National Library of Energy BETA

Sample records for vapor-phase diffusion mechanisms

  1. 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 open the possibility to apply scientific information obtained from the studies with simple surfaces like HOPG under ideal conditions (UHV) to industrial sorbents under realistic process conditions. HOPG surface can be modified chemically and topologically by plasma oxidation to simulate key features of activated carbon adsorbents.

  2. Vapor phase modifiers for oxidative coupling

    DOE Patents [OSTI]

    Warren, Barbara K. (Charleston, WV)

    1991-01-01

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

  3. 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.

  4. 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.

  5. Propane-induced biodegradation of vapor phase trichloroethylene (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Propane-induced biodegradation of vapor phase trichloroethylene Citation Details In-Document Search Title: Propane-induced biodegradation of vapor phase trichloroethylene Microbial degradation of trichloroethylene (TCE) has been demonstrated under aerobic conditions with propane. The primary objective of this research was to evaluate the feasibility of introducing a vapor phase form of TCE in the presence of propane to batch bioreactors containing a liquid phase

  6. 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.

  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. Mechanistic aspects of vapor phase lubrication of silicon. (Conference) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Mechanistic aspects of vapor phase lubrication of silicon. Citation Details In-Document Search Title: Mechanistic aspects of vapor phase lubrication of silicon. No abstract prepared. Authors: Dugger, Michael Thomas ; Dirk, Shawn M. ; Ohlhausen, James Anthony Publication Date: 2010-10-01 OSTI Identifier: 1028381 Report Number(s): SAND2010-7362C TRN: US201122%%249 DOE Contract Number: AC04-94AL85000 Resource Type: Conference Resource Relation: Conference: Proposed for

  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

    DOE Patents [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. The role of polymer formation during vapor phase lubrication of silicon.

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect The role of polymer formation during vapor phase lubrication of silicon. Citation Details In-Document Search Title: The role of polymer formation during vapor phase lubrication of silicon. 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

  14. 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.

  15. 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.

  16. 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 (2–5)?×?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.

  17. 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.

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

    SciTech Connect (OSTI)

    Duc, Tran Thien; Pozina, Galia; Son, Nguyen Tien; Janzén, 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.

  19. 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.

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

    DOE Patents [OSTI]

    Hou, Hong Q. (Albuquerque, NM); Coltrin, Michael E. (Albuquerque, NM); Choquette, Kent D. (Albuquerque, NM)

    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.

  1. 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 assembled to treat the off-gas from the SMZ regeneration process. These columns will be used both in the laboratory and in the proposed field testing to be conducted next year. Innocula for the columns that degrade all of the BTEX columns have been developed.

  2. 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 air sparging. To this end, we conducted batch and column laboratory SMZ and VPB experiments with synthetic and actual produced waters. Based on the results of the laboratory testing, a pilot scale study was designed and conducted to evaluate the combined SMZ/VPB process. An economic and regulatory feasibility analysis was also completed as part of the current study to assess the viability of the process for various water re-use options.

  3. 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

    This report summarizes work performed on this project from October 2004 through March 2005. In previous work, a surfactant modified zeolite (SMZ) was shown to be an effective system for removing BTEX contaminants from produced water. Additional work on this project demonstrated that a compost-based biofilter could biodegrade the BTEX contaminants found in the SMZ regeneration waste gas stream. However, it was also determined that the BTEX concentrations in the waste gas stream varied significantly during the regeneration period and the initial BTEX concentrations were too high for the biofilter to handle effectively. A series of experiments were conducted to determine the feasibility of using a passive adsorption column placed upstream of the biofilter to attenuate the peak gas-phase VOC concentrations delivered to the biofilter during the SMZ regeneration process. In preparation for the field test of the SMZ/VPB treatment system in New Mexico, a pilot-scale SMZ system was also designed and constructed during this reporting period. Finally, a cost and feasibility analysis was also completed. To investigate the merits of the passive buffering system during SMZ regeneration, two adsorbents, SMZ and granular activated carbon (GAC) were investigated in flow-through laboratory-scale columns to determine their capacity to handle steady and unsteady VOC feed conditions. When subjected to a toluene-contaminated air stream, the column containing SMZ reduced the peak inlet 1000 ppmv toluene concentration to 630 ppmv at a 10 second contact time. This level of buffering was insufficient to ensure complete removal in the downstream biofilter and the contact time was longer than desired. For this reason, using SMZ as a passive buffering system for the gas phase contaminants was not pursued further. In contrast to the SMZ results, GAC was found to be an effective adsorbent to handle the peak contaminant concentrations that occur early during the SMZ regeneration process. At a one 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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 DST’s is given at the end of this report.

  8. 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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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) Evaluate the capability of an SMZ/MBR system to remove carboxylates and BTEX from produced water in a field trial. Laboratory experiments were conducted to provide a better understanding of each component of the SMZ/VPB and SMZ/MBR process. Laboratory VPB studies were designed to address the issue of influent variability and periodic operation (see DE-FC26-02NT15461). These experiments examined multiple influent loading cycles and variable concentration loadings that simulate air sparging as the regeneration option for the SMZ system. Two pilot studies were conducted at a produced water processing facility near Farmington, New Mexico. The first field test evaluated SMZ adsorption, SMZ regeneration, VPB buffering, and VPB performance, and the second test focused on MBR and SMZ/MBR operation. The design of the field studies were based on the results from the previous field tests and laboratory studies. Both of the biological treatment systems were capable of removing the BTEX constituents in the laboratory and in the field over a range of operating conditions. For the VPB, separation of the BTEX constituents from the saline aqueous phase yielded high removal efficiencies. However, carboxylates remained in the aqueous phase and were not removed in the combined VPB/SMZ system. In contrast, the MBR was capable of directly treating the saline produced water and simultaneously removing the BTEX and carboxylate constituents. The major limitation of the MBR system is the potential for membrane fouling, particularly when the system is treating produced water under field conditions. The combined process was able to effectively pretreat water for reverse osmosis treatment and subsequent downstream reuse options including utilization in power generation facilities. The specific conclusions that can be drawn from this study are summarized.

  15. 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; Elsässer, 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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 species. Additionally, the temperature dependence of the diffusion coefficient of Si in Ge was measured over the temperature range of 550 C to 900 C using a buried Si layer in an epitaxially grown Ge layer.

  20. 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.

  1. 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.

  2. Parallel flow diffusion battery

    DOE Patents [OSTI]

    Yeh, Hsu-Chi (Albuquerque, NM); Cheng, Yung-Sung (Albuquerque, NM)

    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.

  3. Microfabricated diffusion source

    DOE Patents [OSTI]

    Oborny, Michael C. (Albuquerque, NM); Frye-Mason, Gregory C. (Cedar Crest, NM); Manginell, Ronald P. (Albuquerque, NM)

    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.

  4. 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 ...

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

    Office of Scientific and Technical Information (OSTI)

    Subject: 32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATION; ALCOHOLS; ALKENES; LUBRICATION; MASS SPECTROSCOPY; MOLECULAR WEIGHT; OXYGEN; PENTANOLS; POLYMERIZATION; POLYMERS; ...

  6. Analytical solutions to matrix diffusion problems

    SciTech Connect (OSTI)

    Kekäläinen, 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.

  7. First-principles studies on vacancy-modified interstitial diffusion

    Office of Scientific and Technical Information (OSTI)

    mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques (Journal Article) | SciTech Connect First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques Citation Details In-Document Search Title: First-principles studies on vacancy-modified interstitial diffusion mechanism of oxygen in nickel, associated with large-scale atomic simulation techniques Authors: Fang, H

  8. 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.

  9. 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.

  10. 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.

  11. Continuum modeling of diffusion and dispersion in dense granular flows

    Office of Scientific and Technical Information (OSTI)

    (Conference) | SciTech Connect Continuum modeling of diffusion and dispersion in dense granular flows Citation Details In-Document Search 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 Laboratory [Los Alamos National Laboratory Mechanical & Aerospace Engineering, Princeton University [Mechanical & Aerospace Engineering, Princeton University Publication

  12. 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 Fuel Cycle Defense Waste Management

  13. Portsmouth Gaseous Diffusion Plant

    Broader source: Energy.gov [DOE]

    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 Shutdown requirements; disposition of depleted uranium hexafluoride cylinders; and perform Decontamination and Decommissioning.

  14. 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.

  15. Diffuse Shortwave Intensive Observation Period

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

    1 Diffuse Shortwave Intensive Observation Period The Diffuse Shortwave IOP ran from September 23 to October 12, 2001. During this IOP, Joe Michalsky (The State University of New York-Albany) and Tom Stoffel (National Renewable Energy Laboratory) deployed approximately 15 radiometers of various designs and manufacturers on the SGP Radiometer Calibration Facility. The purpose was to compare the accuracy of the radiometers for diffuse shortwave measurements. The Scripps Institution of Oceanography

  16. Light diffusing fiber optic chamber

    DOE Patents [OSTI]

    Maitland, Duncan J. (Lafayette, CA)

    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.

  17. 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.

  18. 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.

  19. 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.

  20. 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

  1. 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.

  2. Luminescent Concentration of Diffuse Light

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

    Luminescent Concentration of Diffuse Light Achieving 30X Concentration Work w as p erformed a t L BL a nd U IUC Bronstein, N .D.; Y ao, Y .; X u, L .; O 'Brien, E .; P owers, A...

  3. Boron diffusion in silicon devices

    DOE Patents [OSTI]

    Rohatgi, Ajeet (Atlanta, GA); Kim, Dong Seop (Atlanta, GA); Nakayashiki, Kenta (Smyrna, GA); Rounsaville, Brian (Stockbridge, GA)

    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.

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

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

    January 2013 Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - January 2013 January 2013 Review of the Portsmouth Gaseous Diffusion Plant Work Planning and Control...

  5. 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.

  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. 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

  8. 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.

  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. Pipe diffusion at dislocations in UO2

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

    of pipe diffusion to the overall O 2 and U 4+ diffusion is also discussed. 2014 Elsevier B.V. All rights reserved. 1. Introduction During its lifetime in-pile nuclear fuel...

  11. Independent Oversight Review, Portsmouth Gaseous Diffusion Plant -

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

    November 2013 | Department of Energy Portsmouth Gaseous Diffusion Plant - November 2013 Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - November 2013 November 5, 2013 Review of Preparedness for Severe Natural Phenomena Events at the Portsmouth Gaseous Diffusion Plant This report documents the results of an independent oversight review of the preparedness of the DOE Portsmouth/Paducah Project Office, contractors at the DOE Portsmouth Gaseous Diffusion Plant, and selected

  12. 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.

  13. 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.

  14. 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)

  15. 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 axisymmetric diffusion experiment coupled with tracer profiling may be a promising approach to estimate of diffusion anisotropy of sedimentary rocks.

  16. 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.

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

    Office of Scientific and Technical Information (OSTI)

    DIFFUSION; MEMBRANES; METHANOL; TRANSPORT; WATER; GOLD; SURFACES; COMPUTER CALCULATIONS DIFFUSION; WATER; METHANOL; GOLD; MEMBRANES; SURFACES; COMPUTER CALCULATIONS Word Cloud ...

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

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

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

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. 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{sub 2{+-}x}, which compare favorably to available experiments. This is an extension of previous work [13]. In particular, it applies improved chemistry models for the UO{sub 2{+-}x} nonstoichiometry and its impact on the fission gas activation energies. The derivation of these models follows the approach that used in our recent study of uranium vacancy diffusion in UO{sub 2} [14]. Also, based on the calculated DFT data we analyze vacancy enhanced diffusion mechanisms in the intermediate temperature regime. In addition to vacancy enhanced diffusion we investigate species transport on the (111) UO{sub 2} surface. This is motivated by the formation of small voids partially filled with fission gas atoms (bubbles) in UO{sub 2} under irradiation, for which surface diffusion could be the rate-limiting transport step. Diffusion of such bubbles constitutes an alternative mechanism for mass transport in these materials.

  5. 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.

  6. 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.

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

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

    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 ...

  8. Permeation, Diffusion, Solubility Measurements: Results and Issues...

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

    Permeation, Diffusion, Solubility Measurements: Results and Issues Research Objectives: To understand the hydrogen transport behavior Under conditions relevant to hydrogen delivery ...

  9. Diffuse Irradiance Study Planned for October

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

    and radiometers installed at the SGP CART site near Lamont, Oklahoma. The instruments measuring diffuse solar radiation have black sphere-shaped shades to keep direct sunlight from...

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

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

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

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

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

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

  12. Vapor Barriers or Vapor Diffusion Retarders

    Broader source: Energy.gov [DOE]

    In most U.S. climates, vapor diffusion retarders can help prevent moisture problems, increase energy efficiency, and improve comfort in homes.

  13. 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.

  14. Diffusion Databases for ICME | Department of Energy

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

    ICME Diffusion Databases for ICME 2011 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation PDF icon lm036_warren_2011_o.pdf More Documents & Publications Diffusion Databases for Mg-ICME Vehicle Technologies Office: 2010 Lightweight Materials R&D Annual Progress Report Low-Cost Direct Bonded Aluminum (DBA) Substrates

  15. 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.

  16. 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.

  17. 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.

  18. 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 gradient—in the vicinity of the snow line—of 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.

  19. 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

  20. 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.

  1. 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)

  2. 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.

  3. 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

  4. 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.

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

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

    Collective-Diffusion Behavior of Adsorbed Gases | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Diffusion In Confinement: Kinetic Simulations of Self- and Collective-Diffusion Behavior of Adsorbed Gases

  6. 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.

  7. 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.

  8. 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

  9. 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...

  10. 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 ... Title: Generalizing the self-healing diffusion Monte Carlo approach to finite temperature: ...

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

    Office of Scientific and Technical Information (OSTI)

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

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

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

    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 ...

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

    Office of Scientific and Technical Information (OSTI)

    Continuum modeling of diffusion and dispersion in dense granular flows Citation Details In-Document Search Title: Continuum modeling of diffusion and dispersion in dense granular...

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

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

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

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

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

    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...

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

    Office of Scientific and Technical Information (OSTI)

    Diffusion releases through one and two finite planar zones from a nuclear waste package Citation Details In-Document Search Title: Diffusion releases through one and two finite...

