diffuse radiation from the global, the results had a slightly smaller spread of errors than those from an earlier technique given by Spencer. It was found that the errors were related to cloud amount, and further relationships were developed giving the errors as functions of global radiation, solar elevation, and the fraction of sky obscured by high cloud and by opaque (low and middle level) cloud. When these relationships were used to adjust the first estimates of diffuse radiation, there was a considerable reduction in the number of large errors.

  14. Energetics of melts from thermal diffusion studies. Final report

    SciTech Connect (OSTI)

    Lesher, C.E.

    1998-12-01

    Most processes in geology are a consequence at some level of the flow of energy or mass. Heat conduction and chemical diffusion are examples of two of these sorts of flows which are driven by temperature and chemical potential imbalances, respectively. In the general case these flows may be coupled so that, for instance, a temperature gradient may result in a flow of mass as well as heat. This effect in liquids was demonstrated by Soret (1879) and bears his name. In gases or solids the phenomenon is given the general name thermal diffusion. It was the purpose of this research program to examine the Soret effect in molten silicates under laboratory conditions. Results of these experiments are used to evaluate the form and quantitative values of many thermodynamic and kinetic properties of silicate melts over a range of temperature, pressure, and bulk composition. The author published a comprehensive review and synthesis with a microscopic theoretical explanation for the effect at low pressure in silicate liquids of geological interest. He conducted experimental investigations of molecular diffusion in the absence of a thermal gradient through experiments involving dissolution of solid silicates in molten silicate and interdiffusion of species between miscible silicate liquids. Collectively these results enable the author to construct a more comprehensive model of molecular diffusion in magmatic liquids. He has applied this model to problems of magma mixing and crustal assimilation.

  15. Mechanical code comparator

    DOE Patents [OSTI]

    Peter, Frank J.; Dalton, Larry J.; Plummer, David W.

    2002-01-01

    A new class of mechanical code comparators is described which have broad potential for application in safety, surety, and security applications. These devices can be implemented as micro-scale electromechanical systems that isolate a secure or otherwise controlled device until an access code is entered. This access code is converted into a series of mechanical inputs to the mechanical code comparator, which compares the access code to a pre-input combination, entered previously into the mechanical code comparator by an operator at the system security control point. These devices provide extremely high levels of robust security. Being totally mechanical in operation, an access control system properly based on such devices cannot be circumvented by software attack alone.

  16. Markov Jump Processes Approximating a Non-Symmetric Generalized Diffusion

    SciTech Connect (OSTI)

    Limic, Nedzad

    2011-08-15

    Consider a non-symmetric generalized diffusion X( Dot-Operator ) in Double-Struck-Capital-R {sup d} determined by the differential operator A(x) = -{Sigma}{sub ij} {partial_derivative}{sub i}a{sub ij}(x){partial_derivative}{sub j} + {Sigma}{sub i} b{sub i}(x){partial_derivative}{sub i}. In this paper the diffusion process is approximated by Markov jump processes X{sub n}( Dot-Operator ), in homogeneous and isotropic grids G{sub n} Subset-Of Double-Struck-Capital-R {sup d}, which converge in distribution in the Skorokhod space D([0,{infinity}), Double-Struck-Capital-R {sup d}) to the diffusion X( Dot-Operator ). The generators of X{sub n}( Dot-Operator ) are constructed explicitly. Due to the homogeneity and isotropy of grids, the proposed method for d{>=}3 can be applied to processes for which the diffusion tensor {l_brace}a{sub ij}(x){r_brace}{sub 11}{sup dd} fulfills an additional condition. The proposed construction offers a simple method for simulation of sample paths of non-symmetric generalized diffusion. Simulations are carried out in terms of jump processes X{sub n}( Dot-Operator ). For piece-wise constant functions a{sub ij} on Double-Struck-Capital-R {sup d} and piece-wise continuous functions a{sub ij} on Double-Struck-Capital-R {sup 2} the construction and principal algorithm are described enabling an easy implementation into a computer code.

  17. Effect of thermo-mechanical treatment on mechanical and elastic...

    Office of Scientific and Technical Information (OSTI)

    Effect of thermo-mechanical treatment on mechanical and elastic properties of Ti-36Nb-5Zr alloy Title: Effect of thermo-mechanical treatment on mechanical and elastic properties of ...

  18. Analysis and experimental study on formation conditions of large-scale barrier-free diffuse atmospheric pressure air plasmas in repetitive pulse mode

    SciTech Connect (OSTI)

    Li, Lee Liu, Lun; Liu, Yun-Long; Bin, Yu; Ge, Ya-Feng; Lin, Fo-Chang

    2014-01-14

    Atmospheric air diffuse plasmas have enormous application potential in various fields of science and technology. Without dielectric barrier, generating large-scale air diffuse plasmas is always a challenging issue. This paper discusses and analyses the formation mechanism of cold homogenous plasma. It is proposed that generating stable diffuse atmospheric plasmas in open air should meet the three conditions: high transient power with low average power, excitation in low average E-field with locally high E-field region, and multiple overlapping electron avalanches. Accordingly, an experimental configuration of generating large-scale barrier-free diffuse air plasmas is designed. Based on runaway electron theory, a low duty-ratio, high voltage repetitive nanosecond pulse generator is chosen as a discharge excitation source. Using the wire-electrodes with small curvature radius, the gaps with highly non-uniform E-field are structured. Experimental results show that the volume-scaleable, barrier-free, homogeneous air non-thermal plasmas have been obtained between the gap spacing with the copper-wire electrodes. The area of air cold plasmas has been up to hundreds of square centimeters. The proposed formation conditions of large-scale barrier-free diffuse air plasmas are proved to be reasonable and feasible.

  19. Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

    SciTech Connect (OSTI)

    Kwong, S.; Jivkov, A.P.

    2012-07-01

    disposal system to evolve in a physically realistic manner. In the example presented the reactive-transport coupling develops chemically reducing zones, which limit the transport of uranium. This illustrates the potential significance of media degradation and chemical effect on the transport of radionuclides which would need to be taken into account when examining the long-term behaviour and containment properties of the geological disposal system. Microstructure-informed modelling and its potential linkage with continuum flow modelling is a subject of ongoing studies. The approach of microstructure-informed modelling is discussed to provide insight and a mechanistic understanding of macroscopic parameters and their evolution. The proposed theoretical and methodological basis for microstructure-informed modelling of porous quasi-brittle media has the potential to develop into an explanatory and predictive tool for deriving mechanism-based, as opposed to phenomenological, evolution laws for macroscopic properties. These concepts in micro-scale modelling are likely to be applicable to the diffusion process, in addition to advective transport illustrated here for porous media. (authors)

  20. Observation and interpretation of energy efficient, diffuse direct current glow discharge at atmospheric pressure

    SciTech Connect (OSTI)

    Tang, Jie Jiang, Weiman; Wang, Yishan; Zhao, Wei; Li, Jing; Duan, Yixiang

    2015-08-24

    A diffuse direct-current glow discharge was realized with low energy consumption and high energy utilization efficiency at atmospheric pressure. The formation of diffuse discharge was demonstrated by examining and comparing the electrical properties and optical emissions of plasmas. In combination with theoretical derivation and calculation, we draw guidelines that appearance of nitrogen ions at low electron density is crucial to enhance the ambipolar diffusion for the expansion of discharge channel and the increasing ambipolar diffusion near the cathode plays a key role in the onset of diffuse discharge. An individual-discharge-channel expansion model is proposed to explain the diffuse discharge formation.

  1. Electronic door locking mechanism

    DOE Patents [OSTI]

    Williams, Gary Lin; Kirby, Patrick Gerald

    1997-01-01

    The invention is a motorized linkage for engaging a thumb piece in a door mechanism. The device has an exterior lock assembly with a small battery cell and combination lock. Proper entry by a user of a security code allows the battery to operate a small motor within the exterior lock assembly. The small motor manipulates a cam-plunger which moves an actuator pin into a thumb piece. The user applies a force on to the thumb piece. This force is transmitted by the thumb piece to a latch engagement mechanism by the actuator pin. The latch engagement mechanism operates the door latch.

  2. Electronic door locking mechanism

    DOE Patents [OSTI]

    Williams, G.L.; Kirby, P.G.

    1997-10-21

    The invention is a motorized linkage for engaging a thumb piece in a door mechanism. The device has an exterior lock assembly with a small battery cell and combination lock. Proper entry by a user of a security code allows the battery to operate a small motor within the exterior lock assembly. The small motor manipulates a cam-plunger which moves an actuator pin into a thumb piece. The user applies a force on to the thumb piece. This force is transmitted by the thumb piece to a latch engagement mechanism by the actuator pin. The latch engagement mechanism operates the door latch. 6 figs.

  3. Rotary mechanical latch

    SciTech Connect (OSTI)

    Spletzer, Barry L.; Martinez, Michael A.; Marron, Lisa C.

    2012-11-13

    A rotary mechanical latch for positive latching and unlatching of a rotary device with a latchable rotating assembly having a latching gear that can be driven to latched and unlatched states by a drive mechanism such as an electric motor. A cam arm affixed to the latching gear interfaces with leading and trailing latch cams affixed to a flange within the drive mechanism. The interaction of the cam arm with leading and trailing latch cams prevents rotation of the rotating assembly by external forces such as those due to vibration or tampering.

  4. Roles of Vacancy/Interstitial Diffusion and Segregation in the Microchemistry at Grain Boundaries of Irradiated Fe-Cr-Ni alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yang, Ying; Field, Kevin G.; Allen, Todd R.; Busby, Jeremy T.

    2016-02-23

    A detailed analysis of the diffusion fluxes near and at grain boundaries of irradiated Fe–Cr–Ni alloys, induced by preferential atom-vacancy and atom-interstitial coupling, is presented. The diffusion flux equations were based on the Perks model formulated through the linear theory of the thermodynamics of irreversible processes. The preferential atom-vacancy coupling was described by the mobility model, whereas the preferential atom-interstitial coupling was described by the interstitial binding model. The composition dependence of the thermodynamic factor was modeled using the CALPHAD approach. The calculated fluxes up to 10 dpa suggested the dominant diffusion mechanism for chromium and iron is via vacancy,more » while that for nickel can swing from the vacancy to the interstitial dominant mechanism. The diffusion flux in the vicinity of a grain boundary was found to be greatly modified by the segregation induced by irradiation, leading to the oscillatory behavior of alloy compositions in this region.« less

  5. Thermal battery degradation mechanisms

    SciTech Connect (OSTI)

    Missert, Nancy A.; Brunke, Lyle Brent

    2015-09-01

    Diffuse reflectance IR spectroscopy (DRIFTS) was used to investigate the effect of accelerated aging on LiSi based anodes in simulated MC3816 batteries. DRIFTS spectra showed that the oxygen, carbonate, hydroxide and sulfur content of the anodes changes with aging times and temperatures, but not in a monotonic fashion that could be correlated to phase evolution. Bands associated with sulfur species were only observed in anodes taken from batteries aged in wet environments, providing further evidence for a reaction pathway facilitated by H2S transport from the cathode, through the separator, to the anode. Loss of battery capacity with accelerated aging in wet environments was correlated to loss of FeS2 in the catholyte pellets, suggesting that the major contribution to battery performance degradation results from loss of active cathode material.

  6. An investigation of the desorption of hydrogen from lithium oxide using temperature programmed desorption and diffuse reflectance infrared spectroscopy

    SciTech Connect (OSTI)

    Kopasz, J.P.; Johnson, C.E.; Ortiz-Villafuerte, J.

    1994-09-01

    The addition of hydrogen to the purge stream has been shown to enhance tritium release from ceramic breeder materials. In an attempt to determine the mechanism for this enhancement the authors have investigated the adsorption and desorption of hydrogen and water from lithium oxide (a leading candidate for the breeder material) by temperature programmed desorption and diffuse reflectance infrared spectroscopy. The results from these studies indicate that several different types of hydroxide groups are formed on the lithium oxide surface. They also suggest that under certain conditions hydride species form on the surface. The role of these species in tritium release from lithium oxide is discussed.

  7. ELECTROMAGNETIC RELEASE MECHANISM

    DOE Patents [OSTI]

    Michelson, C.

    1960-09-13

    An electromagnetic release mechanism is offered that may be used, for example, for supporting a safety rod for a nuclear reactor. The release mechanism is designed to have a large excess holding force and a rapid, uniform, and dependable release. The fast release is accomplished by providing the electromagnet with slotttd polts separated by an insulating potting resin, and by constructing the poles with a ferro-nickel alloy. The combination of these two features materially reduces the eddy current power density whenever the magnetic field changes during a release operation. In addition to these features, the design of the armature is such as to provide ready entrance of fluid into any void that might tend to form during release of the armature. This also improves the release time for the mechanism. The large holding force for the mechanism is accomplished by providing a small, selected, uniform air gap between the inner pole piece and the armature.

  8. Failure mechanisms in MEMS.

    SciTech Connect (OSTI)

    Walraven, Jeremy Allen

    2003-07-01

    MEMS components by their very nature have different and unique failure mechanisms than their macroscopic counterparts. This paper discusses failure mechanisms observed in various MEMS components and technologies. MEMS devices fabricated using bulk and surface micromachining process technologies are emphasized. MEMS devices offer uniqueness in their application, fabrication, and functionality. Their uniqueness creates various failure mechanisms not typically found in their bulk or IC counterparts. In ICs, electrical precautions are taken to mitigate failure. In MEMS, both electrical and mechanical precautions must be enacted to reduce the risk of failure and increased reliability. Unlike ICs, many MEMS components are designed to interact with their environment, making the fabrication, testing, and packaging processes critical for the success of the device.

  9. Renewable Auction Mechanism (RAM)

    Broader source: Energy.gov [DOE]

    The Renewable Auction Mechanism (RAM) was approved by the California Public Utilities Commission (CPUC) in December 2010 with a goal of installing 1,500 megawatts (MW) of new distributed generation...