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

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Diffusion releases through one and two finite planar zones from a nuclear waste package Citation Details In-Document Search Title: Diffusion releases through one...

  18. 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.

  19. 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.

  20. 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

  1. 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, (2001)]. Many of the findings which will be reported here were previously published in three journal articles. Hartmut Bracht was the lead author on two articles on self-diffusion studies in GaSb [Bracht, (2001), (2000)], while this report's author was the lead author on Zn diffusion results [Nicols, (2001)]. Much of the information contained herein can be found in those articles, but a more detailed treatment is presented here.

  2. 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

  3. 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)

  4. 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.

  5. 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.

  6. Multiscale simulation of xenon diffusion and grain boundary segregation in UOâ‚‚

    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

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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.

  15. 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

  16. 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.

  17. 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...

  18. 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 DER adoption, and thus, shift building energy consumption to a more efficient alternative.

  19. Gas mixture for diffuse-discharge switch

    DOE Patents [OSTI]

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

    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.

  20. 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.

  1. Glass Membrane For Controlled Diffusion Of Gases

    DOE Patents [OSTI]

    Shelby, James E. (Alfred Station, NY); Kenyon, Brian E. (Pittsburgh, PA)

    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.

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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

  8. 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 and contaminant remediation.

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

    Office of Legacy Management (LM)

    01 Paducah Gaseous Diffusion Plant - KY 01 FUSRAP Considered Sites Site: Paducah Gaseous Diffusion Plant (KY.01 ) 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.oakridge.doe.gov/factsheets/paducgdp.htm Documents Related to Paducah Gaseous Diffusion Plant

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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 ~?m length scales, expect for polymer transport within nanoporous carbons where additional chemical resolution improves the resolvable heterogeneous length scale to hundreds of nm.

  15. 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.

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

    DOE Patents [OSTI]

    Tuttle, John R. (Denver, CO); Contreras, Miguel A. (Golden, CO); Noufi, Rommel (Golden, CO); Albin, David S. (Denver, CO)

    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.

  17. 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) [Pinson, AL; Felix, Larry Gordon (Pelham, AL) [Pelham, AL; Snyder, Todd Robert (Birmingham, AL) [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.

  18. Method and apparatus 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)

    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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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; Warmack, Robert J Bruce; Radhakrishnan, Balasubramaniam; HunterJr., Jerry; Sohn, Yong Ho; Coffey, Kevin; Murch, Prof. Graeme; Belova, Irina

    2014-01-01

    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

  4. 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.

  5. Narrow groove welding gas diffuser assembly and welding torch

    DOE Patents [OSTI]

    Rooney, Stephen J. (East Berne, NY)

    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.

  6. Independent Activity Report, Portsmouth Gaseous Diffusion Plant - August

    Office of Environmental Management (EM)

    2011 | Department of Energy Portsmouth Gaseous Diffusion Plant - August 2011 Independent Activity Report, Portsmouth Gaseous Diffusion Plant - August 2011 August 2011 Orientation Visit to the Portsmouth Gaseous Diffusion Plant [HIAR-PORTS-2011-08-03] This Independent Activity Report documents an operational awareness activity conducted by Office of Health, Safety and Security's (HSS) Office of Safety and Emergency Management Evaluations August 1-3, 2011, at the Department of Energy's (DOE)

  7. School science project 'demystifies' Portsmouth Gaseous Diffusion Plant

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

    Site | Department of Energy School science project 'demystifies' Portsmouth Gaseous Diffusion Plant Site School science project 'demystifies' Portsmouth Gaseous Diffusion Plant Site June 2, 2015 - 10:40am Addthis (Left) An example of a cover of a recent Student Summary of an Annual Site Environmental Report for the Portsmouth Gaseous Diffusion Plant Site. (Right) DOE Portsmouth Site Lead Joel Bradburne recently visited Western High School to recognize the students who participated in the

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

    Office of Environmental Management (EM)

    Energy 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 Database Groundwater Master Report InstallationName, State: Paducah Gaseous Diffusion Plant, KY Responsible DOE Office: Office of Environmental Management Plume Name: GW OU Northwest Plume Remediation Contractor: LATA Environmental Services of Kentucky, LLC PBS Number: PA-0040 Report Last Updated: 2014

  9. Estimating emissions of 20 VOCs. 2: Diffused aeration (Journal Article) |

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Estimating emissions of 20 VOCs. 2: Diffused aeration Citation Details In-Document Search Title: Estimating emissions of 20 VOCs. 2: Diffused aeration A relationship developed in a companion paper to estimate emissions from surface-aerated reactors that accounts for both gas- and liquid-phase mass-transfer resistances is extended to reactors with diffused-aeration systems. The method accurately predicts the observed stripping rate of 20 volatile organic compounds (VOCs) with

  10. DOE Seeks Proposals for Portsmouth Gaseous Diffusion Plant Technical

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

    Services Contract | Department of Energy 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. The draft RFP

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

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

    diffusion behavior of adsorbed gases | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome 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: 10.1039/C2CP41147D abo121 Abstract The self- and collective-diffusion behaviors of adsorbed methane, helium, and isobutane in zeolite frameworks LTA, MFI, AFI, and SAS were examined at various

  12. 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.

  13. Spectral Components Analysis of Diffuse Emission Processes (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect Journal Article: Spectral Components Analysis of Diffuse Emission Processes Citation Details In-Document Search Title: Spectral Components Analysis of Diffuse Emission Processes We develop a novel method to separate the components of a diffuse emission process based on an association with the energy spectra. Most of the existing methods use some information about the spatial distribution of components, e.g., closeness to an external template, independence of

  14. Transport diffusion of liquid water and methanol through membranes (Journal

    Office of Scientific and Technical Information (OSTI)

    Article) | SciTech Connect 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 authors carried out dual-control-volume grand canonical molecular dynamics simulations of the transport diffusion of liquid water and methanol to vacuum under a fixed chemical potential gradient through a slit pore consisting of Au(111) surfaces covered by -CH{sub 3} and -OH terminated

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

    Energy Savers [EERE]

    (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

  16. FUNDING OPPORTUNITY ANNOUNCEMENT: SOLAR ENERGY EVOLUTION AND DIFFUSION

    Energy Savers [EERE]

    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

  17. 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

  18. Paducah Gaseous Diffusion Plant Transition | Department of Energy

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

    Gaseous Diffusion Plant Transition Paducah Gaseous Diffusion Plant Transition GDP Shutdown Paducah site_map-USEC_lease.jpg The Energy Policy Act of 1992 transferred operational responsibility for the site's uranium enrichment operations to the United States Enrichment Corporation (USEC), originally a government corporation that became a publicly held company in 1998. USEC assumed responsibility for enrichment operations at the Paducah Gaseous Diffusion Plant (GDP) and leased property from DOE.

  19. 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 ) Designated Name: Alternate Name: Location: Evaluation Year: Site Operations: Site Disposition: Radioactive Materials Handled: Primary Radioactive Materials Handled: Radiological Survey(s): Site Status: The Portsmouth Gaseous Diffusion Plant (PGDP) is located in south central Ohio, approximately 20 miles north of Portsmouth, Ohio and 70 miles south of Columbus, Ohio.

  20. Solar Energy Evolution and Diffusion Studies | Department of Energy

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

    Evolution and Diffusion Studies Solar Energy Evolution and Diffusion Studies Graphic of a map with pinpoints and a photo of a house with solar panels on the roof. 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 developed and deployed. The projects integrate the use of cutting-edge analytical and computational tools with real-world market data and

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

    Office of Environmental Management (EM)

    Department of Energy DOE Seeks 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

  2. DOE Seeks Quotes for Paducah Gaseous Diffusion Plant Environmental

    Office of Environmental Management (EM)

    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

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

    Office of Environmental Management (EM)

    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

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

    SciTech Connect (OSTI)

    Riuttanen, L. Nykänen, 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.

  5. 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...

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

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

    security; Environment, safety, health and quality (ESH&Q) program; and Training services. ... Addthis Related Articles DOE Seeks Small Businesses for Portsmouth Gaseous Diffusion Plant ...

  7. 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...

  8. X-ray Diffuse Scattering Measurements of Nucleation Dynamics...

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

    X-ray Diffuse Scattering Measurements of Nucleation Dynamics at Femtosecond Resolution Real-time measurement and control of the non-equilibrium properties of materials represents ...

  9. 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, February 27, 2015 Figure 1 Figure 1. Transmission electron microscopy images of (A)...

  10. 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.

  11. 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...

  12. 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 DIFFUSION (Oak Ridge: Clinton, 1944) Events > The Uranium Path to the Bomb, 1942-1944 Y-12: Design, 1942-1943 Y-12: Construction, 1943 Y-12: Operation, 1943-1944 Working K-25 into the Mix, 1943-1944 The Navy and Thermal Diffusion, 1944 As problems with both Y-12 and K-25 reached crisis proportions in spring and summer 1944, the Manhattan Project received help from an unexpected source: the United States

  13. 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...

  14. 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 Green–Kubo 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.

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

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

    called "structural" vapor diffusion retarders. Materials such as rigid foam insulation, reinforced plastics, aluminum, and stainless steel are relatively resistant to...

  16. 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,...

  17. 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 ...

  18. 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...

  19. 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...

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

    Office of Scientific and Technical Information (OSTI)

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

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

    Office of Scientific and Technical Information (OSTI)

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

  2. Optical processing furnace with quartz muffle and diffuser plate

    DOE Patents [OSTI]

    Sopori, Bhushan L. (Denver, CO)

    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.

  3. 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.

  4. 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.

  5. 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 ( ?5 tilt, ?5 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.

  6. 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 mineralization in the presence of relatively modern meteoric fluids having d18O values of ca. 18&, despite petrographic and U Pb isotope data that indicate limited alteration. Our data show that the anomalously low oxygen isotopic composition of the uraninite from the Athabasca Basin can be due to meteoric water overprinting under reducing conditions, and meteoric water or groundwater can significantly affect the oxygen isotopic composition of spent nuclear fuel in a geologic repository, with minimal change to the chemical composition or texture. Moreover, the rather fast oxygen and hydrogen diffusion coefficients for uraninite, especially at low temperatures, suggest that oxygen and hydrogen diffusion may impart characteristic isotopic signals that can be used to track the route of fissile material.

  7. 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.}

  8. 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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)

  17. 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

  18. Mechanics | Department of Energy

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

    Mechanics Mechanics A deeper look at the mechanics and gameplay A deeper look at the mechanics and gameplay Mechanics Breakdown In Brief Players must connect buildings together by allocating resources in a resource chain across the map. They must reach and resolve their Objective within a given number of turns to succeed. To accomplish this, they have the following tools at their disposal: Linking Connect buildings together by allocating resources from buildings that produce them to buildings

  19. 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.

  20. 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.

  1. Internal pipe attachment mechanism

    DOE Patents [OSTI]

    Bast, Richard M. (Livermore, CA); Chesnut, Dwayne A. (Pleasanton, CA); Henning, Carl D. (Livermore, CA); Lennon, Joseph P. (Livermore, CA); Pastrnak, John W. (Livermore, CA); Smith, Joseph A. (Livermore, CA)

    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.

  2. 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.

  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. 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 effects of molecular diffusion and convection to describe the transport of radon in water. The effective diffusion coefficients measured in these experiments are 6.8 x 10{sup -4} {+-} 28% and 3.5 x 10{sup -4} {+-} 34% cm{sup 2} sec{sup -1} for the steady-state and transient diffusion conditions, respectively. Water barriers ranging in thickness from 30-50 cm reduce the amount of radon released from the radium-bearing source material by a factor of 0.3-0.1, respectively.

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

    Office of Scientific and Technical Information (OSTI)

    management (Patent) | SciTech Connect Patent: Low cost fuel cell diffusion layer configured 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 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

  9. 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 298–650 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.

  10. Demolition of K-31 gaseous diffusion building begins

    Broader source: Energy.gov [DOE]

    OREM begins demolition of the K-31 Building at Oak Ridge’s East Tennessee Technology Park (ETTP), marking the removal of the fourth of five gaseous diffusion buildings at the former uranium enrichment site.

  11. 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.

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

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

    No Sulfates Present? No Isotope Name Concentration (pCil) Regulatory Driver Cleanup ... Gaseous Diffusion Plant. CONTAMINANTS: 78 pCiL Tc-99 is the max observed Tc-99 level ...

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

    DOE Patents [OSTI]

    Maskalick, Nicholas J. (Pittsburgh, PA)

    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.

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

    Office of Scientific and Technical Information (OSTI)

    + Show Author Affiliations Los Alamos National Laboratory Los Alamos National Laboratory Mechanical & Aerospace Engineering, Princeton University Mechanical & Aerospace...

  15. 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 Releases Request for Information for 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

  16. Producing microchannels using graduated diffusion bonding of a stack of

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

    precision machined foils or sheets (laminates) to make a micro-channel reactor - Energy Innovation Portal Advanced Materials Advanced Materials Find More Like This Return to Search Producing microchannels using graduated diffusion bonding of a stack 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 Laboratory Contact NETL About This Technology Publications: PDF

  17. 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

  18. Senior DOE Officials Visit Paducah Gaseous Diffusion Plant Site |

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

    Department of Energy 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 lead Jennifer Woodard discusses electrical resistance heating as part of the trichloroethene remediation at the C-400 groundwater contamination source with David Klaus, DOE Deputy Under Secretary for Management and Performance (right). EM Paducah site lead Jennifer Woodard discusses electrical

  19. 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

  20. 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

  1. DOE Awards Contract for Paducah Gaseous Diffusion Plant Infrastructure

    Energy Savers [EERE]

    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

  2. DOE Awards Contract for Portsmouth Gaseous Diffusion Plant Infrastructure

    Energy Savers [EERE]

    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

  3. 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.