  10. Mechanical Systems Qualification Standard

    Broader source: Energy.gov (indexed) [DOE]

    ... the safety and health fundamentals of mechanical systems ... Engineering; DOE O 420.1B, Facility Safety; DOE G 430.1-1, Chapter 23: Life-Cycle Cost Estimate; DOE G 433.1-1, Nuclear ...

  11. Phase Field Fracture Mechanics.

    SciTech Connect (OSTI)

    Robertson, Brett Anthony

    2015-11-01

    For this assignment, a newer technique of fracture mechanics using a phase field approach, will be examined and compared with experimental data for a bend test and a tension test. The software being used is Sierra Solid Mechanics, an implicit/explicit finite element code developed at Sandia National Labs in Albuquerque, New Mexico. The bend test experimental data was also obtained at Sandia Labs while the tension test data was found in a report online from Purdue University.

  12. REACTOR CONTROL MECHANISM

    DOE Patents [OSTI]

    Lane, J.A.; Engberg, R.E.; Welch, J.M.

    1959-05-12

    A quick-releasing mechanism is described which may be used to rapidiy drop a device supported from beneath during normal use, such as a safety rod in a nuclear reactor. In accordance with this invention an electrical control signal, such as may be provided by radiation detection or other alarm condition sensing devices, is delivered to an electromagnetic solenoid, the armature of which is coupled to an actuating mechanism. The solenoid is energized when the mechanism is in its upper or cocked position. In such position, the mechanism engages a plurality of retaining balls, forcing them outward into engagement with a shoulder or recess in a corresponding section of a tubular extension on the upheld device. When the control signal to the solenoid suddenly ceases, the armature drops out, allowing the actuating mechanism to move slightly but rapidly under the force of a compressed spring. The weight of the device will urge the balls inward against a beveled portion of the actuating mechanism and away from the engaging section on the tubular extension, thus allowing the upheld device to fall freely under the influence of gravity.

  13. Complex statistics and diffusion in nonlinear disordered particle chains

    SciTech Connect (OSTI)

    Antonopoulos, Ch. G.; Bountis, T.; Skokos, Ch.; Drossos, L.

    2014-06-15

    We investigate dynamically and statistically diffusive motion in a Klein-Gordon particle chain in the presence of disorder. In particular, we examine a low energy (subdiffusive) and a higher energy (self-trapping) case and verify that subdiffusive spreading is always observed. We then carry out a statistical analysis of the motion, in both cases, in the sense of the Central Limit Theorem and present evidence of different chaos behaviors, for various groups of particles. Integrating the equations of motion for times as long as 10{sup 9}, our probability distribution functions always tend to Gaussians and show that the dynamics does not relax onto a quasi-periodic Kolmogorov-Arnold-Moser torus and that diffusion continues to spread chaotically for arbitrarily long times.

  14. Zinc deposition in acid lakes: the role of diffusion

    SciTech Connect (OSTI)

    Carignan, R.; Tessier, A.

    1985-06-28

    Steep negative concentration gradients of dissolved zinc are present between the overlying waters and the anoxic pore waters of two acid lakes. In the anoxic pore waters, the low zinc concentrations can be explained as due to the formation of relatively insoluble zinc sulfide minerals. Downward diffusive fluxes of dissolved zinc account for at least 50 to 75% of the recent zinc deposition to the sediments of these lakes. This downward diffusion occurs to a depth of 2 to 3 centimeters below the sediment water interface, where pronounced maxima in total zinc are observed. These subsurface peaks in total zinc have been interpreted as an indication of recent lake acidification. The present observations indicate that such subsurface peaks may also result from a diagenetic activity unrelated to recent changes in lake acidity. 22 references, 1 figure, 2 tables.

  15. Paducah Gaseous Diffusion Plant environmental report for 1992

    SciTech Connect (OSTI)

    Horak, C.M.

    1993-09-01

    This two-part report, Paducah Gaseous Diffusion Plant Environmental Report for 1992, is published annually. It reflects the results of an environmental monitoring program designed to quantify potential increases in the concentration of contaminants and potential doses to the resident human population. The Paducah Gaseous Diffusion Plant (PGDP) overall goal for environmental management is to protect the environment and PGDP`s neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, reduce the generation of waste, and minimize hazardous waste by substitution of materials.

  16. Paducah Gaseous Diffusion Plant Environmental report for 1990

    SciTech Connect (OSTI)

    Counce-Brown, D.

    1991-09-01

    This two-part report, Paducah Gaseous Diffusion Plant Site Environmental Report for 1990, is published annually. It reflects the results of a comprehensive, year-round program to monitor the impact of operations at Paducah Gaseous Diffusion Plant (PGDP) on the area's groundwater and surface waters, soil, air quality, vegetation, and wildlife. In addition, an assessment of the effect of PGDP effluents on the resident human population is made. PGDP's overall goal for environmental management is to protect the environment and PGDP's neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, to reduce the formation of waste, and to minimize hazardous waste by substitution of materials.

  17. Ulcerative colitis and steroid-responsive, diffuse interstitial lung disease

    SciTech Connect (OSTI)

    Balestra, D.J.; Balestra, S.T.; Wasson, J.H.

    1988-07-01

    The authors describe a patient with ulcerative colitis and extracolonic manifestations in whom diffuse interstitial pulmonary disease developed that was responsive to glucocorticoid therapy one year after total proctocolectomy. The patient presented in December 1983 with a subacute course marked by cough and progressive exertional dyspnea, abnormal chest examination results, and a chest roentgenogram that revealed diffuse interstitital and alveolar infiltrates. A transbronchial biopsy specimen revealed a polymorphic interstitial infiltrate, mild interstitial fibrosis without apparent intraluminal fibrosis, and no vasculitis, granulomas, or significant eosinophilic infiltration. Within one week of the initiation of daily high-dose steroid therapy, the patient's symptoms dramatically improved; chest roentgenogram and forced vital capacity (60%) improved at a slower rate. All three measures deteriorated when alternate-day prednisone therapy was started but once again improved until the patient was totally asymptomatic, chest roentgenograms were normal, and forced vital capacity was 80% of the predicted value 2 1/2 years later.

  18. In situ carbonyl extraction of Ni from gaseous diffusion cells

    SciTech Connect (OSTI)

    Visnapuu, A. [USBM Salt Lake Research Center, Salt Lake City, UT (United States); Hollenberg, G.W. [Battelle Pacific Northwest Lab., Richland, WA (United States); Bundy, R.D. [Battelle Memorial Institute, Oak Ridge, TN (United States)

    1995-12-31

    This paper discusses the use of carbonyl processing technology for recovery of nickel from uranium isotope separation diffusion cells, and potential applications to recover nickel, iron, chromium, cobalt, and other carbonyl forming metals from nuclear waste while reducing the volume of the high level residue for more economic disposal. Nickel powder was carbonylated under static and dynamic conditions using only carbon monoxide to determine if the nickel powder would react rapidly enough to require no promoter. Nickel to Ni(CO){sub 4} conversion was realized in all cases and nickel metal was vapor deposited in the thermal decomposer, but the conversion rates in all cases the reaction were too slow for practical recovery. Addition of hydrogen sulfide gas as a promoter increased the conversion rate more than 500-fold over conversion with no promoter. Test summaries are provided in the paper; results indicate that promoter activated carbonylation is a viable approach for recovery of nickel from uranium isotope diffusion cells.

  19. GALEX DIFFUSE OBSERVATIONS OF THE SKY: THE DATA

    SciTech Connect (OSTI)

    Murthy, Jayant

    2014-08-01

    I present tabulations of the diffuse observations made by the GALEX spacecraft in two UV bands (FUV: 1539 and NUV: 2316 ) from the (almost) final data release of the GALEX spacecraft (GR6/GR7). This data release includes all the FUV observations and the majority of the NUV observations. I discuss overall trends in the data but the primary purpose of this paper is to make the data available to the public. The data files described in this paper are hosted by the Mikulski Archive for Space Telescopes at the Space Telescope Science Insitute from whence they may be downloaded. For ease of use, I have also created maps of the diffuse radiation in both bands over the entire observed sky at 6' resolution.

  20. Dye laser amplifier including a specifically designed diffuser assembly

    DOE Patents [OSTI]

    Davin, James; Johnston, James P.

    1992-01-01

    A large (high flow rate) dye laser amplifier in which a continuous replened supply of dye is excited by a first light beam, specifically a copper vapor laser beam, in order to amplify the intensity of a second different light beam, specifically a dye beam, passing through the dye is disclosed herein. This amplifier includes a dye cell defining a dye chamber through which a continuous stream of dye is caused to pass at a relatively high flow rate and a specifically designed diffuser assembly for slowing down the flow of dye while, at the same time, assuring that as the dye stream flows through the diffuser assembly it does so in a stable manner.

  1. Ligand-gated Diffusion Across the Bacterial Outer Membrane

    SciTech Connect (OSTI)

    B Lepore; M Indic; H Pham; E Hearn; D Patel; B van den Berg

    2011-12-31

    Ligand-gated channels, in which a substrate transport pathway is formed as a result of the binding of a small-molecule chemical messenger, constitute a diverse class of membrane proteins with important functions in prokaryotic and eukaryotic organisms. Despite their widespread nature, no ligand-gated channels have yet been found within the outer membrane (OM) of Gram-negative bacteria. Here we show, using in vivo transport assays, intrinsic tryptophan fluorescence and X-ray crystallography, that high-affinity (submicromolar) substrate binding to the OM long-chain fatty acid transporter FadL from Escherichia coli causes conformational changes in the N terminus that open up a channel for substrate diffusion. The OM long-chain fatty acid transporter FadL from E. coli is a unique paradigm for OM diffusion-driven transport, in which ligand gating within a {beta}-barrel membrane protein is a prerequisite for channel formation.

  2. EXCITATION OF C{sub 2} IN DIFFUSE INTERSTELLAR CLOUDS

    SciTech Connect (OSTI)

    Casu, Silvia; Cecchi-Pestellini, Cesare E-mail: ccp@oa-cagliari.inaf.it

    2012-04-10

    We investigate the effects and the implications of incorporating new collision and radiative rates in modeling the excitation of diatomic carbon molecule. The present results suggest that diffuse and translucent interstellar clouds may present a structure in which regions with different densities and kinetic temperatures overlap along the line of sight, such as core-halo clouds, the nested structure of the molecular gas, and clumpiness. Such conclusion reflects the response of the C{sub 2} rotational ladder to the interplay of thermal and radiative conditions, with low and high rotational levels tracing different regions of the parameter space. To relieve constraints to the formation and excitation of C{sub 2} molecules, we propose a scenario in which the chemistry in diffuse clouds is supplemented by chemistry in many transient and tiny perturbations.

  3. Palladium diffusion into bulk copper via the (100) surface.

    SciTech Connect (OSTI)

    Bussmann, Ezra; Pohl, Karsten; Sun, Jiebing; Kellogg, Gary Lee

    2009-01-01

    Using low-energy electron microscopy, we measure the diffusion of Pd into bulk Cu at the Cu(100) surface. Interdiffusion is tracked by measuring the dissolution of the Cu(100)-c(2 x 2)-Pd surface alloy during annealing (T > 240 C). The activation barrier for Pd diffusion from the surface alloy into the bulk is determined to be (1.8 {+-} 0.6) eV. During annealing, we observe the growth of a new layer of Cu near step edges. Under this new Cu layer, dilute Pd remaining near the surface develops a layered structure similar to the Cu{sub 3}Pd L 1{sub 2} bulk alloy phase.

  4. A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag...

    Office of Scientific and Technical Information (OSTI)

    A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag Citation Details In-Document Search Title: A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag ...

  5. A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag...

    Office of Scientific and Technical Information (OSTI)

    A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag Citation Details In-Document Search Title: A 2D Radiation Transport Package with Mimetic Diffusion for ExaFlag...

  6. Kenya Hourly DNI, GHI and Diffuse Solar Data - Datasets - OpenEI...

    Open Energy Info (EERE)

    Kenya Hourly DNI, GHI and Diffuse Solar Data Abstract Each data file is a set of hourly values of solar radiation (DNI, GHI and diffuse) and meteorological elements for a 1-year...

  7. Origin of Novel Diffusions of Cu and Ag in Semiconductors: The...

    Office of Scientific and Technical Information (OSTI)

    Origin of Novel Diffusions of Cu and Ag in Semiconductors: The Case of CdTe Prev Next Title: Origin of Novel Diffusions of Cu and Ag in Semiconductors: The Case of CdTe ...

  8. Roles of carbon diffusion and step structure on the growth of...

    Office of Scientific and Technical Information (OSTI)

    Roles of carbon diffusion and step structure on the growth of graphene on SiC(0001). Citation Details In-Document Search Title: Roles of carbon diffusion and step structure on the ...

  9. Gas-phase diffusion in porous media: Evaluation of an advective...

    Office of Scientific and Technical Information (OSTI)

    The ADM, which is more widely used, is based on a linear addition of advection calculated by Darcys Law and ordinary diffusion using Ficks Law. Knudsen diffusion is often ...

  10. Overcoming the Exciton Diffusion Bottleneck in Organic Photovoltaic Cells |

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    MIT-Harvard Center for Excitonics Overcoming the Exciton Diffusion Bottleneck in Organic Photovoltaic Cells May 20, 2009 at 3pm/36-428 Russell J.Holmes Department of Chemical Engineering and Materials Science, University of Minnesota holmes abstract: Organic materials are attractive for application in photovoltaic cells due to their compatibility with lightweight, flexible substrates, and high throughput processing techniques. Optical absorption in these materials leads to the creation of a

  11. 1,2,3-D Diffusion Depletion Multi-Group

    Energy Science and Technology Software Center (OSTI)

    1992-04-20

    CITATION is designed to solve problems using the finite difference representation of neutron diffusion theory, treating up to three space dimensions with arbitrary group to group scattering. X-y-z, theta-r-z, hexagonal z, and triagonal z geometries may be treated. Depletion problems may be solved and fuel managed for multi-cycle analysis. Extensive first order perturbation results may be obtained given microscopic data and nuclide concentrations. Statics problems may be solved and perturbation results obtained with microscopic data.

  12. Discrepancies in Shortwave Diffuse Measured and Modeled Irradiances in Antarctica

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Discrepancies in Shortwave Diffuse Measured and Modeled Irradiances in Antarctica A. Payton, P. Ricchiazzi, and C. Gautier University of California Santa Barbara, California D. Lubin Scripps Scripps Institution of Oceanography La Jolla, California Introduction Measurements of clear-sky shortwave (SW) radiation at the surface show discrepancies between measurements and model simulations, but only for certain measurements across time and space. Most of the observations entail broadband

  13. Federal Facility Agreement for the Paducah Gaseous Diffusion Plant Summary

    Office of Environmental Management (EM)

    Federal Facility Agreement for the Paducah Gaseous Diffusion Plant State Kentucky Agreement Type Federal Facility Agreement Legal Driver(s) CERCLA/RCRA Scope Summary Ensure that the environmental impacts of activities at the Site are investigated and appropriate response actions are taken. Parties U.S. DOE; Kentucky Natural Resources and Environmental Protection Cabinet; U.S. EPA Date 2/01/1998 SCOPE * Ensure all releases of hazardous substances, pollutants, or contaminants are addressed to

  14. The Structural Evolution and Diffusion During the Chemical Transformation

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    from Cobalt to Cobalt Phosphide Nanoparticles > Research Highlights > Research > The Energy Materials Center at Cornell Research Highlights In This Section The Structural Evolution and Diffusion During the Chemical Transformation from Cobalt to Cobalt Phosphide Nanoparticles Joint Density-Functional Theory of Electrochemistry Double-band Electrode Channel Flow DEMS Cell Sulfur@Carbon Cathodes for Lithium Sulfur Batteries Better Ham & Cheese: Enhanced Anodes and Cathodes for Fuel

  15. Real Space Mapping of Oxygen Vacancy Diffusion and Electrochemical

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Transformations by Hysteretic Current Reversal Curve Measurements - Energy Innovation Portal Hydrogen and Fuel Cell Hydrogen and Fuel Cell Energy Storage Energy Storage Find More Like This Return to Search Real Space Mapping of Oxygen Vacancy Diffusion and Electrochemical Transformations by Hysteretic Current Reversal Curve Measurements Oak Ridge National Laboratory Contact ORNL About This Technology Technology Marketing SummaryElectrochemical energy storage and conversion systems based on

  16. Method of making gas diffusion layers for electrochemical cells

    DOE Patents [OSTI]

    Frisk, Joseph William; Boand, Wayne Meredith; Larson, James Michael

    2002-01-01

    A method is provided for making a gas diffusion layer for an electrochemical cell comprising the steps of: a) combining carbon particles and one or more surfactants in a typically aqueous vehicle to make a preliminary composition, typically by high shear mixing; b) adding one or more highly fluorinated polymers to said preliminary composition by low shear mixing to make a coating composition; and c) applying the coating composition to an electrically conductive porous substrate, typically by a low shear coating method.

  17. Continuous Flow Diffusion Chamber Measurements of IN Concentration

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Flow Diffusion Chamber (CFDC) Measurements of IN Concentration Concentrations of Ice-Nucleating Aerosol (IN) as a function of Temperature and %Supersaturation Sarah Brooks and Andrew Glen, Texas A&M University Archived CFDC Data Flights April 8 through end of ISDAC ... CFDC operating conditions vary Date Flight Num 20080331 Flight 08 20080401 Flight 09 & 10 20080404 Flight 11 & 12 20080405 Flight 13 & 14 20080408 Flight 15, 16 & 17 20080413 Flight 18 & 19 20080414 Flight

  18. Tracer diffusion in compacted, water-saturated bentonite

    SciTech Connect (OSTI)

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2005-08-04

    Compacted Na-bentonite clay barriers, widely used in theisolation of solid-waste landfills and other contaminated sites, havebeen proposed for a similar use in the disposal of high-level radioactivewaste. Molecular diffusion through the pore space in these barriers playsa key role in their performance, thus motivating recent measurements ofthe apparent diffusion coefficient tensor of water tracers in compacted,water-saturated Na-bentonites. In the present study, we introduce aconceptual model in which the pore space of water-saturated bentonite isdivided into 'macropore' and 'interlayer nanopore' compartments. Withthis model we determine quantitatively the relative contributions ofpore-network geometry (expressed as a geometric factor) and of thediffusive behavior of water molecules near montmorillonite basal surfaces(expressed as a contristivity factor) to the apparent diffusioncoefficient tensor. Our model predicts, in agreement with experiment,that the mean principal value of the apparent diffusion coefficienttensor follows a single relationship when plotted against the partialmontmorillonite dry density (mass of montmorillonite per combined volumeof montmorillonite and pore space). Using a single fitted parameter, themean principal geometric factor, our model successfully describes thisrelationship for a broad range of bentonite-water system, from dilute gelto highly-compacted bentonite with 80 percent of its pore water ininterlayer nanopores.

  19. IUTAM symposium on hydrodynamic diffusion of suspended particles

    SciTech Connect (OSTI)

    Davis, R.H.

    1995-12-31

    Hydrodynamic diffusion refers to the fluctuating motion of nonBrownian particles (or droplets or bubbles) which occurs in a dispersion due to multiparticle interactions. For example, in a concentrated sheared suspension, particles do not move along streamlines but instead exhibit fluctuating motions as they tumble around each other. This leads to a net migration of particles down gradients in particle concentration and in shear rate, due to the higher frequency of encounters of a test particle with other particles on the side of the test particle which has higher concentration or shear rate. As another example, suspended particles subject to sedimentation, centrifugation, or fluidization, do not generally move relative to the fluid with a constant velocity, but instead experience diffusion-like fluctuations in velocity due to interactions with neighboring particles and the resulting variation in the microstructure or configuration of the suspended particles. In flowing granular materials, the particles interact through direct collisions or contacts (rather than through the surrounding fluid); these collisions also cause the particles to undergo fluctuating motions characteristic of diffusion processes. Selected papers are indexed separately for inclusion in the Energy Science and Technology Database.

  20. Proposed On-Site Disposal Facility (OSDF) at the Paducah Gaseous Diffusion

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Plant | Department of Energy Disposal Facility (OSDF) at the Paducah Gaseous Diffusion Plant Proposed On-Site Disposal Facility (OSDF) at the Paducah Gaseous Diffusion Plant Full Document and Summary Versions are available for download Proposed On-Site Disposal Facility (OSDF) at the Paducah Gaseous Diffusion Plant (436.49 KB) Summary - Proposed On-Site Disposal Facility (OSDF) at the Paducah Gaseous Diffusion Plant (47.06 KB) More Documents & Publications Briefing: DOE EM ITR Landfill

  1. New directions in mechanics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Kassner, Michael E.; Nemat-Nasser, Sia; Suo, Zhigang; Bao, Gang; Barbour, J. Charles; Brinson, L. Catherine; Espinosa, Horacio; Gao, Huajian; Granick, Steve; Gumbsch, Peter; et al

    2004-09-15

    The Division of Materials Sciences and Engineering of the US Department of Energy (DOE) sponsored a workshop to identify cutting-edge research needs and opportunities, enabled by the application of theoretical and applied mechanics. The workshop also included input from biochemical, surface science, and computational disciplines, on approaching scientific issues at the nanoscale, and the linkage of atomistic-scale with nano-, meso-, and continuum-scale mechanics. This paper is a summary of the outcome of the workshop, consisting of three main sections, each put together by a team of workshop participants. Section 1 addresses research opportunities that can be realized by the applicationmore » of mechanics fundamentals to the general area of self-assembly, directed self-assembly, and fluidics. Section 2 examines the role of mechanics in biological, bioinspired, and biohybrid material systems, closely relating to and complementing the material covered in Section 1. In this manner, it was made clear that mechanics plays a fundamental role in understanding the biological functions at all scales, in seeking to utilize biology and biological techniques to develop new materials and devices, and in the general area of bionanotechnology. While direct observational investigations are an essential ingredient of new discoveries and will continue to open new exciting research doors, it is the basic need for controlled experimentation and fundamentally- based modeling and computational simulations that will be truly empowered by a systematic use of the fundamentals of mechanics. Section 3 brings into focus new challenging issues in inelastic deformation and fracturing of materials that have emerged as a result of the development of nanodevices, biopolymers, and hybrid bio–abio systems. As a result, each section begins with some introductory overview comments, and then provides illustrative examples that were presented at the workshop and which are believed to highlight the

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

    SciTech Connect (OSTI)

    K. Huang; C. Kammerer; D. D. Keiser, Jr.; Y. H. Sohn

    2014-04-01

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

  3. Preliminary analysis of results of a mountain area atmospheric diffusion test

    SciTech Connect (OSTI)

    Not Available

    1983-12-01

    The results of diffusion test of artificial smoke clouds and neutron activated smoke were used to calculate the atmospheric diffusion parameters especially focusing on the differences of the diffusion diluting capabilities of the pollutants and comparing them with related foreign results where upon useful results were obtained.

  4. Glass diffusion source for constraining BSF region of a solar cell

    DOE Patents [OSTI]

    Lesk, I.A.; Pryor, R.A.; Coleman, M.G.

    1982-08-27

    The present invention is directed to a method of fabricating a solar cell comprising simultaneous diffusion of the p and n dopant materials into the solar cell substrate. The simultaneous diffusion process is preceded by deposition of a capping layer impervious to doping by thermal diffusion processes.

  5. Diffuse γ-ray emission from galactic pulsars

    SciTech Connect (OSTI)

    Calore, F.; Di Mauro, M.; Donato, F. E-mail: mattia.dimauro@to.infn.it

    2014-11-20

    Millisecond pulsars (MSPs) are old fast-spinning neutron stars that represent the second most abundant source population discovered by the Large Area Telescope (LAT) on board the Fermi Gamma-ray Space Telescope (Fermi). As guaranteed γ-ray emitters, they might contribute non-negligibly to the diffuse emission measured at high latitudes by Fermi-LAT (i.e., the Isotropic Diffuse γ-Ray Background (IDGRB)), which is believed to arise from the superposition of several components of galactic and extragalactic origin. Additionally, γ-ray sources also contribute to the anisotropy of the IDGRB measured on small scales by Fermi-LAT. In this manuscript we aim to assess the contribution of the unresolved counterpart of the detected MSPs population to the IDGRB and the maximal fraction of the measured anisotropy produced by this source class. To this end, we model the MSPs' spatial distribution in the Galaxy and the γ-ray emission parameters by considering observational constraints coming from the Australia Telescope National Facility pulsar catalog and the Second Fermi-LAT Catalog of γ-ray pulsars. By simulating a large number of MSP populations through a Monte Carlo simulation, we compute the average diffuse emission and the anisotropy 1σ upper limit. We find that the emission from unresolved MSPs at 2 GeV, where the peak of the spectrum is located, is at most 0.9% of the measured IDGRB above 10° in latitude. The 1σ upper limit on the angular power for unresolved MSP sources turns out to be about a factor of 60 smaller than Fermi-LAT measurements above 30°. Our results indicate that this galactic source class represents a negligible contributor to the high-latitude γ-ray sky and confirm that most of the intensity and geometrical properties of the measured diffuse emission are imputable to other extragalactic source classes (e.g., blazars, misaligned active galactic nuclei, or star-forming galaxies). Nevertheless, because MSPs are more concentrated toward the

  6. A numerical study of soot aggregate formation in a laminar coflow diffusion flame

    SciTech Connect (OSTI)

    Zhang, Q.; Thomson, M.J. [Department of Mechanical and Industrial Engineering, University of Toronto, 5 King's College Road, Toronto, Ontario, M5S 3G8 (Canada); Guo, H.; Liu, F.; Smallwood, G.J. [Institute for Chemical Process and Environmental Technology, National Research Council of Canada, Building M-9, 1200 Montreal Road, Ottawa, Ontario, K1A 0R6 (Canada)

    2009-03-15

    Soot aggregate formation in a two-dimensional laminar coflow ethylene/air diffusion flame is studied with a pyrene-based soot model, a detailed sectional aerosol dynamics model, and a detailed radiation model. The chemical kinetic mechanism describes polycyclic aromatic hydrocarbon formation up to pyrene, the dimerization of which is assumed to lead to soot nucleation. The growth and oxidation of soot particles are characterized by the HACA surface mechanism and pyrene-soot surface condensation. The mass range of the solid soot phase is divided into thirty-five discrete sections and two equations are solved in each section to model the formation of the fractal-like soot aggregates. The coagulation model is improved by implementing the aggregate coagulation efficiency. Several physical processes that may cause sub-unitary aggregate coagulation efficiency are discussed. Their effects on aggregate structure are numerically investigated. The average number of primary soot particles per soot aggregate n{sub p} is found to be a strong function of the aggregate coagulation efficiency. Compared to the available experimental data, n{sub p} is well reproduced with a constant 20% aggregate coagulation efficiency. The predicted axial velocity, OH mole fraction, and C{sub 2}H{sub 2} mole fraction are validated against experimental data in the literature. Reasonable agreements are obtained. Finally, a sensitivity study of the effects of particle coalescence on soot volume fraction and soot aggregate nanostructure is conducted using a coalescence cutoff diameter method. (author)

  7. Pilot-Scale Benzene Retention and Release Demonstration

    SciTech Connect (OSTI)

    Marek, J.C.