  4. Orientation Visit to the Portsmouth Gaseous Diffusion Plant

    Office of Environmental Management (EM)

    HSS Independent Activity Report - Rev. 0 Report Number: HIAR-PORTS-2011-08-03 Site: Portsmouth Gaseous Diffusion Plant Subject: Office of Enforcement and Oversight's Office of Safety and Emergency Management Evaluations Activity Report for the Orientation Visit to the Portsmouth Gaseous Diffusion Plant Dates of Activity : 08/01/2011 - 08/03/2011 Report Preparer: Joseph P. Drago Activity Description/Purpose: The U.S. Department of Energy (DOE) Office of Enforcement and Oversight, within the

  5. Investigating the Validity of the Knudsen Prescription for Diffusivities in

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

    a Mesoporous Covalent Organic Framework | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Validity of the Knudsen Prescription for Diffusivities in a Mesoporous Covalent Organic Framework Previous Next List Rajamani Krishna and Jasper M. van Baten, Ind. Eng. Chem. Res., 2011, 50 (11), pp 7083-7087 DOI: 10.1021/ie200277z Figure Abstract: Molecular dynamics (MD) simulations were performed to determine the self-diffusivity (Di,self) and the Maxwell-Stefan

  6. Diffusion in porous crystalline materials | Center for Gas

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

    SeparationsRelevant to Clean Energy Technologies | Blandine Jerome porous crystalline materials Previous Next List Rajamani Krishna, Chem. Soc. Rev., 2012,41, 3099-3118 DOI: 10.1039/C2CS15284C Graphical abstract: Diffusion in porous crystalline materials Abstract: The design and development of many separation and catalytic process technologies require a proper quantitative description of diffusion of mixtures of guest molecules within porous crystalline materials. This tutorial review

  7. Diffusion Databases for Mg-ICME | Department of Energy

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

    Mg-ICME Diffusion Databases for Mg-ICME 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon lm036_kulkarni_2012_o.pdf More Documents & Publications Diffusion Databases for ICME Vehicle Technologies Office: 2010 Lightweight Materials R&D Annual Progress Report Low-Cost Magnesium Sheet Production using the Twin Roll Casting Process and Asymmetric Rolling

  8. Adsorption and diffusion in zeolites: the pitfall of isotypic crystal

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

    structures | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome 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 & Frerich J. Keil, Molecular Simulations, 37, 986-989 (2011) DOI: 10.1080/08927022.2011.562502 Abstract: The influence of isotypic crystal structures on adsorption and diffusion of methane in all-silica LTA, SAS and ITE

  9. Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids:

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

    | Department of Energy Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids: Spatially Resolved Ionic Diffusion and Electrochemical Reactions in Solids: 2012 DOE Hydrogen and Fuel Cells Program and Vehicle Technologies Program Annual Merit Review and Peer Evaluation Meeting PDF icon es153_balke_2012_p.pdf More Documents & Publications track 3: enhanced geothermal systems (EGS) | geothermal 2015 peer review Overview of Computer-Aided Engineering of Batteries (CAEBAT)

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

    Energy Savers [EERE]

    Energy Southwest Plume Paducah Gaseous Diffusion Plant - GW OU Southwest Plume January 1, 2014 - 12:00pm Addthis US Department of Energy Groundwater Database Groundwater Master Report InstallationName, State: Paducah Gaseous Diffusion Plant, KY Responsible DOE Office: Office of Environmental Management Plume Name: GW OW Southwest Plume Remediation Contractor: LATA Environmental Services of Kentucky, LLC PBS Number: PA-0040 Report Last Updated: 2014 Contaminants Halogenated VOCs/SVOCs

  11. 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 Seeks Small Businesses for 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

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

    Office of Environmental Management (EM)

    2013 | Department of Energy 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 Project Office (PPPO). The objective

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

    Office of Environmental Management (EM)

    2013 | Department of Energy January 2013 Independent Oversight Review, Portsmouth Gaseous Diffusion Plant - January 2013 January 2013 Review of the Portsmouth Gaseous Diffusion Plant Work Planning and Control Activities Prior to Work Execution The Office of Enforcement and Oversight (Independent Oversight), within the Office of Health, Safety and Security (HSS), conducted a shadowing oversight activity of the U.S. Department of Energy (DOE) Portsmouth/Paducah Project Office (PPPO) oversight

  14. DOE Seeks Small Businesses for Paducah Gaseous Diffusion Plant

    Office of Environmental Management (EM)

    Infrastructure Support Services | Department of Energy Seeks 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

  15. 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.

  16. Gas-Phase Diffusion in Porous Media: Comparison of Models Stephen...

    Office of Scientific and Technical Information (OSTI)

    ... diffusion of diffusion (mole fraction gradient) and Knudsen helium and argon across ... DGM are shown in Figure 7. Water vapor flows from the hot (right) end, where ...

  17. Mechanical seal assembly

    DOE Patents [OSTI]

    Kotlyar, Oleg M. (Salt Lake City, UT)

    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.

  18. Mechanical seal assembly

    DOE Patents [OSTI]

    Kotlyar, Oleg M. (Salt Lake City, UT)

    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.

  19. 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

    The Very High Temperature Reactor (VHTR) using gas-cooled reactor technology is anticipated to be the reactor type for the Next Generation Nuclear Plant (NGNP). In this reactor concept 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 a secondary fluid for electricity generation, hydrogen production, and/or industrial process heat applications. At present, there is no proven IHX concept for VHTRs. The current Technology Readiness Level (TRL) status issued by NGNP to all components associated with the IHX for reduced nominal reactor outlet temperatures of 750–800 degrees C is 3 on a 1–10 scale, with 10 indicating omplete technological maturity. Among 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 with Alloy 617, a candidate high-temperature structural material for NGNP applications, are the primary focus of this paper. In the current study, diffusion bonding of Alloy 617 has been demonstrated, although the optimum diffusion bonding process parameters to engineer a quasi interface-free joint are yet to be determined. The PCHE fabrication related processes, i.e., photochemical etching and diffusion bonding are discussed for Alloy 617 plates. In addition, the authors’ experiences with these non-conventional machining and joining techniques are discussed. Two PCHEs are fabricated using Alloy 617 plates and are being experimentally investigated for their thermal-hydraulic performance in a High-Temperature Helium Facility (HTHF). The HTHF is primarily of Alloy 800H construction and is designed to facilitate experiments at temperatures and pressures up to 800 degrees C and 3 MPa, respectively. Furthermore, some preliminary microstructural and 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.

  20. 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

  1. 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...

  2. 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 k–d tree data structure for quickly locating, for a given molecule, its closest reactants. The performance advantage is presented in terms of complexity, and the accuracy of the new algorithm is demonstrated by simulating radiation chemistry in the context of the Geant4-DNA project. Application The time-dependent radiolytic yields of the main chemical species formed after irradiation are computed for incident protons at different energies (from 50 MeV to 500 keV). Both the time-evolution and energy dependency of the yields are discussed. The evolution, at one microsecond, of the yields of hydroxyls and solvated electrons with respect to the linear energy transfer is compared to theoretical and experimental data. According to our results, at high linear energy transfer, modeling radiation chemistry in the trading compartment representation might be adopted.

  3. 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.

  4. 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.

  5. 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

  6. 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

  7. 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.

  8. 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.

  9. Observation of Large Photoacoustic Signal Phase Changes During a Diffusion

    Office of Scientific and Technical Information (OSTI)

    Process (Journal Article) | SciTech Connect Journal Article: Observation of Large Photoacoustic Signal Phase Changes During a Diffusion Process Citation Details In-Document Search Title: Observation of Large Photoacoustic Signal Phase Changes During a Diffusion Process No abstract prepared. Authors: Stanley J. Bajic ; Roger W. Jones ; Jones F. McClelland Publication Date: 2005-09-01 OSTI Identifier: 884839 Report Number(s): IS-J 7054 Journal ID: ISSN 0003-7028; APSPA4; TRN: US200616%%59 DOE

  10. Influence of adsorption on the diffusion selectivity for mixture permeation

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

    across mesoporous membranes | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome Influence of adsorption on the diffusion selectivity for mixture permeation across mesoporous membranes Previous Next List Rajamani Krishna, Jasper M. van Baten, J. Membr. Sci., 369, 545-549 (2011) DOI: 10.1016/j.memsci.2010.12.042 Abstract: Molecular dynamics (MD) simulations were carried out to determine the self-diffusivities, D1,self, and D2,self for a variety of binary

  11. Energy Department Completes K-25 Gaseous Diffusion Building Demolition |

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

    Department of Energy Completes K-25 Gaseous Diffusion Building Demolition Energy Department Completes K-25 Gaseous Diffusion Building Demolition December 19, 2013 - 12:00pm Addthis K-25 Demolition - Oak Ridge 2013 K-25 Demolition - Oak Ridge 2013 Media Contacts Ben Williams, DOE, (865) 574-4912 Wayne McKinney, UCOR, (865) 576-6284 Oak Ridge, Tenn. - Today, the Department of Energy announced that its contractor URS|CH2M Oak Ridge, LLC, or UCOR, has completed demolition of the K-25 gaseous

  12. A molecular dynamics investigation of the diffusion characteristics of

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

    cavity-type zeolites with 8-ring windows | Center for Gas SeparationsRelevant to Clean Energy Technologies | Blandine Jerome diffusion characteristics of cavity-type zeolites with 8-ring windows Previous Next List Rajamani Krishna, Jasper M. van Baten, Microporous Mesoporous Mater., 137, 83-91 (2011) DOI: 10.1016/j.micromeso.2010.08.026 Full-size image (36 K) Abstract: Molecular dynamics (MD) simulations are used to investigate the diffusion characteristics in DDR, CHA, LTA, ITQ-29, and TSC

  13. 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 structure’s 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.

  14. Rotary mechanical latch

    DOE Patents [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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. Energy Department Selects Deactivation Contractor for Paducah Gaseous Diffusion Plant

    Broader source: Energy.gov [DOE]

    LEXINGTON, Ky. – The U.S. Department of Energy (DOE) today awarded a Task Order under the Nationwide Environmental Management ID/IQ Unrestricted Contract to Fluor Federal Services, Inc. for deactivation activities at the Paducah Gaseous Diffusion Plant (GDP) in Paducah, Kentucky, which is currently leased to the United States Enrichment Corporation (USEC).

  2. 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.

  3. 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.

  4. Diffusion Dominant Solute Transport Modelling in Fractured Media Under Deep Geological Environment - 12211

    SciTech Connect (OSTI)

    Kwong, S.; Jivkov, A.P.

    2012-07-01

    Deep geologic disposal of high activity and long-lived radioactive waste is gaining increasing support in many countries, where suitable low permeability geological formation in combination with engineered barriers are used to provide long term waste contaminant and minimise the impacts to the environment and risk to the biosphere. This modelling study examines the solute transport in fractured media under low flow velocities that are relevant to a deep geological environment. In particular, reactive solute transport through fractured media is studied using a 2-D model, that considers advection and diffusion, to explore the coupled effects of kinetic and equilibrium chemical processes. The effects of water velocity in the fracture, matrix porosity and diffusion on solute transport are investigated and discussed. Some illustrative modelled results are presented to demonstrate the use of the model to examine the effects of media degradation on solute transport, under the influences of hydrogeological (diffusion dominant) and microbially mediated chemical processes. The challenges facing the prediction of long term degradation such as cracks evolution, interaction and coalescence are highlighted. The potential of a novel microstructure informed modelling approach to account for these effects is discussed, particularly with respect to investigating multiple phenomena impact on material performance. The GRM code is used to examine the effects of media degradation for a geological waste disposal package, under the combined hydrogeological (diffusion dominant) and chemical effects in low groundwater flow conditions that are typical of deep geological disposal systems. An illustrative reactive transport modelling application demonstrates the use of the code to examine the interplay of kinetic controlled biogeochemical reactive processes with advective and diffusive transport, under the influence of media degradation. The initial model results are encouraging which show the 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)

  5. 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.

  6. 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.

  7. 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.

  8. 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 Å and NUV: 2316 Å) 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.

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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.

  14. 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...

  15. Simulation of atomic diffusion in the Fcc NiAl system: A kinetic...

    Office of Scientific and Technical Information (OSTI)

    Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study Citation Details In-Document Search Title: Simulation of atomic diffusion in the Fcc NiAl system: ...

  16. 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...

  17. 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.

  18. 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

  19. Devising Efficient HDG Methods for Diffusion Problems | Argonne Leadership

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

    Computing Facility Devising Efficient HDG Methods for Diffusion Problems Event Sponsor: Mathematics and Computing Science Seminar Start Date: Jan 22 2016 - 10:30am Building/Room: Building 240/Room 1404-1405 Location: Argonne National Laboratory Speaker(s): Guosheng Fu Speaker(s) Title: University of Minnesota Host: Sven Leyffer We present an HDG formulation for a model Possion's equation on a polygonal/polyhedral mesh. We then discuss two approaches to devise HDG methods with optimal

  20. 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

  1. 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

  2. Method of making gas diffusion layers for electrochemical cells

    DOE Patents [OSTI]

    Frisk, Joseph William (Oakdale, MN); Boand, Wayne Meredith (Lino Lakes, MN); Larson, James Michael (Saint Paul, MN)

    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.

  3. 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.

  4. 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.

  5. Novel type of chimera spiral waves arising from decoupling of a diffusible

    Office of Scientific and Technical Information (OSTI)

    component (Journal Article) | SciTech Connect Novel type of chimera spiral waves arising from decoupling of a diffusible component Citation Details In-Document Search Title: Novel type of chimera spiral waves arising from decoupling of a diffusible component Spiral waves composed of coherent traveling waves surrounding a core containing stochastically distributed stationary areas are found in numerical simulations of a three-variable reaction-diffusion system with one diffusible species. In

  6. Diffusion Multilayer Sampling of Ground Water in Five Wells at the Tuba

    Office of Environmental Management (EM)

    City, Arizona, Site | Department of Energy Diffusion Multilayer Sampling of Ground Water in Five Wells at the Tuba City, Arizona, Site Diffusion Multilayer Sampling of Ground Water in Five Wells at the Tuba City, Arizona, Site Diffusion Multilayer Sampling of Ground Water in Five Wells at the Tuba City, Arizona, Site PDF icon Diffusion Multilayer Sampling of Ground Water in Five Wells at the Tuba City, Arizona, Site More Documents & Publications Analysis of MSE Cores Tuba City, Arizona,

  7. 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.

  8. 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.

  9. 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 galactic center, we expect them to contribute significantly to the γ-ray diffuse emission at low latitudes. Because, along the galactic disk, the population of young pulsars overcomes in number that of MSPs, we compute the γ-ray emission from the whole population of unresolved pulsars, both young and millisecond, in two low-latitude regions: the inner Galaxy and the galactic center.

  10. Sierra Mechanics suite

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

    Mechanics suite - 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 Fuel Cycle Defense Waste Management Programs Advanced Nuclear

  11. 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)

  12. 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.

  13. 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.

  14. 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 irradiation performance of monolithic U-10Mo nuclear fuel. There are several issues or concerns that warrant more detailed study, such as precipitation along cladding-to-cladding bond line, chemical banding, uncovered fuel-zone edge, and interaction layer between U–Mo fuel meat and zirconium. Future post-irradiation examination results will focus, among other things, on identifying in-reactor failure mechanisms and, eventually, directing further fresh fuel characterization efforts.

  15. 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 can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. Moreover, a straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N2 is presented and is estimated to have a 2-sigma error bar of only 0.7%.« less

  16. 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.

  17. 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.

  18. Mechanical Systems Qualification Standard

    Office of Environmental Management (EM)

    61-2008 June 2008 DOE STANDARD MECHANICAL SYSTEMS QUALIFICATION STANDARD DOE Defense Nuclear Facilities Technical Personnel U.S. Department of Energy AREA TRNG Washington, D.C. 20585 DISTRIBUTION STATEMENT A. Approved for public release; distribution is unlimited. DOE-STD-1161-2008 ii This document is available on the Department of Energy Technical Standards Program Web Site at http://www.hss.energy.gov/nuclearsafety/techstds/ DOE-STD-1161-2008 iv INTENTIONALLY BLANK DOE-STD-1161-2008 v TABLE OF

  19. 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.

  20. 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.

  1. 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}.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. Uranium and Strontium Batch Sorption and Diffusion Kinetics into Mesoporous

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

    Silica | Stanford Synchrotron Radiation Lightsource Uranium and Strontium Batch Sorption and Diffusion Kinetics into Mesoporous Silica Friday, February 27, 2015 Figure 1 Figure 1. Transmission electron microscopy images of (A) washed, unreacted mesoporous silica (insert: cross section of a particle exhibiting the regular channel array structure), and mesoporous silica reacted with (B) 10 µM Sr, (C) 10 µM U at pH 4.0 with no carbonate and no calcium present, and (D) 10 µM U at pH 9.8 with

  9. 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.

  10. Gas turbine engine with radial diffuser and shortened mid section

    DOE Patents [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.

  11. 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.; Mourão, 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.

  12. 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.

  13. 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.

  14. PEBBLES Mechanics Simulation Speedup

    SciTech Connect (OSTI)

    Joshua J. Cogliati; Abderrafi M. Ougouag

    2010-05-01

    Pebble bed reactors contain large numbers of spherical fuel elements arranged randomly. Determining the motion and location of these fuel elements is required for calculating certain parameters of pebble bed reactor operation. These simulations involve hundreds of thousands of pebbles and involve determining the entire core motion as pebbles are recirculated. Single processor algorithms for this are insufficient since they would take decades to centuries of wall-clock time. This paper describes the process of parallelizing and speeding up the PEBBLES pebble mechanics simulation code. Both shared memory programming with the Open Multi-Processing API and distributed memory programming with the Message Passing Interface API are used in simultaneously in this process. A new shared memory lock-less linear time collision detection algorithm is described. This method allows faster detection of pebbles in contact than generic methods. These combine to make full recirculations on AVR sized reactors possible in months of wall clock time.

  15. 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.

  16. Mechanically expandable annular seal

    DOE Patents [OSTI]

    Gilmore, R.F.

    1983-07-19

    A mechanically expandable annular reusable seal assembly to form an annular hermetic barrier between two stationary, parallel, and planar containment surfaces is described. 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 fluid tight barrier. A counter rotation removes the barrier. 6 figs.

  17. Mechanically expandable annular seal

    DOE Patents [OSTI]

    Gilmore, Richard F. (Kennewick, WA)

    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.

  18. Rotary drive mechanism

    DOE Patents [OSTI]

    Kenderdine, Eugene W. (Albuquerque, NM)

    1991-01-01

    A rotary drive mechanism 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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 microscopy–energy 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.

  4. 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

  5. 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.

  6. 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.

  7. 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.

  8. Fluid Dynamics and Solid Mechanics

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

    and Solid Mechanics Basic and applied research in theoretical continuum dynamics, modern hydrodynamic theory, materials modeling, global climate modeling, numerical...

  9. 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.

  10. 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.

  11. 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

    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.

  12. 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.

  13. 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

    One of the methods being considered for safely disposing of Category 3 low-level radioactive wastes is to encase the waste in concrete. Such concrete encasement would contain and isolate the waste packages from the hydrologic environment and would act as an intrusion barrier. The current plan for waste isolation consists of stacking low-level waste packages on a trench floor, surrounding the stacks with reinforced steel, and encasing these packages in concrete. These concrete-encased waste stacks are expected to vary in size with maximum dimensions of 6.4 m long, 2.7 m wide, and 4 m high. The waste stacks are expected to have a surrounding minimum thickness of 15 cm of concrete encasement. These concrete-encased waste packages are expected to withstand environmental exposure (solar radiation, temperature variations, and precipitation) until an interim soil cover or permanent closure cover is installed, and to remain largely intact thereafter. Any failure of concrete encasement may result in water intrusion and consequent mobilization of radionuclides from the waste packages. The mobilized radionuclides may escape from the encased concrete by mass flow and/or diffusion and move into the surrounding subsurface environment. Therefore, it is necessary to assess the performance of the concrete encasement structure and the ability of the surrounding soil to retard radionuclide migration. The retardation factors for radionuclides contained in the waste packages can be determined from measurements of diffusion coefficients for these contaminants through concrete and fill material. Some of the mobilization scenarios include (1) potential leaching of waste form before permanent closure cover is installed; (2) after the cover installation, long-term diffusion of radionuclides from concrete waste form into surrounding fill material; (3) diffusion of radionuclides from contaminated soils into adjoining concrete encasement and clean fill material. Additionally, the rate of 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 structural and chemical changes to concrete waste forms which may affect contaminant containm

  14. Formation mechanism and properties of CdS-Ag2S nanorod superlattices

    SciTech Connect (OSTI)

    Wang, Lin-Wang; Demchenko, Denis O.; Robinson, Richard D.; Sadtler, Bryce; Erdonmez, Can K.; Alivisatos, A. Paul; Wang, Lin-Wang

    2008-08-11

    The mechanism of formation of recently fabricated CdS-Ag{sub 2}S nanorod superlattices is considered and their elastic properties are predicted theoretically based on experimental structural data. We consider different possible mechanisms for the spontaneous ordering observed in these 1D nanostructures, such as diffusion-limited growth and ordering due to epitaxial strain. A simplified model suggests that diffusion-limited growth partially contributes to the observed ordering, but cannot account for the full extent of the ordering alone. The elastic properties of bulk Ag{sub 2}S are predicted using a first principles method and are fed into a classical valence force field (VFF) model of the nanostructure. The VFF results show significant repulsion between Ag{sub 2}S segments, strongly suggesting that the interplay between the chemical interface energy and strain due to the lattice mismatch between the two materials drives the spontaneous pattern formation.

  15. What can be learned from optical two-color diffusion and thermodiffusion

    Office of Scientific and Technical Information (OSTI)

    experiments on ternary fluid mixtures? (Journal Article) | SciTech Connect What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures? Citation Details In-Document Search Title: What can be learned from optical two-color diffusion and thermodiffusion experiments on ternary fluid mixtures? A number of optical techniques have been developed during the recent years for the investigation of diffusion and thermodiffusion in ternary fluid

  16. 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.

  17. 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

  18. 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

  19. 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

  20. 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

  1. 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.

  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. 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.

  4. 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.

  5. 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.

  6. 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.

  7. 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 data and, with further studies, a high potential for translatability to real tissues with arbitrary boundaries. A requisite correction was also found for measurements in the fashion of scDCT to recover accurate speckle contrast of deep tissues.

  8. Voluntary Protection Program Onsite Review, Infrastructure Support Contract Paducah Gaseous Diffusion Plant- May 2013

    Office of Energy Efficiency and Renewable Energy (EERE)

    Evaluation to determine whether Infrastructure Support Contract Paducah Gaseous Diffusion Plant is continuing to perform at a level deserving DOE-VPP Star recognition.

  9. 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.

  10. 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.

  11. 31P-Edited Diffusion-Ordered 1H NMR Spectroscopy for the Isolation...

    Office of Scientific and Technical Information (OSTI)

    31P-Edited Diffusion-Ordered 1H NMR Spectroscopy for the Isolation and Identification of Organophosphorus Compounds Related to Chemical Weapons Agents and their Degradation...

  12. CASL-U-2015-0171-000 Improved Diffusion Coefficients for SPN...

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

    Transport Solvers in MPACT * Nodal Expansion Method (NEM) - Two-node kernel - Based on 1D-Diffusion Eq.: - Quartic flux expansion: - Quadratic source expansion: H. Finnemann, F....

  13. 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.

  14. Realization of highly crystallographic three-dimensional nanosheets by a stress-induced oriented-diffusion method

    SciTech Connect (OSTI)

    Gharooni, M.; Hosseini, M.; Mohajerzadeh, S., E-mail: mohajer@ut.ac.ir; Taghinejad, M.; Taghinejad, H. [Thin Film and Nanoelectronics Lab, Nanoelectronics Center of Excellence, School of Electrical and Computer Engineering, University of Tehran, Tehran 143957131 (Iran, Islamic Republic of); Abdi, Y. [Nano-Physics Research Lab, Department of Physics, University of Tehran, Tehran 1439955961 (Iran, Islamic Republic of)

    2014-07-28

    Morphologically controlled nanostructures have been increasingly important because of their strongly shape dependent physical and chemical properties. Formation of nanoscale silicon based structures that employ high levels of strain, intentional, and unintentional twins or grain boundaries can be dramatically different from the commonly conceived bulk processes. We report, realization of highly crystallographic 3D nanosheets with unique morphology and ultra-thin thickness by a stress-induced oriented-diffusion method, based on plasma processing of metal layer deposited on Si substrate and its post deep reactive ion etching. Annealing in plasma ambient creates rod-like metal alloy precursors which induce stress at its interface with Si substrate due to the mismatch of lattice constants. This stress opens facilitated gateways for orientated-diffusion of metal atoms in ?110? directions and leads to formation of NSs (nanosheets) with [111] crystalline essence. Nanosheets are mainly triangular, hexagonal, or pseudo hexagonal in shape and their thicknesses are well controlled from several to tens of nanometers. The structural and morphological evolution of features were investigated in detail using transmission electron microscope, atomic force microscope, scanning electron microscope and possible mechanism is proposed to explain the formation of the thermodynamically unfavorable morphology of nanosheets. Significant photoemission capability of NSs was also demonstrated by photoluminescence spectroscopy.

  15. Leaching mechanisms of solidified low-level waste. The literature survey

    SciTech Connect (OSTI)

    Dougherty, D.; Colombo, P.

    1985-06-01

    A literature survey on leaching mechanisms, available mathematical models and factors that affect leaching from solidified low-level radioactive waste (LLW) was compiled. Physicochemical mechanisms identified include diffusion, dissolution, ion exchange, corrosion and surface effects. Diffusion was generally considered to be the predominant mechanism in LLW leachability. However, this hierarchy of importance has been strongly questioned for waste forms containing soluble salts and has been shown to be invalid for waste forms incorporating sorbents which control the release of radionuclides by ion exchange. Leaching behavior was modeled both mathematically for curve fitting to leaching data and by consideration of physical and chemical interactions within and between solidification agents, waste materials and additives, if any. Physicochemical analyses of bitumen and polymer solidification agents have considered them to be inert encapsulants with limited water permeability. All of the mathematical models are derived from solutions to the diffusion equation. Other mechanistic processes are included as additional terms in the equation. No comprehensive evaluations of mathematical models for LLW based on curve fitting to data were found in the literature. Factors that affect leaching have been categorized as system factors, leachant factors and waste form factors. System factors include temperature, pressure, radiation, time and the ratio of waste form area to leachant volume. Leachant factors include pH, Eh, flow or replacement frequency and composition while waste form factors include composition, surface condition, porosity and surface area to volume ratio. Information from the literature is reported for each of these factors. 75 refs., 2 figs., 4 tabs.

  16. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended...

  17. INL '@work' heavy equipment mechanic

    SciTech Connect (OSTI)

    Christensen, Cad

    2008-01-01

    INL's Cad Christensen is a heavy equipment mechanic. For more information about INL careers, visit http://www.facebook.com/idahonationallaboratory.

  18. Mechanical Behavior of Indium Nanostructures

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

    12.3.2 to investigate the small-scale mechanics of indium nanostructures. Scanning x-ray microdiffraction (SXRD) studies revealed that the indium microstructure is typical...

  19. Unique Auxin Regulation Mechanism Discovered

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

    Unique Auxin Regulation Mechanism Discovered Print The plant hormone auxin regulates many plant growth and development processes, including shoot growth, root branching, fruit...

  20. Unique Auxin Regulation Mechanism Discovered

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

    Auxin Regulation Mechanism Discovered Print Wednesday, 29 August 2007 00:00 The plant hormone auxin regulates many plant growth and development processes, including shoot growth,...

  1. INL '@work' heavy equipment mechanic

    ScienceCinema (OSTI)

    Christensen, Cad

    2013-05-28

    INL's Cad Christensen is a heavy equipment mechanic. For more information about INL careers, visit http://www.facebook.com/idahonationallaboratory.