    2003-11-10

    During the initial months of In-Tank Precipitation radioactive operation in 1995 the process experienced high rates of tetraphenylborate decomposition with assumed corresponding high rates of benzene generation. In March 1996 after a two month quiescent period, a water addition to Tank 48H resulted in an unexpected benzene release to the tank vapor phase. This was the first time a low energy input resulted in a significant release rate. This led to questions about how benzene, generated in-situ by TPB decomposition, was retained in the surrounding potassium tetraphenylborate slurry. It was postulated the retention mechanism may have changed during the quiescent period prior to March so the benzene present became readily releasable to the vapor phase with low energy input to the slurry or that enough benzene accumulated that some of it was in a different, more releasable form. Readily releasable is a qualitative term defined as a rapid release of benzene at a rate approaching evaporation of a free benzene layer. It is intended to distinguish between benzene in a form with high liquid phase resistance to mass transfer diffusion controlled from benzene in a form with minimal liquid phase resistance to mass transfer free benzene layer evaporation. If a readily releasable form of benzene was present, the vapor space profile during release tests was anticipated to have an initial benzene vapor space concentration peak followed by a lower vapor concentration, longer duration release.

  8. Lithium diffusion at Si-C interfaces in silicon-graphene composites

    SciTech Connect (OSTI)

    Odbadrakh, Khorgolkhuu [Joint Institute for Computational Sciences, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); McNutt, N. W. [Department of Chemical and Biomolecular Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States); Nicholson, D. M. [Computational Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); Department of Physics, University of North Carolina, Asheville, North Carolina 28804 (United States); Rios, O. [Materials Science and Technology Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37830 (United States); Keffer, D. J. [Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996 (United States)

    2014-08-04

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  9. Backlash compensator mechanism

    DOE Patents [OSTI]

    Chrislock, Jerry L.

    1979-01-01

    Mechanism which compensates for backlash error in a lead screw position indicator by decoupling the indicator shaft from the lead screw when reversing rotation. The position indicator then displays correct information regardless of the direction of rotation of the lead screw.

  10. Wear-mechanism modelling

    SciTech Connect (OSTI)

    Ashby, M.F. . Dept. of Engineering)

    1993-03-01

    Goals of the program are to calculate the surface temperatures in dry sliding, develop a soft wear tester for ceramics, survey the wear mechanisms in brittle solids, and couple the temperature calculations with models to give wear maps for brittle solids. (DLC)

  11. Residential Mechanical Precooling

    SciTech Connect (OSTI)

    German, a.; Hoeschele, M.

    2014-12-01

    This research conducted by the Alliance for Residential Building Innovation team evaluated mechanical air conditioner pre-cooling strategies in homes throughout the United States. EnergyPlus modeling evaluated two homes with different performance characteristics in seven climates. Results are applicable to new construction homes and most existing homes built in the last 10 years, as well as fairly efficient retrofitted homes.

  12. First-principles binary diffusion coefficients for H, H2 and four normal alkanes + N2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jasper, Ahren W.; Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.

    2014-09-30

    Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N2. The most detailed calculations make no assumptions regarding the complexity of the potential energy surface, and the resulting classical collision integrals are in excellent agreement with previous semiclassical results for H + N2 and H2 + N2 and with recent experimental results for C n H2n+2 + N2, n = 2–4. The detailed classical results are used to test the accuracy of three simplifying assumptions typically made when calculating collision integrals: (1) approximating the intermolecular potential as isotropic, (2) neglecting the internal structuremore » of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R–12 repulsive interactions. The effect of anisotropy is found to be negligible for H + N2 and H2 + N2 (in agreement with previous quantum mechanical and semiclassical results for systems involving atomic and diatomic species) but is more significant for larger species at low temperatures. For example, the neglect of anisotropy decreases the diffusion coefficient for butane + N2 by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R–12 interaction is a significant source of error at all temperatures for the weakly interacting systems H + N2 and H2 + N2, with errors as large as 40%. For the normal alkanes in N2, which feature stronger interactions, the 12/6 Lennard–Jones approximation is found to be accurate, particularly at temperatures above –700 K where it predicts the full-dimensional result to within 5% (although with somewhat different temperature dependence). Overall, the typical practical approach of assuming isotropic 12/6 Lennard–Jones interactions is confirmed to be suitable for combustion applications except for weakly interacting systems, such as H + N2. For these systems, anisotropy and inelasticity

  13. Microstructural Characteristics of HIP-bonded Monolithic Nuclear Fuels with a Diffusion Barrier

    SciTech Connect (OSTI)

    Jan-Fong Jue; Dennis D. Keiser, Jr.; Cynthia R. Breckenridge; Glenn A. Moore; Mitchell K. Meyer

    2014-05-01

    Due to the limitation of maximum uranium load achievable by dispersion fuel type, the Global Threat Reduction Initiative (GTRI) is developing an advanced monolithic fuel to convert US high performance research reactors to low-enriched uranium. Hot-isostatic-press bonding was the single process down-selected to bond monolithic U-Mo fuel meat to aluminum alloy cladding. A diffusion barrier was applied to the U–Mo fuel meat by roll-bonding process to prevent extensive interaction between fuel meat and aluminum-alloy cladding. Microstructural characterization was performed on fresh fuel plates fabricated at Idaho National Laboratory. Interfaces between fuel meat, cladding, and diffusion barrier, as well as U–10Mo fuel meat and Al–6061 cladding were characterized by scanning electron microscopy. Preliminary results indicate that the interfaces contain many different phases while decomposition, second phases, and chemical banding were also observed in the fuel meat. The important attributes of the HIP-bonded monolithic fuel are • A typical Zr diffusion barrier of thickness 25 µm • Transverse cross section that exhibits relatively equiaxed grains with an average grain diameter of 10 µm • Chemical banding, in some areas more than 100 µm in length, that is very pronounced in longitudinal (i.e., rolling) direction with Mo concentration varying from 7–13 wt% • Decomposed areas containing plate-shaped low-Mo phase • A typical Zr/cladding interaction layer of thickness 1-2 µm • A visible UZr2 bearing layer of thickness 1-2 µm • Mo-rich precipitates (mainly Mo2Zr, forming a layer in some areas) followed by a Mo-depleted sub-layer between the visible UZr2-bearing layer and the U–Mo matrix • No excessive interaction between cladding and the uncoated fuel edge • Cladding-to-cladding bonding that exhibits no cracks or porosity with second phases high in Mg, Si, and O decorating the bond line. • Some of these attributes might be critical to the

  14. Calculation of combined diffusion coefficients in SF{sub 6}-Cu mixtures

    SciTech Connect (OSTI)

    Zhong, Linlin; Wang, Xiaohua Rong, Mingzhe Wu, Yi; Murphy, Anthony B.

    2014-10-15

    Diffusion coefficients play an important role in the description of the transport of metal vapours in gas mixtures. This paper is devoted to the calculation of four combined diffusion coefficients, namely, the combined ordinary diffusion coefficient, combined electric field diffusion coefficient, combined temperature diffusion coefficient, and combined pressure diffusion coefficient in SF{sub 6}-Cu mixtures at temperatures up to 30 000 K. These four coefficients describe diffusion due to composition gradients, applied electric fields, temperature gradients, and pressure gradients, respectively. The influence of copper fluoride and sulfide species on the diffusion coefficients is shown to be negligible. The effect of copper proportion and gas pressures on these diffusion coefficients is investigated. It is shown that increasing the proportion of copper generally increases the magnitude of the four diffusion coefficients, except for copper mole fractions of 90% or more. It is further found that increasing the pressure reduces the magnitude of the coefficients, except for the combined temperature diffusion coefficient, and shifts the maximum of all four coefficients towards higher temperatures. The results presented in this paper can be applied to the simulation of high-voltage circuit breaker arcs.

  15. Study of vaneless diffuser rotating stall based on two-dimensional inviscid flow analysis

    SciTech Connect (OSTI)

    Tsujimoto, Yoshinobu; Yoshida, Yoshiki [Osaka Univ., Toyonaka, Osaka (Japan); Mori, Yasumasa [Mitsubishi Motors Corp., Ohta, Tokyo (Japan)

    1996-03-01

    Rotating stalls in vaneless diffusers are studied from the viewpoint that they are basically two-dimensional inviscid flow instability under the boundary conditions of vanishing velocity disturbance at the diffuser inlet and of vanishing pressure disturbance at the diffuser outlet. The linear analysis in the present report shows that the critical flow angle and the propagation velocity are functions of only the diffuser radius ratio. It is shown that the present analysis can reproduce most of the general characteristics observed in experiments: critical flow angle, propagation velocity, velocity, and pressure disturbance fields. It is shown that the vanishing velocity disturbance at the diffuser inlet is caused by the nature of impellers as a resistance and an inertial resistance, which is generally strong enough to suppress the velocity disturbance at the diffuser inlet. This explains the general experimental observations that vaneless diffuser rotating stalls are not largely affected by the impeller.

  16. THE LOS ALAMOS NATIONAL LABORATORY ATMOSPHERIC TRANSPORT AND DIFFUSION MODELS

    SciTech Connect (OSTI)

    M. WILLIAMS

    1999-08-01

    The LANL atmospheric transport and diffusion models are composed of two state-of-the-art computer codes. The first is an atmospheric wind model called HOThlAC, Higher Order Turbulence Model for Atmospheric circulations. HOTMAC generates wind and turbulence fields by solving a set of atmospheric dynamic equations. The second is an atmospheric diffusion model called RAPTAD, Random Particle Transport And Diffusion. RAPTAD uses the wind and turbulence output from HOTMAC to compute particle trajectories and concentration at any location downwind from a source. Both of these models, originally developed as research codes on supercomputers, have been modified to run on microcomputers. Because the capability of microcomputers is advancing so rapidly, the expectation is that they will eventually become as good as today's supercomputers. Now both models are run on desktop or deskside computers, such as an IBM PC/AT with an Opus Pm 350-32 bit coprocessor board and a SUN workstation. Codes have also been modified so that high level graphics, NCAR Graphics, of the output from both models are displayed on the desktop computer monitors and plotted on a laser printer. Two programs, HOTPLT and RAPLOT, produce wind vector plots of the output from HOTMAC and particle trajectory plots of the output from RAPTAD, respectively. A third CONPLT provides concentration contour plots. Section II describes step-by-step operational procedures, specifically for a SUN-4 desk side computer, on how to run main programs HOTMAC and RAPTAD, and graphics programs to display the results. Governing equations, boundary conditions and initial values of HOTMAC and RAPTAD are discussed in Section III. Finite-difference representations of the governing equations, numerical solution procedures, and a grid system are given in Section IV.

  17. DIFFUSE MOLECULAR CLOUD DENSITIES FROM UV MEASUREMENTS OF CO ABSORPTION

    SciTech Connect (OSTI)

    Goldsmith, Paul F.

    2013-09-10

    We use UV measurements of interstellar CO toward nearby stars to calculate the density in the diffuse molecular clouds containing the molecules responsible for the observed absorption. Chemical models and recent calculations of the excitation rate coefficients indicate that the regions in which CO is found have hydrogen predominantly in molecular form and that collisional excitation is by collisions with H{sub 2} molecules. We carry out statistical equilibrium calculations using CO-H{sub 2} collision rates to solve for the H{sub 2} density in the observed sources without including effects of radiative trapping. We have assumed kinetic temperatures of 50 K and 100 K, finding this choice to make relatively little difference to the lowest transition. For the sources having T{sup ex}{sub 10} only for which we could determine upper and lower density limits, we find (n(H{sub 2})) = 49 cm{sup -3}. While we can find a consistent density range for a good fraction of the sources having either two or three values of the excitation temperature, there is a suggestion that the higher-J transitions are sampling clouds or regions within diffuse molecular cloud material that have higher densities than the material sampled by the J = 1-0 transition. The assumed kinetic temperature and derived H{sub 2} density are anticorrelated when the J = 2-1 transition data, the J = 3-2 transition data, or both are included. For sources with either two or three values of the excitation temperature, we find average values of the midpoint of the density range that is consistent with all of the observations equal to 68 cm{sup -3} for T{sup k} = 100 K and 92 cm{sup -3} for T{sup k} = 50 K. The data for this set of sources imply that diffuse molecular clouds are characterized by an average thermal pressure between 4600 and 6800 K cm{sup -3}.

  18. InAs quantum dot growth on Al{sub x}Ga{sub 1?x}As by metalorganic vapor phase epitaxy for intermediate band solar cells

    SciTech Connect (OSTI)

    Jakomin, R.; Kawabata, R. M. S.; Souza, P. L.; Mouro, R. T.; Pires, M. P.; Micha, D. N.

    2014-09-07

    InAs quantum dot multilayers have been grown using Al{sub x}Ga{sub 1?x}As spacers with dimensions and compositions near the theoretical values for optimized efficiencies in intermediate band photovoltaic cells. Using an aluminium composition of x?=?0.3 and InAs dot vertical dimensions of 5?nm, transitions to an intermediate band with energy close to the ideal theoretical value have been obtained. Optimum size uniformity and density have been achieved by capping the quantum dots with GaAs following the indium-flush method. This approach has also resulted in minimization of crystalline defects in the epilayer structure.

  19. Plasma sprayed and electrospark deposited zirconium metal diffusion barrier coatings

    SciTech Connect (OSTI)

    Hollis, Kendall J; Pena, Maria I

    2010-01-01

    Zirconium metal coatings applied by plasma spraying and electrospark deposition (ESD) have been investigated for use as diffusion barrier coatings on low enrichment uranium fuel for research nuclear reactors. The coatings have been applied to both stainless steel as a surrogate and to simulated nuclear fuel uranium-molybdenum alloy substrates. Deposition parameter development accompanied by coating characterization has been performed. The structure of the plasma sprayed coating was shown to vary with transferred arc current during deposition. The structure of ESD coatings was shown to vary with the capacitance of the deposition equipment.

  20. Enhancing scattering images for orientation recovery with diffusion map

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Winter, Martin; Saalmann, Ulf; Rost, Jan M.