  2. Diffusion Welding of Alloys for Molten Salt Service - Status Report

    SciTech Connect (OSTI)

    Denis Clark; Ronald Mizia; Piyush Sabharwall

    2012-09-01

    The present work is concerned with heat exchanger development for molten salt service, including the proposed molten salt reactor (MSR), a homogeneous reactor in which the fuel is dissolved in a circulating fluid of molten salt. It is an outgrowth of recent work done under the Next Generation Nuclear Plant (NGNP) program; what the two reactor systems have in common is an inherently safe nuclear plant with a high outlet temperature that is useful for process heat as well as more conventional generation The NGNP program was tasked with investigating the application of a new generation of nuclear power plants to a variety of energy needs. One baseline reactor design for this program is a high temperature, gas-cooled reactor (HTGR), which provides many options for energy use. These might include the conventional Rankine cycle (steam turbine) generation of electricity, but also other methods: for example, Brayton cycle (gas turbine) electrical generation, and the direct use of the high temperatures characteristic of HTGR output for process heat in the chemical industry. Such process heat is currently generated by burning fossil fuels, and is a major contributor to the carbon footprint of the chemical and petrochemical industries. The HTGR, based on graphite fuel elements, can produce very high output temperatures; ideally, temperatures of 900 °C or even greater, which has significant energy advantages. Such temperatures are, of course, at the frontiers of materials limitations, at the upper end of the performance envelope of the metallic materials for which robust construction codes exist, and within the realm of ceramic materials, the fabrication and joining of which, on the scale of large energy systems, are at an earlier stage of development. A considerable amount of work was done in the diffusion welding of materials of interest for HTGR service with alloys such as 617 and 800H. The MSR output temperature is also materials limited, and is projected at about 700 °C. (RR E) A different set of alloys, such as Alloy N and 242, are needed to handle molten salts at this temperature. The diffusion welding development work described here builds on techniques developed during the NGNP work, as applied to these alloys. There is also the matter of dissimilar metal welding, since alloys suitable for salt service are generally not suited for service in gaseous oxidizing environments, and vice versa, and welding is required for the Class I boundaries in these systems, as identified in the relevant ASME codes.

  3. Diffusion Welding of Alloys for Molten Salt Service - Status Report

    SciTech Connect (OSTI)

    Denis Clark; Ronald Mizia

    2012-05-01

    The present work is concerned with heat exchanger development for molten salt service, including the proposed molten salt reactor (MSR), a homogeneous reactor in which the fuel is dissolved in a circulating fluid of molten salt. It is an outgrowth of recent work done under the Next Generation Nuclear Plant (NGNP) program; what the two reactor systems have in common is an inherently safe nuclear plant with a high outlet temperature that is useful for process heat as well as more conventional generation The NGNP program was tasked with investigating the application of a new generation of nuclear power plants to a variety of energy needs. One baseline reactor design for this program is a high temperature, gas-cooled reactor (HTGR), which provides many options for energy use. These might include the conventional Rankine cycle (steam turbine) generation of electricity, but also other methods: for example, Brayton cycle (gas turbine) electrical generation, and the direct use of the high temperatures characteristic of HTGR output for process heat in the chemical industry. Such process heat is currently generated by burning fossil fuels, and is a major contributor to the carbon footprint of the chemical and petrochemical industries. The HTGR, based on graphite fuel elements, can produce very high output temperatures; ideally, temperatures of 900 C or even greater, which has significant energy advantages. Such temperatures are, of course, at the frontiers of materials limitations, at the upper end of the performance envelope of the metallic materials for which robust construction codes exist, and within the realm of ceramic materials, the fabrication and joining of which, on the scale of large energy systems, are at an earlier stage of development. A considerable amount of work was done in the diffusion welding of materials of interest for HTGR service with alloys such as 617 and 800H. The MSR output temperature is also materials limited, and is projected at about 700 C. (RR E) A different set of alloys, such as Alloy N and 242, are needed to handle molten salts at this temperature. The diffusion welding development work described here builds on techniques developed during the NGNP work, as applied to these alloys. There is also the matter of dissimilar metal welding, since alloys suitable for salt service are generally not suited for service in gaseous oxidizing environments, and vice versa, and welding is required for the Class I boundaries in these systems, as identified in the relevant ASME codes.

  4. On the Stochastic Maximum Principle in Optimal Control of Degenerate Diffusions with Lipschitz Coefficients

    SciTech Connect (OSTI)

    Bahlali, Khaled Djehiche, Boualem Mezerdi, Brahim

    2007-12-15

    We establish a stochastic maximum principle in optimal control of a general class of degenerate diffusion processes with global Lipschitz coefficients, generalizing the existing results on stochastic control of diffusion processes. We use distributional derivatives of the coefficients and the Bouleau Hirsh flow property, in order to define the adjoint process on an extension of the initial probability space.

  5. Diffusion of methane and other alkanes in metal-organic frameworks for natural gas storage

    SciTech Connect (OSTI)

    Borah, B; Zhang, HD; Snurr, RQ

    2015-03-03

    Diffusion of methane, ethane, propane and n-butane was studied within the micropores of several metal organic frameworks (MOFs) of varying topologies, including the MOFs PCN-14, NU-125, NU-1100 and DUT-49. Diffusion coefficients of the pure components, as well as methane/ethane, methane/ propane and methane/butane binary mixtures, were calculated using molecular dynamics simulations to understand the effect of the longer alkanes on uptake of natural gas in MOB. The calculated self diffusion coefficients of all four components are on the order of 10(-8) m(2)/s. The diffusion coefficients of the pure components decrease as a function of chain length in all of the MOFs studied and show different behaviour as a function of loading in different MOB. The self-diffusivities follow the trend DPCN-14 < DNU-125 approximate to DNU-1100 < DDUT-49, which is exactly the reverse order of the densities of the MOFs: PCN-14 > NU-125 approximate to NU-1100 > DUT-49. By comparing the diffusion of pure methane and methane mixtures vvith the higher alkancs, it is observed that the diffusivity of methane is unaffected by the presence of the higher alkanes in the MOFs considered, indicating that the diffusion path of methane is not blocked by the higher alkanes present in natural gas. (C) 2014 Elsevier Ltd. All rights reserved.

  6. A computational study of diffusion in a glass-forming metallic liquid

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

    Wang, T.; Zhang, F.; Yang, L.; Fang, X. W.; Zhou, S. H.; Kramer, M. J.; Wang, C. Z.; Ho, K. M.; Napolitano, R. E.

    2015-06-09

    In this study, liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In our computational study, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a generalmore » formulation for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. Furthermore, the composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.« less

  7. A computational study of diffusion in a glass-forming metallic liquid

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

    Wang, T.; Zhang, F.; Yang, L.; Fang, X. W.; Zhou, S. H.; Kramer, M. J.; Wang, C. Z.; Ho, K. M.; Napolitano, R. E.

    2015-06-09

    Liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In the computational study reported here, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a general formulationmore »for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. The composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.« less

  8. A computational study of diffusion in a glass-forming metallic liquid

    SciTech Connect (OSTI)

    Wang, T.; Zhang, F.; Yang, L.; Fang, X. W.; Zhou, S. H.; Kramer, M. J.; Wang, C. Z.; Ho, K. M.; Napolitano, R. E.

    2015-06-09

    In this study, liquid phase diffusion plays a critical role in phase transformations (e.g. glass transformation and devitrification) observed in marginal glass forming systems such as Al-Sm. Controlling transformation pathways in such cases requires a comprehensive description of diffusivity, including the associated composition and temperature dependencies. In our computational study, we examine atomic diffusion in Al-Sm liquids using ab initio molecular dynamics (AIMD) and determine the diffusivities of Al and Sm for selected alloy compositions. Non-Arrhenius diffusion behavior is observed in the undercooled liquids with an enhanced local structural ordering. Through assessment of our AIMD result, we construct a general formulation for Al-Sm liquid, involving a diffusion mobility database that includes composition and temperature dependence. A Volmer-Fulcher-Tammann (VFT) equation is adopted for describing the non-Arrhenius behavior observed in the undercooled liquid. Furthermore, the composition dependence of diffusivity is found quite strong, even for the Al-rich region contrary to the sole previous report on this binary system. The model is used in combination with the available thermodynamic database to predict specific diffusivities and compares well with reported experimental data for 0.6 at.% and 5.6 at.% Sm in Al-Sm alloys.

  9. Detachment of Liquid-Water Droplets from Gas-Diffusion Layers

    SciTech Connect (OSTI)

    Das, Prodip K.; Grippin, Adam; Weber, Adam Z.

    2011-07-01

    A critical issue for optimal water management in proton-exchange-membrane fuel cells at lower temperatures is the removal of liquid water from the cell. This pathway is intimately linked with the phenomena of liquid-water droplet removal from surface of the gas-diffusion layer and into the flow channel. Thus, a good understanding of liquid-water transport and droplet growth and detachment from the gas-diffusion layer is critical. In this study, liquid-water droplet growth and detachment on the gas-diffusion layer surfaces are investigated experimentally to improve the understating of water transport through and removal from gas-diffusion layers. An experiment using a sliding-angle measurement is designed and used to quantify and directly measure the adhesion force for liquid-water droplets, and to understand the droplets? growth and detachment from the gas-diffusion layers.

  10. Interdiffusion Behavior of Pt-Diffused gamma+gamma' Coatings on Ni-Based Superalloys

    SciTech Connect (OSTI)

    Zhang, Ying; Stacy, J P; Pint, Bruce A; Haynes, James A; Hazel, Brian T; Nagaraj, Ben

    2008-01-01

    Platinum-diffused {gamma} + {gamma}{prime} coatings ({approx} 20 at.% Al, {approx} 22 at.% Pt) were synthesized on Rene 142 and Rene N5 Ni-based superalloys by electroplating the substrates with {approx} 7 {micro}m of Pt, followed by an annealing treatment in vacuum at 1175 C. In order to study the compositional and microstructural evolution of these coatings at elevated temperatures, interdiffusion experiments were carried out on coated specimens in the temperature range of 900-1050 C for various durations. Composition profiles of the alloying elements in the {gamma} + {gamma}{prime} coatings before and after diffusion experiments were determined by electron probe microanalysis. Although the change of the Al content in the coatings was minimal under these interdiffusion conditions, the decrease of the Pt content and increase of the diffusion depth of Pt into the substrate alloys were significant. A preliminary diffusion model was used to estimate the Pt penetration depth after diffusion.

  11. Self-Diffusion of Small Clusters on fcc Metal (111) Surfaces

    SciTech Connect (OSTI)

    Chang, C. M. [National Center for High-Performance Computing, Hsinchu, Taiwan 30043, Republic of China (China)] [National Center for High-Performance Computing, Hsinchu, Taiwan 30043, Republic of China (China); Wei, C. M. [Institute of Physics, Academia Sinica, Nankang, Taipei, Taiwan 11529, Republic of China (China)] [Institute of Physics, Academia Sinica, Nankang, Taipei, Taiwan 11529, Republic of China (China); Chen, S. P. [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)] [Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

    2000-07-31

    We use ab initio density-functional theory supplemented with the embedded-atom method to study the self-diffusion of small clusters on the (111) surface of eight fcc metals. A zigzag motion is found to be important in the dimer and tetramer diffusions. The dimer diffuses by a zigzag and concerted motion. The trimer diffuses by a concerted three-atom motion. The tetramer diffuses through a zigzag motion where only two atoms move simultaneously in each step. Thus, instead of increasing, the migration energy is lowered (or stays constant) for the tetramer as compared to that for the trimer. This novel break of the upwards trend in migration energy is predicted to be a general phenomenon. (c) 2000 The American Physical Society.

  12. Numerical analysis of the influence of scale effects and microstructure on hydrogen diffusion in polycrystalline aggregates

    SciTech Connect (OSTI)

    Legrand, Esaie; Bouhattate, Jamaa; Feaugas, Xavier; Touzain, S.; Garmestani, Hamid; Khaleel, Mohammad A.; Li, Dongsheng

    2013-04-01

    Predicting resistance to environmental degradation, especially hydrogen embrittlement (HE) has become a major concern for life assessment and risk analysis of structural materials. The microstructure of the materials plays a significant role in HE. Despite the large documentation about the subject, the contribution of hydrogen diffusion on this process stays unclear. In this work, we analyze the effects of the microstructure on hydrogen diffusion, especially the influence of grain boundaries considered as high diffusivity paths and possible sites of damage occurrence. Electrochemical permeation was simulated using finite elements method (FEM). Scale effects between the RVE (Representative Volume Element) and the size of the membrane are discussed. Domains of applicability for standard homogenization methods, especially Hashin Shtrikman model are studied using results from microstructural based FEM. Domains of invariance of diffusion behavior and concentration profiles for grain shapes and the size of the membrane are also analyzed. Thus, the difficulty to extract diffusion properties by permeation test for heterogeneous microstructures is highlighted and discussed.

  13. Injection of ?-like suprathermal particles into diffusive shock acceleration

    SciTech Connect (OSTI)

    Kang, Hyesung; Petrosian, Vahé; Ryu, Dongsu; Jones, T. W. E-mail: vahe@stanford.edu E-mail: twj@msi.umn.edu

    2014-06-20

    We consider a phenomenological model for the thermal leakage injection in the diffusive shock acceleration (DSA) process, in which suprathermal protons and electrons near the shock transition zone are assumed to have the so-called ?-distributions produced by interactions of background thermal particles with pre-existing and/or self-excited plasma/MHD waves or turbulence. The ?-distribution has a power-law tail, instead of an exponential cutoff, well above the thermal peak momentum. So there are a larger number of potential seed particles with momentum, above that required for participation in the DSA process. As a result, the injection fraction for the ?-distribution depends on the shock Mach number much less severely compared to that for the Maxwellian distribution. Thus, the existence of ?-like suprathermal tails at shocks would ease the problem of extremely low injection fractions, especially for electrons and especially at weak shocks such as those found in the intracluster medium. We suggest that the injection fraction for protons ranges 10{sup –4}-10{sup –3} for a ?-distribution with 10 ? ? {sub p} ? 30 at quasi-parallel shocks, while the injection fraction for electrons becomes 10{sup –6}-10{sup –5} for a ?-distribution with ? {sub e} ? 2 at quasi-perpendicular shocks. For such ? values the ratio of cosmic ray (CR) electrons to protons naturally becomes K {sub e/p} ? 10{sup –3}-10{sup –2}, which is required to explain the observed ratio for Galactic CRs.