    2016-02-12

    We explore the possibility for orientation recovery in single-molecule coherent diffractive imaging with diffusion map. This algorithm approximates the Laplace-Beltrami operator, which we diagonalize with a metric that corresponds to the mapping of Euler angles onto scattering images. While suitable for images of objects with specific properties we show why this approach fails for realistic molecules. Here, we introduce a modification of the form factor in the scattering images which facilitates the orientation recovery and should be suitable for all recovery algorithms based on the distance of individual images. (C) 2016 Optical Society of America

  1. Portsmouth Gaseous Diffusion Plant Environmental report for 1990

    SciTech Connect (OSTI)

    Counce-Brown, D.

    1991-09-01

    This calendar year 1990 annual report on environmental surveillance of the US Department of Energy's (DOE's) Portsmouth Gaseous Diffusion Plant (PORTS) and its environs consists of two parts: the summary, discussion, and conclusions (Part 1) and the data presentation (Part 2). The objectives of this report are as follows: report 1990 monitoring data for the installation and its environs that may have been affected by operations on the plant site, provide reasonably detailed information about the plant site and plant operations, provide detailed information on input and assumptions used in all calculations, provide trend analyses (when appropriate) to indicate increases and decreases in environmental impact, and provide general information on plant quality assurance.

  2. Simulation of Diffusive Lithium Evaporation Onto the NSTX Vessel Walls

    SciTech Connect (OSTI)

    Stotler, D. P.; Skinner, C. H.; Blanchard, W. R.; Krstic, P. S.; Kugel, H. W.; Schneider, H.; Zakharov, L. E.

    2010-12-09

    A model for simulating the diffusive evaporation of lithium into a helium filled NSTX vacuum vessel is described and validated against an initial set of deposition experiments. The DEGAS 2 based model consists of a three-dimensional representation of the vacuum vessel, the elastic scattering process, and a kinetic description of the evaporated atoms. Additional assumptions are required to account for deuterium out-gassing during the validation experiments. The model agrees with the data over a range of pressures to within the estimated uncertainties. Suggestions are made for more discriminating experiments that will lead to an improved model.

  3. Gas turbine engine with radial diffuser and shortened mid section

    SciTech Connect (OSTI)

    Charron, Richard C.; Montgomery, Matthew D.

    2015-09-08

    An industrial gas turbine engine (10), including: a can annular combustion assembly (80), having a plurality of discrete flow ducts configured to receive combustion gas from respective combustors (82) and deliver the combustion gas along a straight flow path at a speed and orientation appropriate for delivery directly onto the first row (56) of turbine blades (62); and a compressor diffuser (32) having a redirecting surface (130, 140) configured to receive an axial flow of compressed air and redirect the axial flow of compressed air radially outward.

  4. A radial basis function Galerkin method for inhomogeneous nonlocal diffusion

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Lehoucq, Richard B.; Rowe, Stephen T.

    2016-02-01

    We introduce a discretization for a nonlocal diffusion problem using a localized basis of radial basis functions. The stiffness matrix entries are assembled by a special quadrature routine unique to the localized basis. Combining the quadrature method with the localized basis produces a well-conditioned, sparse, symmetric positive definite stiffness matrix. We demonstrate that both the continuum and discrete problems are well-posed and present numerical results for the convergence behavior of the radial basis function method. As a result, we explore approximating the solution to anisotropic differential equations by solving anisotropic nonlocal integral equations using the radial basis function method.

  5. Counterflow diffusion flame synthesis of ceramic oxide powders

    DOE Patents [OSTI]

    Katz, Joseph L.; Miquel, Philippe F.

    1997-01-01

    Ceramic oxide powders and methods for their preparation are revealed. Ceramic oxide powders are obtained using a flame process whereby one or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein the precursors are converted into ceramic oxide powders. The nature of the ceramic oxide powder produced is determined by process conditions. The morphology, particle size, and crystalline form of the ceramic oxide powders may be varied by the temperature of the flame, the precursor concentration ratio, the gas stream and the gas velocity.

  6. Counterflow diffusion flame synthesis of ceramic oxide powders

    DOE Patents [OSTI]

    Katz, J.L.; Miquel, P.F.

    1997-07-22

    Ceramic oxide powders and methods for their preparation are revealed. Ceramic oxide powders are obtained using a flame process whereby one or more precursors of ceramic oxides are introduced into a counterflow diffusion flame burner wherein the precursors are converted into ceramic oxide powders. The nature of the ceramic oxide powder produced is determined by process conditions. The morphology, particle size, and crystalline form of the ceramic oxide powders may be varied by the temperature of the flame, the precursor concentration ratio, the gas stream and the gas velocity. 24 figs.

  7. Unique Auxin Regulation Mechanism Discovered

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Unique Auxin Regulation Mechanism Discovered Unique Auxin Regulation Mechanism Discovered Print Wednesday, 29 August 2007 00:00 The plant hormone auxin regulates many plant growth ...

  8. NUT SCREW MECHANISMS

    DOE Patents [OSTI]

    Glass, J.A.F.

    1958-07-01

    A reactor control mechanism is described wherein the control is achieved by the partial or total withdrawal of the fissile material which is in the form of a fuel rod. The fuel rod is designed to be raised and lowered from the reactor core area by means of two concentric ball nut and screw assemblies that may telescope one within the other. These screw mechanisms are connected through a magnetic clutch to a speed reduction gear and an accurately controllable prime motive source. With the clutch energized, the fuel rod may be moved into the reactor core area, and fine adjustments may be made through the reduction gearing. However, in the event of a power failure or an emergency signal, the magnetic clutch will become deenergized, and the fuel rod will drop out of the core area by the force of gravity, thus shutting down the operation of the reactor.

  9. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    DOE Patents [OSTI]

    Lessing, Paul A.

    2008-07-22

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  10. Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

    DOE Patents [OSTI]

    Lessing, Paul A.

    2004-09-07

    An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

  11. Comprehensive mechanisms for combustion chemistry: Experiment, modeling, and sensitivity analysis

    SciTech Connect (OSTI)

    Dryer, F.L.; Yetter, R.A.

    1993-12-01

    This research program is an integrated experimental/numerical effort to study pyrolysis and oxidation reactions and mechanisms for small-molecule hydrocarbon structures under conditions representative of combustion environments. The experimental aspects of the work are conducted in large diameter flow reactors, at pressures from one to twenty atmospheres, temperatures from 550 K to 1200 K, and with observed reaction times from 10{sup {minus}2} to 5 seconds. Gas sampling of stable reactant, intermediate, and product species concentrations provides not only substantial definition of the phenomenology of reaction mechanisms, but a significantly constrained set of kinetic information with negligible diffusive coupling. Analytical techniques used for detecting hydrocarbons and carbon oxides include gas chromatography (GC), and gas infrared (NDIR) and FTIR methods are utilized for continuous on-line sample detection of light absorption measurements of OH have also been performed in an atmospheric pressure flow reactor (APFR), and a variable pressure flow (VPFR) reactor is presently being instrumented to perform optical measurements of radicals and highly reactive molecular intermediates. The numerical aspects of the work utilize zero and one-dimensional pre-mixed, detailed kinetic studies, including path, elemental gradient sensitivity, and feature sensitivity analyses. The program emphasizes the use of hierarchical mechanistic construction to understand and develop detailed kinetic mechanisms. Numerical studies are utilized for guiding experimental parameter selections, for interpreting observations, for extending the predictive range of mechanism constructs, and to study the effects of diffusive transport coupling on reaction behavior in flames. Modeling using well defined and validated mechanisms for the CO/H{sub 2}/oxidant systems.

  12. Automation of mechanical testing

    SciTech Connect (OSTI)

    Heberling, D.T.

    1993-01-01

    This publication, Automation of Mechanical Testing, contains papers presented at the symposium of the same name, held in Pittsburgh, PA on 21 May 1992. The symposium was sponsored by ASTM Committee E-28 on Mechanical Testing. David T. Heberling, Armco Steel Co., L.P., Middletown Works Metallurgical Laboratory, Middletown, OH, presided as symposium chairman and is editor of the resulting publication. Hopefully, the initial flurry of activity has now subsided enough that the 90s can be a decade of maturing and standardization of automated test procedures. To help achieve this goal, the authors present in this STP nine technical papers on the automation of mechanical testing. The first five form a primer for those preparing to implement automated testing. These papers consist of information obtained the hard way--from experience with automation projects. Beginning with the fifth, which fits into both categories, the papers focus on specific technical issues and topics, many of which affect or need to be addressed by ASTM standards.

  13. Diffuse and fugitive emission dose assessment on the Hanford Site

    SciTech Connect (OSTI)

    Davis, W.E.; Schmidt, J.W.; Gleckler, B.P.; Rhoads, K.

    1995-01-01

    On February 3, 1993, the US Department of Energy, Richland Operations Office (RL), received a Compliance Order and Information Request from the Director of the Air and Toxics Division of the US Environmental Protection Agency (EPA), Region 10. The Compliance Order requires RL to (1) evaluate all radionuclide emission points at the Hanford Site to determine which are subject to continuous emission measurement requirements in 40 Code of Federal Regulations (CFR) 61, Subpart H, and (2) continuously measure radionuclide emissions in accordance with 40 CFR 61.93. The Information Request requires RL to provide a written Compliance Plan to meet the requirements of the Compliance Order. The RL Compliance Plan included as one of its milestones the requirement to develop a Federal Facility Compliance Agreement (FFCA). An FFCA was negotiated between RL and the EPA, Region 10, and was entered into on February 7, 1994. One of the milestones was to provide EPA, Region 10, with a copy of the Federal Clean Air Act Title V operating air permit application and Air Emission Inventory (AEI) concurrent with its submission to the Washington State Department of Ecology. The AEI will include an assessment of the diffuse and fugitive emissions from the Hanford Site. This assessment does not identify any diffuse or fugitive emission source that would cause an effective dose equivalent greater than 0.1 mrem/yr.

  14. Suppressing spectral diffusion of emitted photons with optical pulses

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fotso, H. F.; Feiguin, A. E.; Awschalom, D. D.; Dobrovitski, V. V.

    2016-01-22

    In many quantum architectures the solid-state qubits, such as quantum dots or color centers, are interfaced via emitted photons. However, the frequency of photons emitted by solid-state systems exhibits slow uncontrollable fluctuations over time (spectral diffusion), creating a serious problem for implementation of the photon-mediated protocols. Here we show that a sequence of optical pulses applied to the solid-state emitter can stabilize the emission line at the desired frequency. We demonstrate efficiency, robustness, and feasibility of the method analytically and numerically. Taking nitrogen-vacancy center in diamond as an example, we show that only several pulses, with the width of 1more » ns, separated by few ns (which is not difficult to achieve) can suppress spectral diffusion. As a result, our method provides a simple and robust way to greatly improve the efficiency of photon-mediated entanglement and/or coupling to photonic cavities for solid-state qubits.« less

  15. LHC Beam Diffusion Dependence on RF Noise: Models And Measurements

    SciTech Connect (OSTI)

    Mastorides, T.; Rivetta, C.; Fox, J.D.; Van Winkle, D.; Baudrenghien, P.; Butterworth, A.; Molendijk, J.; ,

    2010-09-14

    Radio Frequency (RF) accelerating system noise and non-idealities can have detrimental impact on the LHC performance through longitudinal motion and longitudinal emittance growth. A theoretical formalism has been developed to relate the beam and RF loop dynamics with the bunch length growth [1]. Measurements were conducted at LHC to validate the formalism, determine the performance limiting RF components, and provide the foundation for beam diffusion estimates for higher energies and intensities. A brief summary of these results is presented in this work. During a long store, the relation between the energy lost to synchrotron radiation and the noise injected to the beam by the RF accelerating voltage determines the growth of the bunch energy spread and longitudinal emittance. Since the proton synchrotron radiation in the LHC is very low, the beam diffusion is extremely sensitive to RF perturbations. The theoretical formalism presented in [1], suggests that the noise experienced by the beam depends on the cavity phase noise power spectrum, filtered by the beam transfer function, and aliased due to the periodic sampling of the accelerating voltage signal V{sub c}. Additionally, the dependence of the RF accelerating cavity noise spectrum on the Low Level RF (LLRF) configurations has been predicted using time-domain simulations and models [2]. In this work, initial measurements at the LHC supporting the above theoretical formalism and simulation predictions are presented.

  16. Diffuse reflectance FTIR of stains on grit blasted metals

    SciTech Connect (OSTI)

    Powell, G.L.; Hallman, R.L. Jr.; Cox, R.L.

    1997-08-09

    Diffuse reflectance mid-infrared Fourier transform (DRIFT) spectroscopy has been applied to the detection of oil contamination on grit-blasted metals. The object of this application is to detect and discriminate between silicone and hydrocarbon oil contamination at levels approaching 10 mg/m{sup 2}. A portable FTIR spectrometer with dedicated diffuse reflectance optics was developed for this purpose. Using translation devices positioned by instructions from the spectrometer operating system, images of macroscopic substrates were produced with millimeter spatial resolution. The pixels that comprise an image are each a full mid-infrared spectrum with excellent signal-to-noise, each determined as individual files and uniquely saved to disc. Reduced spectra amplitudes, based on peak height, area, or other chemometric techniques, mapped as a function of the spatial coordinates of the pixel are used to display the image. This paper demonstrates the application of the technique to the analysis of stains on grit-blasted metals, including the calibration of the method, the inspection of substrates, and the migration of oil contamination.

  17. Amorphous silicon passivated contacts for diffused junction silicon solar cells

    SciTech Connect (OSTI)

    Bullock, J. Yan, D.; Wan, Y.; Cuevas, A.; Demaurex, B.; Hessler-Wyser, A.; De Wolf, S.