  14. DIFFUSE PeV NEUTRINOS FROM GAMMA-RAY BURSTS

    SciTech Connect (OSTI)

    Liu, Ruo-Yu; Wang, Xiang-Yu [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China)] [School of Astronomy and Space Science, Nanjing University, Nanjing 210093 (China)

    2013-04-01

    The IceCube Collaboration recently reported the potential detection of two cascade neutrino events in the energy range 1-10 PeV. We study the possibility that these PeV neutrinos are produced by gamma-ray bursts (GRBs), paying special attention to the contribution by untriggered GRBs that elude detection due to their low photon flux. Based on the luminosity function, rate distribution with redshift and spectral properties of GRBs, we generate, using a Monte Carlo simulation, a GRB sample that reproduces the observed fluence distribution of Fermi/GBM GRBs and an accompanying sample of untriggered GRBs simultaneously. The neutrino flux of every individual GRB is calculated in the standard internal shock scenario, so that the accumulative flux of the whole samples can be obtained. We find that the neutrino flux in PeV energies produced by untriggered GRBs is about two times higher than that produced by the triggered ones. Considering the existing IceCube limit on the neutrino flux of triggered GRBs, we find that the total flux of triggered and untriggered GRBs can reach at most a level of {approx}10{sup -9} GeV cm{sup -2} s{sup -1} sr{sup -1}, which is insufficient to account for the reported two PeV neutrinos. Possible contributions to diffuse neutrinos by low-luminosity GRBs and the earliest population of GRBs are also discussed.

  15. Portsmouth Gaseous Diffusion Plant environmental report for 1989

    SciTech Connect (OSTI)

    Turner, J.W. )

    1990-10-01

    This calendar year 1989 annual report on environmental surveillance of the US Department of Energy's (DOE) 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 the following: report 1989 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 (where appropriate) to indicate increases and decreases in environmental impact, and provide general information on plant quality assurance. Routine monitoring and sampling for radiation, radioactive materials, and chemical substances on and off the DOE site are used to document compliance with appropriate standards, to identify trends, to provide information for the public, and to contribute to general environmental knowledge. The surveillance program assists in fulfilling the DOE policy of protecting the public, employees, and environment from harm that could be caused by its activities and reducing negative environmental impacts to the greatest degree practicable. Environmental-monitoring information complements data on specific releases, trends, and summaries. 26 refs.

  16. Innovative Decontamination Technology for Use in Gaseous Diffusion Plant Decommissioning

    SciTech Connect (OSTI)

    Peters, M.J.; Norton, C.J.; Fraikor, G.B.; Potter, G.L.; Chang, K.C.

    2006-07-01

    The results of bench scale tests demonstrated that TechXtract{sup R} RadPro{sup TM} technology (hereinafter referred to as RadPro{sup R}) can provide 100% coverage of complex mockup gaseous diffusion plant (GDP) equipment and can decontaminate uranium (U) deposits with 98% to 99.99% efficiency. Deployment tests demonstrated RadPro{sup R} can be applied as foam, mist/fog, or steam, and fully cover the internal surfaces of complex mockup equipment, including large piping. Decontamination tests demonstrated that two formulations of RadPro{sup R}, one with neutron attenuators and one without neutron attenuators, could remove up to 99.99% of uranyl fluoride deposits, one of the most difficult to remove deposits in GDP equipment. These results were supplemented by results from previous tests conducted in 1994 that showed RadPro{sup R} could remove >97% of U and Tc-99 contamination from actual GDP components. Operational use of RadPro{sup R} at other DOE and commercial facilities also support these data. (authors)

  17. Bioavailability study for the Paducah Gaseous Diffusion Plant

    SciTech Connect (OSTI)

    Phipps, T.L.; Kszos, L.A.

    1996-08-01

    The overall purpose of this plan is to assess the bioavailability of metals in the continuous and intermittent outfalls. The results may be used to determine alternative metal limits that more appropriately measure the portion of metal present necessary for toxicity to aquatic life. These limits must remain protective of in-stream aquatic life; thus, the highest concentration of metal in the water will be determined concurrently with an assessment of acute or chronic toxicity on laboratory tests. Using the method developed by the Kentucky Division of Water (KDOW), biomonitoring results and chemical data will be used to recommend alternative metal limits for the outfalls of concern. The data will be used to meet the objectives of the study: (1) evaluate the toxicity of continuous outfalls and intermittent outfalls at Paducah Gaseous Diffusion Plant; (2) determine the mean ratio of dissolved to Total Recoverable metal for Cd, Cr, Cu, Pb, Ni, and Zn in the continuous and intermittent outfalls; (3) determine whether the concentration of total recoverable metal discharged causes toxicity to fathead minnows and /or Ceriodaphnia; and (4) determine alternative metal limits for each metal of concern (Cd, Cr, Cu, Pb, Ni, and Zn).

  18. Paducah Gaseous Diffusion Plant Northwest Plume interceptor system evaluation

    SciTech Connect (OSTI)

    Laase, A.D.; Clausen, J.L.

    1998-07-01

    The Paducah Gaseous Diffusion Plant (PGDP) recently installed an interceptor system consisting of four wells, evenly divided between two well fields, to contain the Northwest Plume. As stated in the Northwest Plume Record of Decision (ROD), groundwater will be pumped at a rate to reduce further contamination and initiate control of the northwest contaminant plume. The objective of this evaluation was to determine the optimum (minimal) well field pumping rates required for plume hotspot containment. Plume hotspot, as defined in the Northwest Plume ROD and throughout this report, is that portion of the plume with trichloroethene (TCE) concentrations greater than 1,000 {micro}g/L. An existing 3-dimensional groundwater model was modified and used to perform capture zone analyses of the north and south interceptor system well fields. Model results suggest that the plume hotspot is not contained at the system design pumping rate of 100 gallons per minute (gal/min) per well field. Rather, the modeling determined that north and south well field pumping rates of 400 and 150 gal/min, respectively, are necessary for plume hotspot containment. The difference between the design and optimal pumping rates required for containment can be attributed to the discovery of a highly transmissive zone in the vicinity of the two well fields.

  19. QUANTUM MECHANICS WITHOUT STATISTICAL POSTULATES

    SciTech Connect (OSTI)

    G. GEIGER; ET AL

    2000-11-01

    The Bohmian formulation of quantum mechanics describes the measurement process in an intuitive way without a reduction postulate. Due to the chaotic motion of the hidden classical particle all statistical features of quantum mechanics during a sequence of repeated measurements can be derived in the framework of a deterministic single system theory.

  20. Mechanical Solutions Inc | Open Energy Information

    Open Energy Info (EERE)

    Mechanical Solutions Inc Jump to: navigation, search Name: Mechanical Solutions Inc Place: New York Product: New York-based contractor. References: Mechanical Solutions Inc1 This...

  1. Statistical mechanics based on fractional classical and quantum mechanics

    SciTech Connect (OSTI)

    Korichi, Z.; Meftah, M. T.

    2014-03-15

    The purpose of this work is to study some problems in statistical mechanics based on the fractional classical and quantum mechanics. At first stage we have presented the thermodynamical properties of the classical ideal gas and the system of N classical oscillators. In both cases, the Hamiltonian contains fractional exponents of the phase space (position and momentum). At the second stage, in the context of the fractional quantum mechanics, we have calculated the thermodynamical properties for the black body radiation, studied the Bose-Einstein statistics with the related problem of the condensation and the Fermi-Dirac statistics.

  2. Phase space quantum mechanics - Direct

    SciTech Connect (OSTI)

    Nasiri, S.; Sobouti, Y.; Taati, F.

    2006-09-15

    Conventional approach to quantum mechanics in phase space (q,p), is to take the operator based quantum mechanics of Schroedinger, or an equivalent, and assign a c-number function in phase space to it. We propose to begin with a higher level of abstraction, in which the independence and the symmetric role of q and p is maintained throughout, and at once arrive at phase space state functions. Upon reduction to the q- or p-space the proposed formalism gives the conventional quantum mechanics, however, with a definite rule for ordering of factors of noncommuting observables. Further conceptual and practical merits of the formalism are demonstrated throughout the text.

  3. Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces

    SciTech Connect (OSTI)

    James A. Smith; Jeffrey M. Lacy; Barry H. Rabin

    2014-07-01

    12. Other advances in QNDE and related topics: Preferred Session Laser-ultrasonics Developing A Laser Shockwave Model For Characterizing Diffusion Bonded Interfaces 41st Annual Review of Progress in Quantitative Nondestructive Evaluation Conference QNDE Conference July 20-25, 2014 Boise Centre 850 West Front Street Boise, Idaho 83702 James A. Smith, Jeffrey M. Lacy, Barry H. Rabin, Idaho National Laboratory, Idaho Falls, ID ABSTRACT: The US National Nuclear Security Agency has a Global Threat Reduction Initiative (GTRI) which is assigned with reducing the worldwide use of high-enriched uranium (HEU). A salient component of that initiative is the conversion of research reactors from HEU to low enriched uranium (LEU) fuels. An innovative fuel is being developed to replace HEU. The new LEU fuel is based on a monolithic fuel made from a U-Mo alloy foil encapsulated in Al-6061 cladding. In order to complete the fuel qualification process, the laser shock technique is being developed to characterize the clad-clad and fuel-clad interface strengths in fresh and irradiated fuel plates. The Laser Shockwave Technique (LST) is being investigated to characterize interface strength in fuel plates. LST is a non-contact method that uses lasers for the generation and detection of large amplitude acoustic waves to characterize interfaces in nuclear fuel plates. However the deposition of laser energy into the containment layer on specimen’s surface is intractably complex. The shock wave energy is inferred from the velocity on the backside and the depth of the impression left on the surface from the high pressure plasma pulse created by the shock laser. To help quantify the stresses and strengths at the interface, a finite element model is being developed and validated by comparing numerical and experimental results for back face velocities and front face depressions with experimental results. This paper will report on initial efforts to develop a finite element model for laser shock.

  4. Subgrid models for mass and thermal diffusion in turbulent mixing

    SciTech Connect (OSTI)

    Sharp, David H; Lim, Hyunkyung; Li, Xiao - Lin; Gilmm, James G

    2008-01-01

    We are concerned with the chaotic flow fields of turbulent mixing. Chaotic flow is found in an extreme form in multiply shocked Richtmyer-Meshkov unstable flows. The goal of a converged simulation for this problem is twofold: to obtain converged solutions for macro solution features, such as the trajectories of the principal shock waves, mixing zone edges, and mean densities and velocities within each phase, and also for such micro solution features as the joint probability distributions of the temperature and species concentration. We introduce parameterized subgrid models of mass and thermal diffusion, to define large eddy simulations (LES) that replicate the micro features observed in the direct numerical simulation (DNS). The Schmidt numbers and Prandtl numbers are chosen to represent typical liquid, gas and plasma parameter values. Our main result is to explore the variation of the Schmidt, Prandtl and Reynolds numbers by three orders of magnitude, and the mesh by a factor of 8 per linear dimension (up to 3200 cells per dimension), to allow exploration of both DNS and LES regimes and verification of the simulations for both macro and micro observables. We find mesh convergence for key properties describing the molecular level of mixing, including chemical reaction rates between the distinct fluid species. We find results nearly independent of Reynolds number for Re 300, 6000, 600K . Methodologically, the results are also new. In common with the shock capturing community, we allow and maintain sharp solution gradients, and we enhance these gradients through use of front tracking. In common with the turbulence modeling community, we include subgrid scale models with no adjustable parameters for LES. To the authors' knowledge, these two methodologies have not been previously combined. In contrast to both of these methodologies, our use of Front Tracking, with DNS or LES resolution of the momentum equation at or near the Kolmogorov scale, but without resolving the Batchelor scale, allows a feasible approach to the modeling of high Schmidt number flows.

  5. Enforcement Letter, Geiger Brothers Mechanical Contractors, INC...

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

    of Penetration Fire Seals at the DUF6 Conversion Building at the Portsmouth Gaseous Diffusion Plant On March 26, 2010, the U.S. Department of Energy (DOE) Office of Health,...

  6. Durability Improvements Through Degradation Mechanism Studies...

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

    Degradation Mechanism Studies Durability Improvements Through Degradation Mechanism Studies Presented at the Department of Energy Fuel Cell Projects Kickoff Meeting,...

  7. Sandia Energy - Statistical Mechanics with Density Functional...

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

    Statistical Mechanics with Density Functional Theory Accuracy Home Highlights - HPC Statistical Mechanics with Density Functional Theory Accuracy Previous Next Statistical...

  8. Mechanically balanced tapered plug valve

    DOE Patents [OSTI]

    Anaya, Jose R. (Coacalco, MX)

    1985-01-01

    The invention is a novel hermetic tapered plug valve having a spring-like resilient mechanism for providing axial balance to the plug and thereby prevent valve lock up.

  9. Mechanical Behavior of Indium Nanostructures

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

    Publication about this research: G. Lee, J.Y. Kim, A.S. Budiman, N. Tamura, M. Kunz, K. Chen, M.J. Burek, J.R. Greer, and T.Y. Tsui, "Fabrication, structure and mechanical...

  10. An investigation of the effect of diffusivity on the transport and spread of contaminants in groundwater systems

    SciTech Connect (OSTI)

    Nutter, D.; Stewart, M.; Muyshondt, A.

    1997-07-01

    Contaminant transport in groundwater is modeled using an advection diffusion equation. The diffusion component of the model is due to molecular diffusion and advection through the flow passages in the soil matrix which are smaller than the resolvable length scales. In addition to the physical diffusion, the advection/diffusion equation requires a certain amount of diffusion for the governing equations to be stable. If there is insufficient physical diffusion the cell Peclet number is less than 2 and oscillations in the solution occur. Balance numerical diffusion must be supplied for a stable solution. Numerical simulations of contaminant transport in groundwater flows must therefore include accurate models of as many of three forms of diffusion. One represents the subscale fluid path diffusion (either tensor, vector, or scalar in form), another is the scalar molecular diffusion (scalar), and the numerical stabilizing diffusion (again either tensor, vector, or scalar in form). The final result must reasonably model contaminant spread and transport for the predictions to be useful. In the literature, measurements of contaminant diffusivity are usually made using one dimensional experiments. Because of the dependence on higher level models to capture all of the physics in contaminant transport, it is to validate these models using realistic multidimensional geometries with comparisons to experimental data. Here, the effects of different diffusion models are examined and compared for two important cases. The first is a contaminant plume originating at the surface and extracted at a drain. The second case is an isolated region of contamination which is advected and diffused towards the drain. In the second case, qualitative comparisons can be made with limited visualization data. These results will eventually be used with a comprehensive experimental program to validate models of diffusion transport.