    2014-04-28

    Carrier recombination at the metal contacts is a major obstacle in the development of high-performance crystalline silicon homojunction solar cells. To address this issue, we insert thin intrinsic hydrogenated amorphous silicon [a-Si:H(i)] passivating films between the dopant-diffused silicon surface and aluminum contacts. We find that with increasing a-Si:H(i) interlayer thickness (from 0 to 16?nm) the recombination loss at metal-contacted phosphorus (n{sup +}) and boron (p{sup +}) diffused surfaces decreases by factors of ?25 and ?10, respectively. Conversely, the contact resistivity increases in both cases before saturating to still acceptable values of ? 50 m? cm{sup 2} for n{sup +} and ?100 m? cm{sup 2} for p{sup +} surfaces. Carrier transport towards the contacts likely occurs by a combination of carrier tunneling and aluminum spiking through the a-Si:H(i) layer, as supported by scanning transmission electron microscopyenergy dispersive x-ray maps. We explain the superior contact selectivity obtained on n{sup +} surfaces by more favorable band offsets and capture cross section ratios of recombination centers at the c-Si/a-Si:H(i) interface.

  18. Diffuse γ-ray emission from misaligned active galactic nuclei

    SciTech Connect (OSTI)

    Di Mauro, M.; Donato, F.; Calore, F.; Ajello, M.; Latronico, L.

    2014-01-10

    Active galactic nuclei (AGNs) with jets seen at small viewing angles are the most luminous and abundant objects in the γ-ray sky. AGNs with jets misaligned along the line of sight appear fainter in the sky but are more numerous than the brighter blazars. We calculate the diffuse γ-ray emission due to the population of misaligned AGNs (MAGNs) unresolved by the Large Area Telescope (LAT) on the Fermi Gamma-ray Space Telescope (Fermi). A correlation between the γ-ray luminosity and the radio-core luminosity is established and demonstrated to be physical by statistical tests, as well as compatible with upper limits based on Fermi-LAT data for a large sample of radio-loud MAGNs. We constrain the derived γ-ray luminosity function by means of the source-count distribution of the radio galaxies detected by the Fermi-LAT. We finally calculate the diffuse γ-ray flux due to the whole MAGN population. Our results demonstrate that MAGNs can contribute from 10% up to nearly the entire measured isotropic gamma-ray background. We evaluate a theoretical uncertainty on the flux of almost an order of magnitude.

  19. Three-temperature plasma shock solutions with gray radiation diffusion

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Johnson, Bryan M.; Klein, Richard I.

    2016-04-19

    Here we discuss the effects of radiation on the structure of shocks in a fully ionized plasma are investigated by solving the steady-state fluid equations for ions, electrons, and radiation. The electrons and ions are assumed to have the same bulk velocity but separate temperatures, and the radiation is modeled with the gray diffusion approximation. Both electron and ion conduction are included, as well as ion viscosity. When the material is optically thin, three-temperature behavior occurs. When the diffusive flux of radiation is important but radiation pressure is not, two-temperature behavior occurs, with the electrons strongly coupled to the radiation.more » Since the radiation heats the electrons on length scales that are much longer than the electron–ion Coulomb coupling length scale, these solutions resemble radiative shock solutions rather than plasma shock solutions that neglect radiation. When radiation pressure is important, all three components are strongly coupled. Results with constant values for the transport and coupling coefficients are compared to a full numerical simulation with a good match between the two, demonstrating that steady shock solutions constitute a straightforward and comprehensive verification test methodology for multi-physics numerical algorithms.« less

  20. Crystal defect studies using x-ray diffuse scattering

    SciTech Connect (OSTI)

    Larson, B.C.

    1980-01-01

    Microscopic lattice defects such as point (single atom) defects, dislocation loops, and solute precipitates are characterized by local electronic density changes at the defect sites and by distortions of the lattice structure surrounding the defects. The effect of these interruptions of the crystal lattice on the scattering of x-rays is considered in this paper, and examples are presented of the use of the diffuse scattering to study the defects. X-ray studies of self-interstitials in electron irradiated aluminum and copper are discussed in terms of the identification of the interstitial configuration. Methods for detecting the onset of point defect aggregation into dislocation loops are considered and new techniques for the determination of separate size distributions for vacancy loops and interstitial loops are presented. Direct comparisons of dislocation loop measurements by x-rays with existing electron microscopy studies of dislocation loops indicate agreement for larger size loops, but x-ray measurements report higher concentrations in the smaller loop range. Methods for distinguishing between loops and three-dimensional precipitates are discussed and possibilities for detailed studies considered. A comparison of dislocation loop size distributions obtained from integral diffuse scattering measurements with those from TEM show a discrepancy in the smaller sizes similar to that described above.

  1. Gas phase decontamination of gaseous diffusion process equipment

    SciTech Connect (OSTI)

    Bundy, R.D.; Munday, E.B.; Simmons, D.W.; Neiswander, D.W.

    1994-03-01

    D&D of the process facilities at the gaseous diffusion plants (GDPs) will be an enormous task. The EBASCO estimate places the cost of D&D of the GDP at the K-25 Site at approximately $7.5 billion. Of this sum, nearly $4 billion is associated with the construction and operation of decontamination facilities and the dismantlement and transport of contaminated process equipment to these facilities. In situ long-term low-temperature (LTLT) gas phase decontamination is being developed and demonstrated at the K-25 site as a technology that has the potential to substantially lower these costs while reducing criticality and safeguards concerns and worker exposure to hazardous and radioactive materials. The objective of gas phase decontamination is to employ a gaseous reagent to fluorinate nonvolatile uranium deposits to form volatile LJF6, which can be recovered by chemical trapping or freezing. The LTLT process permits the decontamination of the inside of gas-tight GDP process equipment at room temperature by substituting a long exposure to subatmospheric C1F for higher reaction rates at higher temperatures. This paper outlines the concept for applying LTLT gas phase decontamination, reports encouraging laboratory experiments, and presents the status of the design of a prototype mobile system. Plans for demonstrating the LTLT process on full-size gaseous diffusion equipment are also outlined briefly.

  2. Hydrogen diffusion in Lead Zirconate Titanate and Barium Titanate

    SciTech Connect (OSTI)

    Alvine, Kyle J.; Vijayakumar, M.; Bowden, Mark E.; Schemer-Kohrn, Alan L.; Pitman, Stan G.

    2012-08-28

    Hydrogen is a potential clean-burning, next-generation fuel for vehicle and stationary power. Unfortunately, hydrogen is also well known to have serious materials compatibility issues in metals, polymers, and ceramics. Piezoelectric actuator materials proposed for low-cost, high efficiency high-pressure hydrogen internal combustion engines (HICE) are known to degrade rapidly in hydrogen. This limits their potential use and poses challenges for HICE. Hydrogen-induced degradation of piezoelectrics is also an issue for low-pressure hydrogen passivation in ferroelectric random access memory. Currently, there is a lack of data in the literature on hydrogen species diffusion in piezoelectrics in the temperature range appropriate for the HICE as charged via a gaseous route. We present 1HNMR quantification of the local hydrogen species diffusion within lead zirconate titanate and barium titanate on samples charged by exposure to high-pressure gaseous hydrogen ?32?MPa. Results are discussed in context of theoretically predicted interstitial hydrogen lattice sites and aqueous charging experiments from existing literature.

  3. Drill drive mechanism

    DOE Patents [OSTI]

    Dressel, Michael O.

    1979-01-01

    A drill drive mechanism is especially adapted to provide both rotational drive and axial feed for a drill of substantial diameter such as may be used for drilling holes for roof bolts in mine shafts. The drill shaft is made with a helical pattern of scroll-like projections on its surface for removal of cuttings. The drill drive mechanism includes a plurality of sprockets carrying two chains of drive links which are arranged to interlock around the drill shaft with each drive link having depressions which mate with the scroll-like projections. As the chain links move upwardly or downwardly the surfaces of the depressions in the links mate with the scroll projections to move the shaft axially. Tangs on the drive links mate with notch surfaces between scroll projections to provide a means for rotating the shaft. Projections on the drive links mate together at the center to hold the drive links tightly around the drill shaft. The entire chain drive mechanism is rotated around the drill shaft axis by means of a hydraulic motor and gear drive to cause rotation of the drill shaft. This gear drive also connects with a differential gearset which is interconnected with a second gear. A second motor is connected to the spider shaft of the differential gearset to produce differential movement (speeds) at the output gears of the differential gearset. This differential in speed is utilized to drive said second gear at a speed different from the speed of said gear drive, this speed differential being utilized to drive said sprockets for axial movement of said drill shaft.

  4. Fracture mechanics: 26. volume

    SciTech Connect (OSTI)

    Reuter, W.G.; Underwood, J.H.; Newman, J.C. Jr.

    1995-12-31

    The original objective of these symposia was to promote technical interchange between researchers from the US and worldwide in the field of fracture. This objective was recently expanded to promote technical interchange between researchers in the field of fatigue and fracture. The symposium began with the Swedlow Memorial Lecture entitled ``Patterns and Perspectives in Applied Fracture Mechanics.`` The remaining 42 papers are divided into the following topical sections: Constraint crack initiation; Constraint crack growth; Weldments; Engineered materials; Subcritical crack growth; Dynamic loading; and Applications. Papers within the scope of the Energy Data Base have been processed separately.

  5. Evaluation of Cesium, Strontium, and Lead Sorption, Desorption, and Diffusion in Volcanic Tuffs from Frenchman Flat, Nevada Test Site: Macroscopic and Spectroscopic Investigations

    SciTech Connect (OSTI)

    Charalambos Papelis; Wooyong Um

    2003-03-01

    The interaction of radionuclides and other contaminants with minerals and other aquifer materials controls the rate of migration of these contaminants in groundwater. The stronger these interactions, the more a radionuclide will be retarded. Processes such as sorption and diffusion often control the migration of inorganic compounds in aquifers. In addition, these processes are often controlled by the nature of ions of interest, the nature of the aquifer materials, and the specific geochemical conditions. Parameters describing sorption and diffusion of radionuclides and other inorganic ions on aquifer materials are used in transport codes to predict the potential for migration of these contaminants into the accessible environment. Sorption and diffusion studies can help reduce the uncertainty of radionuclide transport modeling on the Nevada Test Site (NTS) and other nuclear testing areas. For example, reliable sorption equilibrium constants, obtained under a variety of conditions, can be used to suggest a plausible sorption mechanism and to provide retardation parameters that can be used in transport models. In addition, these experiments, performed under a variety of conditions, can lead to models that can accommodate changing geochemical conditions. Desorption studies can probe the reversibility of reactions and test whether the reversibility assumed by equilibrium models is justified. Kinetic studies can be used to probe the time-dependent limitations of reactions and suggest whether an equilibrium or kinetic model may be more appropriate. Finally, spectroscopic studies can be used to distinguish between different sorption mechanisms, and provide further guidance with respect to model selection.

  6. Intermetallic phase formation and breakdown of Mo diffusion barriers in Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads

    SciTech Connect (OSTI)

    Shueh, Y.

    1988-01-01

    The purpose of this research was to study the kinetics of compound formation and the interdiffusion behavior of a sacrificial type diffusion barrier in a model system. Ni-Mo diffusion couples were annealed in an inert atmosphere at 950-1050{degree}C for 5-300 hours. Ni-Mo-Cu and Ni-Mo-Monel 400 diffusion triads with varied thicknesses of Mo layers sandwiched by Ni and C or Monel 400 disks were annealed under the same conditions. Parabolic growth of the intermetallic phase, {beta}, was observed at 1000{degree}C and 1050{degree}C in the semi-infinite Ni-Mo diffusion couple an din the Ni-Mo-Cu diffusion triad when a finite thickness of the Mo layer remained. The {beta} phase exhibited more or less planar morphology except in the case of some extremely rugged interfaces which were associated with grain boundaries adjacent to these interfaces. Dissociation and recession of the compound layer in Ni-Mo-Cu diffusion triads initiated when the Mo layer was nearly consumed. The product phases of the dissociation reaction are consistent with those predicted from the Ni-Mo-Cu ternary phase diagram. Numerical methods based on a finite difference technique, and an analytical solution based on diffusion controlled parabolic growth and quasi-steady-state approximation in the {beta} phase region were used to analyze the results.

  7. Diffuse γ-ray emission from unresolved BL Lac objects

    SciTech Connect (OSTI)

    Di Mauro, M.; Donato, F.; Lamanna, G.; Sanchez, D. A.

    2014-05-10

    Blazars, active galactic nuclei with a jet pointing toward the Earth, represent the most abundant class of high-energy extragalactic γ-ray sources. The subset of blazars known as BL Lac objects is on average closer to Earth (i.e., younger) and characterized by harder spectra at high energy than the whole sample. The fraction of BL Lacs that is too dim to be detected and resolved by current γ-ray telescopes is therefore expected to contribute to the high-energy isotropic diffuse γ-ray background (IGRB). The IGRB has been recently measured over a wide energy range by the Large Area Telescope (LAT) on board the Gamma-ray Space Telescope (Fermi). We present a new prediction of the diffuse γ-ray flux due to the unresolved BL Lac blazar population. The model is built upon the spectral energy distribution and the luminosity function derived from the fraction of BL Lacs detected (and spectrally characterized) in the γ-ray energy range. We focus our attention on the O(100) GeV energy range, predicting the emission up to the TeV scale and taking into account the absorption on the extragalactic background light. In order to better shape the BL Lac spectral energy distribution, we combine the Fermi-LAT data with Imaging Atmospheric Cerenkov Telescope measurements of the most energetic sources. Our analysis is carried on separately for low- and intermediate-synchrotron-peaked BL Lacs on the one hand and high-synchrotron-peaked BL Lacs on the other hand: we find in fact statistically different features for the two. The diffuse emission from the sum of both BL Lac classes increases from about 10% of the measured IGRB at 100 MeV to ∼100% of the data level at 100 GeV. At energies greater than 100 GeV, our predictions naturally explain the IGRB data, accommodating their softening with increasing energy. Uncertainties are estimated to be within of a factor of two of the best-fit flux up to 500 GeV.