  11. 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 and development processes, including shoot growth, root branching, fruit ripening, tropisms, and flowering. But how such a simple molecule elicits such a variety of cellular responses has been a mystery. An important breakthrough came in 2005, wh en a conserved plant protein known as TIR1 (part of a protein destruction

  12. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  13. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  14. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  15. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  16. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  17. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  18. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Print Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale mechanical properties and reliability. Researchers from the University of

  19. Mechanical Behavior of Indium Nanostructures

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

    Mechanical Behavior of Indium Nanostructures Mechanical Behavior of Indium Nanostructures Print Wednesday, 26 May 2010 00:00 Indium is a key material in lead-free solder applications for microelectronics due to its excellent wetting properties, extended ductility, and high electrical conductivity. With the size of electronic devices continuing to shrink and the promise of indium-based nanotechnologies, it is important to develop a fundamental understanding of this material's small-scale

  20. Travelling fronts of the CO oxidation on Pd(111) with coverage-dependent diffusion

    SciTech Connect (OSTI)

    Cisternas, Jaime, E-mail: jecisternas@miuandes.cl [Facultad de Ingeniería y Ciencias Aplicadas, Universidad de los Andes, Monseñor Alvaro del Portillo 12455, Las Condes, Santiago (Chile); Karpitschka, Stefan [Physics of Fluids, University of Twente, Drienerlolaan 5, 7522 NB Enschede (Netherlands); Wehner, Stefan [Institut für Integrierte Naturwissenschaften - Physik, Universität Koblenz-Landau, 56070 Koblenz (Germany)

    2014-10-28

    In this work, we study a surface reaction on Pd(111) crystals under ultra-high-vacuum conditions that can be modeled by two coupled reaction-diffusion equations. In the bistable regime, the reaction exhibits travelling fronts that can be observed experimentally using photo electron emission microscopy. The spatial profile of the fronts reveals a coverage-dependent diffusivity for one of the species. We propose a method to solve the nonlinear eigenvalue problem and compute the direction and the speed of the fronts based on a geometrical construction in phase-space. This method successfully captures the dependence of the speed on control parameters and diffusivities.

  1. Coaxial probe for nuclear magnetic resonance diffusion and relaxation correlation experiments

    SciTech Connect (OSTI)

    Tang, Yiqiao; Hürlimann, Martin; Mandal, Soumyajit; Paulsen, Jeffrey; Song, Yi-Qiao

    2014-02-21

    A coaxial nuclear magnetic resonance (NMR) probe is built to measure diffusion and relaxation properties of liquid samples. In particular, we demonstrate the acquisition of two-dimensional (2D) distribution functions (T{sub 1}-T{sub 2} and diffusion–T{sub 2}), essential for fluids characterization. The compact design holds promise for miniaturization, thus enabling the measurement of molecular diffusion that is inaccessible to conventional micro-NMR setups. Potential applications range from crude oil characterization to biomolecular screening and detections.

  2. System for diffusing light from an optical fiber or light guide

    DOE Patents [OSTI]

    Maitland, Duncan J. (Pleasant Hill, CA) [Pleasant Hill, CA; Wilson, Thomas S. (San Leandro, CA) [San Leandro, CA; Benett, William J. (Livermore, CA) [Livermore, CA; Small, IV, Ward [(Livermore, CA)

    2008-06-10

    A system for diffusing light from an optical fiber wherein the optical fiber is coupled to a light source, comprising forming a polymer element adapted to be connected to the optical fiber and incorporating a scattering element with the polymer element wherein the scattering element diffuses the light from the polymer element. The apparatus of the present invention comprises a polymer element operatively connected to the optical fiber and a scattering element operatively connected with the shape polymer element that diffuses the light from the polymer element.

  3. Characteristics of Signals Originating Near the Lithium-Diffused N+ Contact

    Office of Scientific and Technical Information (OSTI)

    of High Purity Germanium P-Type Point Contact Detectors (Journal Article) | SciTech Connect Characteristics of Signals Originating Near the Lithium-Diffused N+ Contact of High Purity Germanium P-Type Point Contact Detectors Citation Details In-Document Search Title: Characteristics of Signals Originating Near the Lithium-Diffused N+ Contact of High Purity Germanium P-Type Point Contact Detectors A study of signals originating near the lithium-diffused n+ contact of p-type point contact (PPC)

  4. The time dependent propensity function for acceleration of spatial stochastic simulation of reaction–diffusion systems

    SciTech Connect (OSTI)

    Fu, Jin; Wu, Sheng; Li, Hong; Petzold, Linda R.

    2014-10-01

    The inhomogeneous stochastic simulation algorithm (ISSA) is a fundamental method for spatial stochastic simulation. However, when diffusion events occur more frequently than reaction events, simulating the diffusion events by ISSA is quite costly. To reduce this cost, we propose to use the time dependent propensity function in each step. In this way we can avoid simulating individual diffusion events, and use the time interval between two adjacent reaction events as the simulation stepsize. We demonstrate that the new algorithm can achieve orders of magnitude efficiency gains over widely-used exact algorithms, scales well with increasing grid resolution, and maintains a high level of accuracy.

  5. Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte

    Office of Scientific and Technical Information (OSTI)

    Carlo study (Journal Article) | SciTech Connect Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study Citation Details In-Document Search Title: Simulation of atomic diffusion in the Fcc NiAl system: A kinetic Monte Carlo study 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

  6. Big Data Projects on Solar Tech Evolution and Diffusion | Department of

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

    Energy Big Data Projects on Solar Tech Evolution and Diffusion Big Data Projects on Solar Tech Evolution and Diffusion This is the meeting agenda from the Big Data Projects on Solar Technology Evolution and Diffusion kickoff meeting, held on July 15, 2013 in Arlington, VA and facilitated by the SunShot Initiative. PDF icon seeds_agenda.pdf More Documents & Publications 2014 SunShot Initiative Soft Costs Subprogram Overview The New Science of Soft Costs Breakout Session Flier Download the

  7. Method of applying a cerium diffusion coating to a metallic alloy

    DOE Patents [OSTI]

    Jablonski, Paul D. (Salem, OR); Alman, David E. (Benton, OR)

    2009-06-30

    A method of applying a cerium diffusion coating to a preferred nickel base alloy substrate has been discovered. A cerium oxide paste containing a halide activator is applied to the polished substrate and then dried. The workpiece is heated in a non-oxidizing atmosphere to diffuse cerium into the substrate. After cooling, any remaining cerium oxide is removed. The resulting cerium diffusion coating on the nickel base substrate demonstrates improved resistance to oxidation. Cerium coated alloys are particularly useful as components in a solid oxide fuel cell (SOFC).

  8. DOE completes demolition of K-31 gaseous diffusion building | Department of

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

    Energy completes demolition of K-31 gaseous diffusion building DOE completes demolition of K-31 gaseous diffusion building June 26, 2015 - 1:31pm Addthis Workers take down the last section of the K-31 Building. Workers take down the last section of the K-31 Building. OAK RIDGE, Tenn. - Demolition of the K-31 Building at Oak Ridge's East Tennessee Technology Park (ETTP) was completed today, marking the removal of the fourth of five gaseous diffusion buildings at the former uranium enrichment

  9. Solution of the nonlinear Poisson-Boltzmann equation: Application to ionic diffusion in cementitious materials

    SciTech Connect (OSTI)

    Arnold, J.; Kosson, D.S.; Garrabrants, A.; Meeussen, J.C.L.; Sloot, H.A. van der

    2013-02-15

    A robust numerical solution of the nonlinear Poisson-Boltzmann equation for asymmetric polyelectrolyte solutions in discrete pore geometries is presented. Comparisons to the linearized approximation of the Poisson-Boltzmann equation reveal that the assumptions leading to linearization may not be appropriate for the electrochemical regime in many cementitious materials. Implications of the electric double layer on both partitioning of species and on diffusive release are discussed. The influence of the electric double layer on anion diffusion relative to cation diffusion is examined.

  10. Mechanical Response of Thermoelectric Materials

    SciTech Connect (OSTI)

    Wereszczak, Andrew A.; Case, Eldon D.

    2015-05-01

    A sufficient mechanical response of thermoelectric materials (TEMats) to structural loadings is a prerequisite to the exploitation of any candidate TEMat's thermoelectric efficiency. If a TEMat is mechanically damaged or cracks from service-induced stresses, then its thermal and electrical functions can be compromised or even cease. Semiconductor TEMats tend to be quite brittle and have a high coefficient of thermal expansion; therefore, they can be quite susceptible to mechanical failure when subjected to operational thermal gradients. Because of this, sufficient mechanical response (vis-a-vis, mechanical properties) of any candidate TEMat must be achieved and sustained in the context of the service-induced stress state to which it is subjected. This report provides an overview of the mechanical responses of state-of-the-art TEMats; discusses the relevant properties that are associated with those responses and their measurement; and describes important, nonequilibrium phenomena that further complicate their use in thermoelectric devices. For reference purposes, the report also includes several appendixes that list published data on elastic properties and strengths of a variety of TEMats.

  11. Gas-bubble growth mechanisms in the analysis of metal fuel swelling

    SciTech Connect (OSTI)

    Gruber, E.E.; Kramer, J.M.

    1986-06-01

    During steady-state irradiation, swelling rates associated with growth of fission-gas bubbles in metallic fast reactor fuels may be expected to remain small. As a consequence, bubble-growth mechanisms are not a major consideration in modeling the steady-state fuel behavior, and it is usually adequate to consider the gas pressure to be in equilibrium with the external pressure and surface tension restraint. On transient time scales, however, various bubble-growth mechanisms become important components of the swelling rate. These mechanisms include growth by diffusion, for bubbles within grains and on grain boundaries; dislocation nucleation at the bubble surface, or ''punchout''; and bubble growth by creep. Analyses of these mechanisms are presented and applied to provide information on the conditions and the relative time scales for which the various processes should dominate fuel swelling. The results are compared to a series of experiments in which the swelling of irradiated metal fuel was determined after annealing at various temperatures and pressures. The diffusive growth of bubbles on grain boundaries is concluded to be dominant in these experiments.

  12. Modeling Solute Diffusion in the Presence of Pore-Scale Heterogeneity...

    Office of Scientific and Technical Information (OSTI)

    the Rustler formation, NM. Earlier tracer tests in the culebra at the field-scale have ... data from eight laboratory-scale diffusion experiments performed on five Culebra samples. ...

  13. Diffusion of CO{sub 2} on Rutile TiO{sub 2}(110) Surface

    SciTech Connect (OSTI)

    Lee, Junseok; Sorescu, Dan C.; Deng, Xingyi; Jordan, Kenneth D.

    2011-12-15

    The diffusion of CO{sub 2} molecules on a reduced rutile TiO{sub 2}(110)-(1×1) surface has been investigated using scanning tunneling microscopy (STM) and density functional theory (DFT) calculations. The STM feature associated with a CO{sub 2} molecule at an oxygen vacancy (V{sub O}) becomes increasingly streaky with increasing temperature, indicating thermally activated CO{sub 2} diffusion from the V{sub O} site. From temperature-dependent tunneling current measurements, the barrier for diffusion of CO{sub 2} from the V{sub O} site is estimated to be 3.31 ± 0.23 kcal/mol. The corresponding value from the DFT calculations is 3.80 kcal/mol. In addition, the DFT calculations give a barrier for diffusion of CO{sub 2} along Ti rows of only 1.33 kcal/mol.

  14. Project Profile: An Emergent Model of Technology Adoption for Accelerating the Diffusion of Residential Solar PV

    Broader source: Energy.gov [DOE]

    The University of Texas at Austin, along with partners at Frontier Associates and Austin Energy, under the Solar Energy Evolution and Diffusion Studies (SEEDS) program, is developing an integrated...

  15. Gas-Phase Diffusion in Porous Media: Comparison of Models Stephen...

    Office of Scientific and Technical Information (OSTI)

    This model applies the kinetic theory of gases to the gaseous components and the porous ... In the case of pure ordinary diffusion (no advection), the ADM reduces to For a binary ...

  16. Thin Oxides as a Cu Diffusion Barrier for NIF Be Ablator Capsules

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

    Youngblood, Kelly P.; Huang, H.; Xu, H. W.; Hayes, J.; Moreno, K. A.; Wu, J. J.; Nikroo, A.; Alford, C. A.; Hamza, A. V.; Kucheyev, S. O.; et al

    2013-03-01

    The NIF point design uses a five-layer capsule to modify the X-ray absorption in order to achieve optimized shock timing. A stepped copper dopant design defines the layer structure. The production of the capsule involves pyrolysis to remove the inner plastic mandrel. Copper atoms diffuse radially and azimuthally throughout the capsule during pyrolysis. This diffusion significantly diminishes the capsule performance during implosion. Thermal and coated oxide barrier layers employed between layers mitigate the diffusion of copper during the mandrel removal process. The copper atoms do not diffuse through this barrier during pyrolysis. A capsule fabrication method that produces a capsulemore » with a thin oxide layer will be discussed.« less

  17. Indium diffusion through high-k dielectrics in high-k/InP stacks

    SciTech Connect (OSTI)

    Dong, H.; Cabrera, W.; Santosh KC,; Brennan, B.; Qin, X.; McDonnell, S.; Hinkle, C. L.; Cho, K.; Chabal, Y. J.; Galatage, R. V.; Zhernokletov, D.; Wallace, R. M.; Department of Physics, University of Texas at Dallas, Richardson, Texas 75080

    2013-08-05

    Evidence of indium diffusion through high-k dielectric (Al{sub 2}O{sub 3} and HfO{sub 2}) films grown on InP (100) by atomic layer deposition is observed by angle resolved X-ray photoelectron spectroscopy and low energy ion scattering spectroscopy. The analysis establishes that In-out diffusion occurs and results in the formation of a PO{sub x} rich interface.