  8. Process for forming a chromium diffusion portion and articles made therefrom

    SciTech Connect (OSTI)

    Helmick, David Andrew; Cavanaugh, Dennis William; Feng, Ganjiang; Bucci, David Vincent

    2015-12-29

    In one embodiment, a method for forming an article with a diffusion portion comprises: forming a slurry comprising chromium and silicon, applying the slurry to the article, and heating the article to a sufficient temperature and for a sufficient period of time to diffuse chromium and silicon into the article and form a diffusion portion comprising silicon and a microstructure comprising .alpha.-chromium. In one embodiment, a gas turbine component comprises: a superalloy and a diffusion portion having a depth of less than or equal to 60 .mu.m measured from the superalloy surface into the gas turbine component. The diffusion portion has a diffusion surface having a microstructure comprising greater than or equal to 40% by volume .alpha.-chromium.

  9. Process for forming a chromium diffusion portion and articles made therefrom

    DOE Patents [OSTI]

    Helmick, David Andrew; Cavanaugh, Dennis William; Feng, Ganjiang; Bucci, David Vincent

    2012-09-11

    In one embodiment, a method for forming an article with a diffusion portion comprises: forming a slurry comprising chromium and silicon, applying the slurry to the article, and heating the article to a sufficient temperature and for a sufficient period of time to diffuse chromium and silicon into the article and form a diffusion portion comprising silicon and a microstructure comprising .alpha.-chromium. In one embodiment, a gas turbine component comprises: a superalloy and a diffusion portion having a depth of less than or equal to 60 .mu.m measured from the superalloy surface into the gas turbine component. The diffusion portion has a diffusion surface having a microstructure comprising greater than or equal to 40% by volume .alpha.-chromium.

  10. An integration factor method for stochastic and stiff reaction–diffusion systems

    SciTech Connect (OSTI)

    Ta, Catherine; Wang, Dongyong; Nie, Qing

    2015-08-15

    Stochastic effects are often present in the biochemical systems involving reactions and diffusions. When the reactions are stiff, existing numerical methods for stochastic reaction diffusion equations require either very small time steps for any explicit schemes or solving large nonlinear systems at each time step for the implicit schemes. Here we present a class of semi-implicit integration factor methods that treat the diffusion term exactly and reaction implicitly for a system of stochastic reaction–diffusion equations. Our linear stability analysis shows the advantage of such methods for both small and large amplitudes of noise. Direct use of the method to solving several linear and nonlinear stochastic reaction–diffusion equations demonstrates good accuracy, efficiency, and stability properties. This new class of methods, which are easy to implement, will have broader applications in solving stochastic reaction–diffusion equations arising from models in biology and physical sciences.

  11. Diffusion and Leaching Behavior of Radionuclides in Category 3 Waste Encasement Concrete and Soil Fill Material Summary Report

    SciTech Connect (OSTI)

    Mattigod, Shas V.; Wellman, Dawn M.; Bovaird, Chase C.; Parker, Kent E.; Clayton, Libby N.; Powers, Laura; Recknagle, Kurtis P.; Wood, Marcus I.

    2011-08-31

    diffusion of radionuclides may be affected by the formation of structural cracks in concrete, the carbonation of the buried waste form, and any potential effect of metallic iron (in the form of rebars) on the mobility of radionuclides. The radionuclides iodine-129 ({sup 129}I), technetium-99 ({sup 99}Tc), and uranium-238 ({sup 238}U) are identified as long-term dose contributors in Category 3 waste (Mann et al. 2001; Wood et al. 1995). Because of their anionic nature in aqueous solutions, {sup 129}I, {sup 99}Tc, and carbonate-complexed {sup 238}U may readily leach into the subsurface environment (Serne et al. 1989, 1992a, b, 1993, and 1995). The leachability and/or diffusion of radionuclide species must be measured to assess the long-term performance of waste grouts when contacted with vadose-zone pore water or groundwater. Although significant research has been conducted on the design and performance of cementitious waste forms, the current protocol conducted to assess radionuclide stability within these waste forms has been limited to the Toxicity Characteristic Leaching Procedure, Method 1311 Federal Registry (EPA 1992) and ANSI/ANS-16.1 leach test (ANSI 1986). These tests evaluate the performance under water-saturated conditions and do not evaluate the performance of cementitious waste forms within the context of waste repositories which are located within water-deficient vadose zones. Moreover, these tests assess only the diffusion of radionuclides from concrete waste forms and neglect evaluating the mechanisms of retention, stability of the waste form, and formation of secondary phases during weathering, which may serve as long-term secondary hosts for immobilization of radionuclides. The results of recent investigations conducted under arid and semi-arid conditions (Al-Khayat et al. 2002; Garrabrants et al. 2002; Garrabrants and Kosson 2003; Garrabrants et al. 2004; Gervais et al. 2004; Sanchez et al. 2002; Sanchez et al. 2003) provide valuable information suggesting

  12. Inter-atomic force constants of BaF{sub 2} by diffuse neutron scattering measurement

    SciTech Connect (OSTI)

    Sakuma, Takashi Makhsun,; Sakai, Ryutaro; Xianglian; Takahashi, Haruyuki; Basar, Khairul; Igawa, Naoki; Danilkin, Sergey A.

    2015-04-16

    Diffuse neutron scattering measurement on BaF{sub 2} crystals was performed at 10?K and 295?K. Oscillatory form in the diffuse scattering intensity of BaF{sub 2} was observed at 295?K. The correlation effects among thermal displacements of F-F atoms were obtained from the analysis of oscillatory diffuse scattering intensity. The force constants among neighboring atoms in BaF{sub 2} were determined and compared to those in ionic crystals and semiconductors.

  13. DOE Issues Final Request for Proposal for Paducah Gaseous Diffusion Plant

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Support Services | Department of Energy Paducah Gaseous Diffusion Plant Support Services DOE Issues Final Request for Proposal for Paducah Gaseous Diffusion Plant Support Services October 6, 2014 - 4:13pm Addthis Media Contact Bill Taylor, 803-952-8564, bill.taylor@srs.gov Cincinnati -- The U.S. Department of Energy (DOE) today issued a Final Request for Proposal (RFP), for the performance of infrastructure support services at the Paducah Gaseous Diffusion Plant (PGDP), Paducah, Kentucky. A

  14. DOE - Office of Legacy Management -- Oak Ridge Gaseous Diffusion Plant - TN

    Office of Legacy Management (LM)

    02 Oak Ridge Gaseous Diffusion Plant - TN 02 FUSRAP Considered Sites Site: Oak Ridge Gaseous Diffusion Plant (TN.02 ) Designated Name: Alternate Name: Location: Evaluation Year: Site Operations: Site Disposition: Radioactive Materials Handled: Primary Radioactive Materials Handled: Radiological Survey(s): Site Status: Also see http://www.mbe.doe.gov/me70/manhattan/come_through.htm Documents Related to Oak Ridge Gaseous Diffusion Plant

  15. Method of independently operating a group of stages within a diffusion cascade

    DOE Patents [OSTI]

    Benedict, Manson; Fruit, Allen J.; Levey, Horace B.

    1976-06-08

    1. A method of operating a group of the diffusion stages of a productive diffusion cascade with countercurrent flow, said group comprising a top and a bottom stage, which comprises isolating said group from said cascade, circulating the diffused gas produced in said top stage to the feed of said bottom stage while at the same time circulating the undiffused gas from said bottom stage to the feed of said top stage whereby major changes in

  16. A stochastic diffusion process for Lochner's generalized Dirichlet distribution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bakosi, J.; Ristorcelli, J. R.

    2013-10-01

    The method of potential solutions of Fokker-Planck equations is used to develop a transport equation for the joint probability of N stochastic variables with Lochner’s generalized Dirichlet distribution as its asymptotic solution. Individual samples of a discrete ensemble, obtained from the system of stochastic differential equations, equivalent to the Fokker-Planck equation developed here, satisfy a unit-sum constraint at all times and ensure a bounded sample space, similarly to the process developed in for the Dirichlet distribution. Consequently, the generalized Dirichlet diffusion process may be used to represent realizations of a fluctuating ensemble of N variables subject to a conservation principle.more » Compared to the Dirichlet distribution and process, the additional parameters of the generalized Dirichlet distribution allow a more general class of physical processes to be modeled with a more general covariance matrix.« less

  17. A Stochastic Diffusion Process for the Dirichlet Distribution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bakosi, J.; Ristorcelli, J. R.

    2013-01-01

    The method of potential solutions of Fokker-Planck equations is used to develop a transport equation for the joint probability of N coupled stochastic variables with the Dirichlet distribution as its asymptotic solution. To ensure a bounded sample space, a coupled nonlinear diffusion process is required: the Wiener processes in the equivalent system of stochastic differential equations are multiplicative with coefficients dependent on all the stochastic variables. Individual samples of a discrete ensemble, obtained from the stochastic process, satisfy a unit-sum constraint at all times. The process may be used to represent realizations of a fluctuating ensemble of N variablesmore » subject to a conservation principle. Similar to the multivariate Wright-Fisher process, whose invariant is also Dirichlet, the univariate case yields a process whose invariant is the beta distribution. As a test of the results, Monte Carlo simulations are used to evolve numerical ensembles toward the invariant Dirichlet distribution.« less

  18. Stress enhanced diffusion of krypton ions in polycrystalline titanium

    SciTech Connect (OSTI)

    Nsengiyumva, S.; Raji, A. T.; Rivière, J. P.; Britton, D. T.; Härting, M.

    2014-07-14

    An experimental investigation on the mutual influence of pre-existing residual stress and point defect following ion implantation is presented. The study has been carried out using polycrystalline titanium samples energetically implanted with krypton ions at different fluences. Ion beam analysis was used to determine the concentration profile of the injected krypton ions, while synchrotron X-ray diffraction has been used for stress determination. Ion beam analysis and synchrotron X-ray diffraction stress profile measurements of the implanted titanium samples show a clear evidence of stress-enhanced diffusion of krypton ions in titanium. It is further observed that for the titanium samples implanted at low fluence, ion implantation modifies the pre-existing residual stress through the introduction of point and open volume defects. The stress fields resulting from the ion implantation act to drift the krypton inclusions towards the surface of titanium.

  19. Paducah Gaseous Diffusion Plant environmental report for 1989

    SciTech Connect (OSTI)

    Turner, J.W. )

    1990-10-01

    This two-part environmental report is published annually. It reflects the results of a comprehensive, year-round program to monitor the impact of operations at Paducah Gaseous Diffusion Plant (PGDP) on the area's groundwater and surface waters, soil, air quality, vegetation, and wildlife. In addition, an assessment of the effect of PGDP effluents on the resident human population is made. PGDP's overall goal for environmental management is to protect the environment and PGDP's neighbors and to maintain full compliance with all current regulations. The current environmental strategy is to identify any deficiencies and to develop a system to resolve them. The long-range goal of environmental management is to minimize the source of pollutants, to reduce the formation of waste, and to minimize hazardous waste by substitution of materials. 36 refs.

  20. Seismic issues at the Paducah Gaseous Diffusion Plant

    SciTech Connect (OSTI)

    Fricke, K.E. )

    1989-11-01

    A seismic expert workshop was held at the Paducah Gaseous Diffusion Plant (PGDP) on March 13--15, 1989. the PGDP is operated by Martin Marietta Energy Systems, Inc. for the United States Department of Energy (DOE). During the last twenty years the design criteria for natural phenomenon hazards has steadily become more demanding at all of the DOE Oak Ridge Operations (ORO) sites. The purpose of the two-day workshop was to review the seismic vulnerability issues of the PGDP facilities. Participants to the workshop included recognized experts in the fields of seismic engineering, seismology and geosciences, and probabilistic analysis, along with engineers and other personnel from Energy Systems. A complete list of the workshop participants is included in the front of this report. 29 refs.

  1. Paducah Gaseous Diffusion Plant Annual Site Environmental Report for 1993

    SciTech Connect (OSTI)

    Not Available

    1994-10-01

    The purpose of this document is to summarize effluent monitoring and environmental surveillance results and compliance with environmental laws, regulations, and orders at the Paducah Gaseous Diffusion Plant (PGDP). Environmental monitoring at PGDP consists of two major activities: effluent monitoring and environmental surveillance. Effluent monitoring is direct measurement or the collection and analysis of samples of liquid and gaseous discharges to the environment. Environmental surveillance is direct measurement or the collection and analysis of samples of air, water, soil, foodstuff, biota, and other media. Environmental monitoring is performed to characterize and quantify contaminants, assess radiation exposures of members of the public, demonstrate compliance with applicable standards and permit requirements, and detect and assess the effects (if any) on the local environment. Multiple samples are collected throughout the year and are analyzed for radioactivity, chemical content, and various physical attributes.

  2. Portsmouth Gaseous Diffusion Plant annual site environmental report for 1993

    SciTech Connect (OSTI)

    Horak, C.M.

    1994-11-01

    This calendar year (CY) 1993 annual report on environmental monitoring of the US Department of Energy`s (DOE`s) Portsmouth Gaseous Diffusion Plant (Portsmouth) and its environs consists of three separate documents: a summary pamphlet for the general public; a more detail discussion and of compliance status, data, and environmental impacts (this document); and a volume of detailed data that is available on request. The objectives of this report are to report compliance status during 1993; provide information about the plant site and plant operations; report 1993 monitoring data for the installation and its environs that may have been affected by operations on the plant site; document information on input and assumptions used in calculations; provide trend analyses (where appropriate) to indicate increases and decreases in environmental impact, and provide general information on quality assurance for the environmental monitoring program.

  3. Technology diffusion of energy-related products in residential markets

    SciTech Connect (OSTI)

    Davis, L.J.; Bruneau, C.L.

    1987-05-01

    Acceptance of energy-related technologies by end residential consumers, manufacturers of energy-related products, and other influential intermediate markets such as builders will influence the potential for market penetration of innovative energy-related technologies developed by the Department of Energy, Office of Building and Community Systems (OBCS). In this report, Pacific Northwest Laboratory reviewed the available information on technology adoption, diffusion, and decision-making processes to provide OBCS with a background and understanding of the type of research that has previously been conducted on this topic. Insight was gained as to the potential decision-making criteria and motivating factors that influence the decision-maker(s) selection of new technologies, and some of the barriers to technology adoption faced by potential markets for OBCS technologies.

  4. Diffusion-controlled creep in mixed-conducting oxides

    SciTech Connect (OSTI)

    Routbort, J.L.; Goretta, K.C.; Cook, R.E.; Wolfenstine, J.; Armstrong, T.R.; Clauss, C.; Dominguez-Rodriguez, A.

    1996-06-01

    Steady-state creep rate of the mixed conducting oxides La{sub 1-x}Sr{sub x}MnO{sub 3} (x=0.1, 0.15, 0.25) and La{sub 0.7}Ca{sub 0.3}MnO{sub 3} has been investigated between 1150 and 1300 C. Creep parameters and TEM indicate that deformation is controlled by lattice diffusion of one of the cations. Dependence of creep rate on Sr concentration, combined with a point-defect model, confirms this hypothesis; however the oxygen partial pressure dependence of creep (from 10{sup -1} to 2x10{sup 4} Pa) cannot be accounted for within the framework of a simple point-defect model.

  5. On Perturbation Components Correspondence between Diffusion and Transport

    SciTech Connect (OSTI)

    G. Palmiotti

    2012-11-01

    We have established a correspondence between perturbation components in diffusion and transport theory. In particular we have established the correspondence between the leakage perturbation component of the diffusion theory to that of the group self scattering in transport theory. This has been confirmed by practical applications on sodium void reactivity calculations of fast reactors. Why this is important for current investigations? Recently, there has been a renewed interest in designing fast reactors where the sodium void reactivity coefficient is minimized. In particular the ASTRID8,9 reactor concept has been optimized with this goal in mind. The correspondence on the leakage term that has been established here has a twofold implication for the design of this kind of reactors. First, this type of reactor has a radial reflector; therefore, as shown before, the sodium void reactivity coefficient calculation requires the use of transport theory. The minimization of the sodium reactivity coefficient is normally done by increasing the leakage component that has a negative sign. The correspondence established in this paper allows to directly look at this component in transport theory. The second implication is related to the uncertainty evaluation on sodium void reactivity. As it has shown before, the total sodium void reactivity effect is the result of a large compensation (opposite sign) between the scattering (called often spectral) component and the leakage one. Consequently, one has to evaluate separately the uncertainty on each separate component and then combine them statistically. If one wants to compute the cross section sensitivity coefficients of the two different components, the formulation established in this paper allows to achieve this goal by playing on the contribution to the sodium void reactivity coming from the group self scattering of the sodium cross section.

  6. Speckle contrast diffuse correlation tomography of complex turbid medium flow

    SciTech Connect (OSTI)

    Huang, Chong; Irwin, Daniel; Lin, Yu; Shang, Yu; He, Lian; Kong, Weikai; Yu, Guoqiang; Luo, Jia

    2015-07-15

    Purpose: Developed herein is a three-dimensional (3D) flow contrast imaging system leveraging advancements in the extension of laser speckle contrast imaging theories to deep tissues along with our recently developed finite-element diffuse correlation tomography (DCT) reconstruction scheme. This technique, termed speckle contrast diffuse correlation tomography (scDCT), enables incorporation of complex optical property heterogeneities and sample boundaries. When combined with a reflectance-based design, this system facilitates a rapid segue into flow contrast imaging of larger, in vivo applications such as humans. Methods: A highly sensitive CCD camera was integrated into a reflectance-based optical system. Four long-coherence laser source positions were coupled to an optical switch for sequencing of tomographic data acquisition providing multiple projections through the sample. This system was investigated through incorporation of liquid and solid tissue-like phantoms exhibiting optical properties and flow characteristics typical of human tissues. Computer simulations were also performed for comparisons. A uniquely encountered smear correction algorithm was employed to correct point-source illumination contributions during image capture with the frame-transfer CCD and reflectance setup. Results: Measurements with scDCT on a homogeneous liquid phantom showed that speckle contrast-based deep flow indices were within 12% of those from standard DCT. Inclusion of a solid phantom submerged below the liquid phantom surface allowed for heterogeneity detection and validation. The heterogeneity was identified successfully by reconstructed 3D flow contrast tomography with scDCT. The heterogeneity center and dimensions and averaged relative flow (within 3%) and localization were in agreement with actuality and computer simulations, respectively. Conclusions: A custom cost-effective CCD-based reflectance 3D flow imaging system demonstrated rapid acquisition of dense boundary

  7. Voluntary Protection Program Onsite Review, Infrastructure Support Contract Paducah Gaseous Diffusion Plant- May 2013

    Broader source: Energy.gov [DOE]

    Evaluation to determine whether Infrastructure Support Contract Paducah Gaseous Diffusion Plant is continuing to perform at a level deserving DOE-VPP Star recognition.

  8. OSTIblog Articles in the diffusion Topic | OSTI, US Dept of Energy...

    Office of Scientific and Technical Information (OSTI)

    DOE Green Energy site, offers more information on the SunShot Initiative Additional Resources: Solar Energy Evolution and Diffusion Studies (SEEDS) Award Selections SunShot ...

  9. Gas Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Diffusion in a Porous Organic Cage: Analysis of Dynamic Pore Connectivity Using Molecular Dynamics Simulations Previous Next List Daniel Holden, Kim E. Jelfs, Abbie Trewin, David...

  10. Lateral diffusion contributes to FRET from lanthanide-tagged membrane proteins

    SciTech Connect (OSTI)

    Lan, Tien-Hung; Wu, Guangyu; Lambert, Nevin A.

    2015-08-14

    Diffusion can enhance Förster resonance energy transfer (FRET) when donors or acceptors diffuse distances that are similar to the distances separating them during the donor's excited state lifetime. Lanthanide donors remain in the excited state for milliseconds, which makes them useful for time-resolved FRET applications but also allows time for diffusion to enhance energy transfer. Here we show that diffusion dramatically enhances FRET between membrane proteins labeled with lanthanide donors. This phenomenon complicates interpretation of experiments that use long-lived donors to infer association or proximity of mobile membrane proteins, but also offers a method of monitoring diffusion in membrane domains in real time in living cells. - Highlights: • Diffusion enhances TR-FRET from membrane proteins labeled with lanthanide donors. • Diffusion-dependent FRET can overshadow FRET due to oligomerization or clustering. • FRET studies using lanthanide-tagged membrane proteins should consider diffusion. • FRET from lanthanide donors can be used to monitor membrane protein diffusion.

  11. Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study

    SciTech Connect (OSTI)

    Alfonso, Dominic R.; Tafen, De Nyago

    2015-04-28

    The atomic diffusion in fcc NiAl binary alloys was studied by kinetic Monte Carlo simulation. The environment dependent hopping barriers were computed using a pair interaction model whose parameters were fitted to relevant data derived from electronic structure calculations. Long time diffusivities were calculated and the effect of composition change on the tracer diffusion coefficients was analyzed. These results indicate that this variation has noticeable impact on the atomic diffusivities. A reduction in the mobility of both Ni and Al is demonstrated with increasing Al content. As a result, examination of the pair interaction between atoms was carried out for the purpose of understanding the predicted trends.

  12. 1-nm-thick graphene tri-layer as the ultimate copper diffusion barrier

    SciTech Connect (OSTI)

    Nguyen, Ba-Son [Department of Mechanical Engineering, National Cheng Kung University, 1 University Road, Tainan 701, Taiwan (China); Lin, Jen-Fin [Department of Mechanical Engineering, National Cheng Kung University, 1 University Road, Tainan 701, Taiwan (China); Center for Micro/Nano Science and Technology, National Cheng Kung University, 1 University Road, Tainan 701, Taiwan (China); Perng, Dung-Ching, E-mail: dcperng@ee.ncku.edu.tw [Institute of Microelectronics and Electrical Engineering Department, National Cheng Kung University, 1 University Road, Tainan 701, Taiwan (China); Center for Micro/Nano Science and Technology, National Cheng Kung University, 1 University Road, Tainan 701, Taiwan (China)

    2014-02-24

    We demonstrate the thinnest ever reported Cu diffusion barrier, a 1-nm-thick graphene tri-layer. X-ray diffraction patterns and Raman spectra show that the graphene is thermally stable at up to 750?C against Cu diffusion. Transmission electron microscopy images show that there was no inter-diffusion in the Cu/graphene/Si structure. Raman analyses indicate that the graphene may have degraded into a nanocrystalline structure at 750?C. At 800?C, the perfect carbon structure was damaged, and thus the barrier failed. The results of this study suggest that graphene could be the ultimate Cu interconnect diffusion barrier.

  13. EA-1856: Conveyance of Real Property at the Portsmouth Gaseous Diffusion Plant in Pike County, Ohio

    Broader source: Energy.gov [DOE]

    This EA will evaluate the environmental impacts of conveyance of land and facilities at the Portsmouth Gaseous Diffusion Plant, in Piketon, Ohio, for economic development purposes.

  14. Voluntary Protection Program Onsite Review, Infrastructure Support Contract Paducah Gaseous Diffusion Plant- March 2012

    Broader source: Energy.gov [DOE]

    Evaluation to determine whether the Infrastructure Support Contract Paducah Gaseous Diffusion Plant is continuing to perform at a level deserving DOE-VPP Star recognition.

  15. Fundamental Study of the Mechanical Strength Degradation Mechanisms of PFSA

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Membranes and MEAs | Department of Energy Fundamental Study of the Mechanical Strength Degradation Mechanisms of PFSA Membranes and MEAs Fundamental Study of the Mechanical Strength Degradation Mechanisms of PFSA Membranes and MEAs Presentation at the 2008 High Temperature Membrane Working Group Meeting held June 9, 2008, in Washington, DC huang_htmwg_2008.pdf (2.27 MB) More Documents & Publications Membrane Durability in PEM Fuel Cells: Chemical Degradation Automotive Perspective on PEM

  16. Microfabricated therapeutic actuator mechanisms

    DOE Patents [OSTI]

    Northrup, M.A.; Ciarlo, D.R.; Lee, A.P.; Krulevitch, P.A.

    1997-07-08

    Electromechanical microstructures (microgrippers), either integrated circuit (IC) silicon-based or precision machined, to extend and improve the application of catheter-based interventional therapies for the repair of aneurysms in the brain or other interventional clinical therapies. These micromechanisms can be specifically applied to release platinum coils or other materials into bulging portions of the blood vessels also known as aneurysms. The ``micro`` size of the release mechanism is necessary since the brain vessels are the smallest in the body. Through a catheter more than one meter long, the micromechanism located at one end of the catheter can be manipulated from the other end thereof. The microgripper (micromechanism) of the invention will also find applications in non-medical areas where a remotely actuated microgripper or similar actuator would be useful or where micro-assembling is needed. 22 figs.

  17. Microfabricated therapeutic actuator mechanisms

    DOE Patents [OSTI]

    Northrup, Milton A.; Ciarlo, Dino R.; Lee, Abraham P.; Krulevitch, Peter A.

    1997-01-01

    Electromechanical microstructures (microgrippers), either integrated circuit (IC) silicon-based or precision machined, to extend and improve the application of catheter-based interventional therapies for the repair of aneurysms in the brain or other interventional clinical therapies. These micromechanisms can be specifically applied to release platinum coils or other materials into bulging portions of the blood vessels also known as aneurysms. The "micro" size of the release mechanism is necessary since the brain vessels are the smallest in the body. Through a catheter more than one meter long, the micromechanism located at one end of the catheter can be manipulated from the other end thereof. The microgripper (micromechanism) of the invention will also find applications in non-medical areas where a remotely actuated microgripper or similar actuator would be useful or where micro-assembling is needed.

  18. Altitude release mechanism

    DOE Patents [OSTI]

    Kulhanek, Frank C.

    1977-01-01

    An altitude release mechanism for releasing a radiosonde or other measuring instrument from a balloon carrying it up into the atmosphere includes a bottle partially filled with water, a tube sealed into the bottle having one end submerged in the water in the bottle and the free end extending above the top of the bottle and a strip of water-disintegrable paper held within the free end of the tube linking the balloon to the remainder of the package. As the balloon ascends, the lowered atmospheric air pressure causes the air in the bottle to expand, forcing the water in the bottle up the tubing to wet and disintegrate the paper, releasing the package from the balloon.

  19. Rotary drive mechanism

    SciTech Connect (OSTI)

    Kenderdine, E.W.

    1991-10-08

    This patent describes a rotary drive mechanism which includes a rotary solenoid having a stator and multi-poled rotor. A moving member rotates with the rotor and is biased by a biasing device. The biasing device causes a further rotational movement after rotation by the rotary solenoid. Thus, energization of the rotary solenoid moves the member in one direction to one position and biases the biasing device against the member. Subsequently, de- energization of the rotary solenoid causes the biasing device to move the member in the same direction to another position from where the moving member is again movable by energization and de-energization of the rotary solenoid. Preferably, the moving member is a multi-lobed cam having the same number of lobes as the rotor has poles. An anti- overdrive device is also preferably provided for preventing overdrive in the forward direction or a reverse rotation of the moving member and for precisely aligning the moving member.

  20. Mechanically expandable annular seal

    DOE Patents [OSTI]

    Gilmore, Richard F.

    1983-01-01

    A mechanically expandable annular reusable seal assembly to form an annular hermetic barrier between two stationary, parallel, and planar containment surfaces. A rotatable ring, attached to the first surface, has ring wedges resembling the saw-tooth array of a hole saw. Matching seal wedges are slidably attached to the ring wedges and have their motion restricted to be perpendicular to the second surface. Each seal wedge has a face parallel to the second surface. An annular elastomer seal has a central annular region attached to the seal wedges' parallel faces and has its inner and outer circumferences attached to the first surface. A rotation of the ring extends the elastomer seal's central region perpendicularly towards the second surface to create the fluidtight barrier. A counterrotation removes the barrier.