  18. Portsmouth Gaseous Diffusion Plant Director's Final Findings and Orders, October 4, 1995

    Office of Environmental Management (EM)

    Gaseous Diffusion Plant Director's Final Findings and Orders, October 4, 1995 BEFORE THE OHIO ENVIRONMENTAL PROTECTION AGENCY In the Matter Of: United States Department of Energy : Director's Final Portsmouth Gaseous Diffusion Plant : Findings and Orders P.O. Box 700 : Piketon, Ohio 45661-0700 : Respondent It is hereby agreed by and among the parties hereto as follows: Table of Contents I. Jurisdiction II. Parties Bound III. Definitions IV. Findings of Fact V. Orders VI. Limitations of

  19. Bipolar plate/diffuser for a proton exchange membrane fuel cell

    DOE Patents [OSTI]

    Besmann, Theodore M. (Oak Ridge, TN); Burchell, Timothy D. (Oak Ridge, TN)

    2000-01-01

    A combination bipolar plate/diffuser fuel cell component includes an electrically conducting solid material having: a porous region having a porous surface; and a hermetic region, the hermetic region defining at least a portion of at least one coolant channel, the porous region defining at least a portion of at least one reactant channel, the porous region defining a flow field medium for diffusing the reactant to the porous surface.

  20. Bipolar plate/diffuser for a proton exchange membrane fuel cell

    DOE Patents [OSTI]

    Besmann, Theodore M. (Oak Ridge, TN); Burchell, Timothy D. (Oak Ridge, TN)

    2001-01-01

    A combination bipolar plate/diffuser fuel cell component includes an electrically conducting solid material having: a porous region having a porous surface; and a hermetic region, the hermetic region defining at least a portion of at least one coolant channel, the porous region defining at least a portion of at least one reactant channel, the porous region defining a flow field medium for diffusing the reactant to the porous surface.

  1. Study of diffusion of indocyanine green as a photodynamic dye into skin using backscattering spectroscopy

    SciTech Connect (OSTI)

    Genina, E A; Bashkatov, A N; Tuchin, V V

    2014-07-31

    One of the lines of development of modern medicine is theranostics consisting in simultaneous diagnosis and laser treatment with the use of multifunctional agents such as fluorescent indocyanine green that has photodynamic and photothermal properties. Diffusion of indocyanine green dissolved in water and aqueous solutions of alcohols (glycerol, propylene glycol and ethanol) into the dermis is studied by using backscattering spectroscopy. The coefficients of the dye diffusion into the dermis are obtained for the first time by using these solvents. (laser biophotonics)

  2. An Improved Daylight Correction for IR Loss in ARM Diffuse SW Measurements

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

    An Improved Daylight Correction for IR Loss in ARM Diffuse SW Measurements C. N. Long, K. Younkin, and K. L. Gaustad Pacific Northwest National Laboratory Richland, Washington J. A. Augustine National Oceanic and Atmospheric Administration Air Resources Laboratory Surface Radiation Research Branch Boulder, Colorado Introduction A paper by Cess et al. (2000) notes that some clear-sky diffuse shortwave (SW) measurements they were using from the Atmospheric Radiation Measurement (ARM) Southern

  3. 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

    2011-04-01

    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. The 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.

  4. Impact of mesophyll diffusion on estimated global land CO2 fertilization

    Office of Scientific and Technical Information (OSTI)

    (Journal Article) | SciTech Connect 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 fertilization Authors: Sun, Ying [1] ; Gu, Lianhong [2] ; Dickinson, Dr. Robert [1] ; Norby, Richard J [2] ; Pallardy, Stephen G. [3] ; Hoffman, Forrest M [2] + Show Author Affiliations University of Texas at Austin ORNL University of Missouri Publication Date: 2014-01-01 OSTI

  5. Influences of Exciton Diffusion and Exciton-Exciton Annihilation on Photon

    Office of Scientific and Technical Information (OSTI)

    Emission Statistics of Carbon Nanotubes (Journal Article) | SciTech Connect Influences of Exciton Diffusion and Exciton-Exciton Annihilation on Photon Emission Statistics of Carbon Nanotubes Citation Details In-Document Search This content will become publicly available on July 1, 2016 Title: Influences of Exciton Diffusion and Exciton-Exciton Annihilation on Photon Emission Statistics of Carbon Nanotubes Authors: Ma, Xuedan ; Roslyak, Oleskiy ; Duque, Juan G. ; Pang, Xiaoying ; Doorn,

  6. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First

    Office of Scientific and Technical Information (OSTI)

    Principles Molecular Dynamics (Conference) | SciTech Connect Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics Citation Details In-Document Search Title: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles Molecular Dynamics Authors: Ong, M T ; Lordi, V ; Draeger, E W ; Pask, J E Publication Date: 2014-11-05 OSTI Identifier: 1178391 Report Number(s): LLNL-PROC-663811 DOE Contract Number:

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

    Office of Scientific and Technical Information (OSTI)

    Principles and Classical Reactive Molecular Dynamics (Journal Article) | SciTech Connect Journal Article: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics Citation Details In-Document Search 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 W ; van Duin, A ; Lordi, V ; Pask, J E

  8. Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First

    Office of Scientific and Technical Information (OSTI)

    Principles and Classical Reactive Molecular Dynamics (Journal Article) | SciTech Connect Journal Article: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics Citation Details In-Document Search Title: Lithium Ion Solvation and Diffusion in Bulk Organic Electrolytes from First Principles and Classical Reactive Molecular Dynamics × You are accessing a document from the Department of Energy's (DOE) SciTech Connect.

  9. A fully implicit method for 3D quasi-steady state magnetic advection-diffusion.

    SciTech Connect (OSTI)

    Siefert, Christopher; Robinson, Allen Conrad

    2009-09-01

    We describe the implementation of a prototype fully implicit method for solving three-dimensional quasi-steady state magnetic advection-diffusion problems. This method allows us to solve the magnetic advection diffusion equations in an Eulerian frame with a fixed, user-prescribed velocity field. We have verified the correctness of method and implementation on two standard verification problems, the Solberg-White magnetic shear problem and the Perry-Jones-White rotating cylinder problem.

  10. The Digital Road to Scientific Knowledge Diffusion; A Faster, Better Way to

    Office of Scientific and Technical Information (OSTI)

    Scientific Progress? (Journal Article) | SciTech Connect Journal Article: 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 Diffusion; A Faster, Better Way to Scientific Progress? With the United States federal government spending billions annually for research and development, ways to increase the productivity of that research can have a significant return on

  11. Determination of phonon dispersion relations by X-ray thermal diffuse

    Office of Scientific and Technical Information (OSTI)

    scattering (Journal Article) | SciTech Connect Determination of phonon dispersion relations by X-ray thermal diffuse scattering Citation Details In-Document Search Title: Determination of phonon dispersion relations by X-ray thermal diffuse scattering Authors: Xu, R. ; Chiang, T.-C. [1] + Show Author Affiliations (UIUC) Publication Date: 2015-02-19 OSTI Identifier: 1171204 Resource Type: Journal Article Resource Relation: Journal Name: Z. Kristallogr.; Journal Volume: 220; Journal Issue:

  12. 31P-Edited Diffusion-Ordered 1H NMR Spectroscopy for the Isolation and

    Office of Scientific and Technical Information (OSTI)

    Identification of Organophosphorus Compounds Related to Chemical Weapons Agents and their Degradation Products (Journal Article) | SciTech Connect 31P-Edited Diffusion-Ordered 1H NMR Spectroscopy for the Isolation and Identification of Organophosphorus Compounds Related to Chemical Weapons Agents and their Degradation Products Citation Details In-Document Search Title: 31P-Edited Diffusion-Ordered 1H NMR Spectroscopy for the Isolation and Identification of Organophosphorus Compounds Related

  13. A Method to Analyze the Diffuse Gamma-Ray Emission with the Fermi Large

    Office of Scientific and Technical Information (OSTI)

    Area Telescope (Journal Article) | SciTech Connect A Method to Analyze the Diffuse Gamma-Ray Emission with the Fermi Large Area Telescope Citation Details In-Document Search Title: A Method to Analyze the Diffuse Gamma-Ray Emission with the Fermi Large Area Telescope Authors: Ackermann, Markus ; /KIPAC, Menlo Park /SLAC ; Johannesson, Gudlaugur ; /KIPAC, Menlo Park /SLAC ; Digel, Seth ; /KIPAC, Menlo Park /SLAC ; Moskalenko, Igor V. ; /KIPAC, Menlo Park /SLAC ; Porter, Troy ; /UC, Santa Cruz

  14. A coupling strategy for nonlocal and local diffusion models with mixed

    Office of Scientific and Technical Information (OSTI)

    volume constraints and boundary conditions (Journal Article) | SciTech Connect A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions Citation Details In-Document Search This content will become publicly available on December 21, 2016 Title: A coupling strategy for nonlocal and local diffusion models with mixed volume constraints and boundary conditions We develop and analyze an optimization-based method for the coupling of nonlocal

  15. EA-1927: Conveyance of Land and Facilities at the Paducah Gaseous Diffusion

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

    Plant for Economic Development Purposes, Paducah, Kentucky | Department of Energy EA-1927: Conveyance of Land and Facilities at the Paducah Gaseous Diffusion Plant for Economic Development Purposes, Paducah, Kentucky EA-1927: Conveyance of Land and Facilities at the Paducah Gaseous Diffusion Plant for Economic Development Purposes, Paducah, Kentucky SUMMARY DOE's Portsmouth/Paducah Project Office has prepared a Draft EA for potential land and facilities transfers at the Paducah Gaseous

  16. THE VEX RADIATION MODULE: 2D RADIATION TRANSPORT WITH MIMETIC DIFFUSION FOR

    Office of Scientific and Technical Information (OSTI)

    EXAFLAG (Conference) | SciTech Connect THE VEX RADIATION MODULE: 2D RADIATION TRANSPORT WITH MIMETIC DIFFUSION FOR EXAFLAG Citation Details In-Document Search Title: THE VEX RADIATION MODULE: 2D RADIATION TRANSPORT WITH MIMETIC DIFFUSION FOR EXAFLAG Authors: Powell, Devon M. [1] ; Lovegrove, Elizabeth G. [1] ; Fung, Jimmy [1] ; Kenamond, Mark A. [1] + Show Author Affiliations Los Alamos National Laboratory Publication Date: 2013-08-16 OSTI Identifier: 1090702 Report Number(s): LA-UR-13-26513

  17. The Digital Road to Scientific Knowledge Diffusion; A Faster, Better Way to

    Office of Scientific and Technical Information (OSTI)

    Scientific Progress? (Journal Article) | SciTech Connect 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 Diffusion; A Faster, Better Way to Scientific Progress? With the United States federal government spending billions annually for research and development, ways to increase the productivity of that research can have a significant return on investment. The

  18. First-principles binary diffusion coefficients for H, H{sub 2}, and four normal alkanes + N{sub 2}

    SciTech Connect (OSTI)

    Jasper, Ahren W. Kamarchik, Eugene; Miller, James A.; Klippenstein, Stephen J.

    2014-09-28

    Collision integrals related to binary (dilute gas) diffusion are calculated classically for six species colliding with N{sub 2}. 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 + N{sub 2} and H{sub 2} + N{sub 2} and with recent experimental results for C{sub n}H{sub 2n+2} + N{sub 2}, 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 structure of the colliders (i.e., neglecting inelasticity), and (3) employing unphysical R{sup ?12} repulsive interactions. The effect of anisotropy is found to be negligible for H + N{sub 2} and H{sub 2} + N{sub 2} (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 + N{sub 2} by 15% at 300 K. The neglect of inelasticity, in contrast, introduces only very small errors. Approximating the repulsive wall as an unphysical R{sup ?12} interaction is a significant source of error at all temperatures for the weakly interacting systems H + N{sub 2} and H{sub 2} + N{sub 2}, with errors as large as 40%. For the normal alkanes in N{sub 2}, 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 + N{sub 2}. For these systems, anisotropy and inelasticity can safely be neglected but a more detailed description of the repulsive wall is required for quantitative predictions. A straightforward approach for calculating effective isotropic potentials with realistic repulsive walls is described. An analytic expression for the calculated diffusion coefficient for H + N{sub 2} is presented and is estimated to have a 2-sigma error bar of only 0.7%.

  19. Steady state effects in a two-pulse diffusion-weighted sequence

    SciTech Connect (OSTI)

    Zubkov, Mikhail; Stait-Gardner, Timothy; Price, William S.; Stilbs, Peter

    2015-04-21

    In conventional nuclear magnetic resonance (NMR) diffusion measurements a significant amount of experimental time is used up by magnetization recovery, serving to prevent the formation of the steady state, as in the latter case the manifestation of diffusion is modulated by multiple applications of the pulse sequence and conventional diffusion coefficient inference procedures are generally not applicable. Here, an analytical expression for diffusion-related effects in a two-pulse NMR experiment (e.g., pulsed-gradient spin echo) in the steady state mode (with repetition times less than the longitudinal relaxation time of the sample) is derived by employing a Fourier series expansion within the solution of the Bloch-Torrey equations. Considerations are given for the transition conditions between the full relaxation and the steady state experiment description. The diffusion coefficient of a polymer solution (polyethylene glycol) is measured by a two-pulse sequence in the full relaxation mode and for a range of repetition times, approaching the rapid steady state experiment. The precision of the fitting employing the presented steady state solution by far exceeds that of the conventional fitting. Additionally, numerical simulations are performed yielding results strongly supporting the proposed description of the NMR diffusion measurements in the steady state.

  20. Measurement of laser heating in spin exchange optical pumping by NMR diffusion sensitization gradients

    SciTech Connect (OSTI)

    Parnell, Steven R.; Deppe, Martin H.; Ajraoui, Salma; Parra-Robles, Juan; Wild, Jim M.; Boag, Stephen

    2010-05-15

    This paper details pulsed gradient NMR measurements of the {sup 3}He diffusion coefficient in sealed cells during spin exchange optical pumping. The potential of ultra low field magnetic resonance imgaing (MRI) and NMR for noninvasive measurement of cell pressure is demonstrated. Diffusion sensitization gradients allow measurement of the {sup 3}He diffusion coefficient from which the pressure and/or temperature of the gas can be determined during optical pumping. The pressure measurements were compared with neutron time of flight transmission measurements. Good agreement was observed between the temperature/pressure measurements and predictions based on Chapman-Enskog theory. The technique had sufficient sensitivity to observe the diffusion coefficient increasing with temperature in a sealed cell. With this method, evidence for laser heating of the {sup 3}He during optical pumping was found. The results show that NMR diffusion measurements allow noninvasive measurement of the cell temperature and/or pressure in an optical pumping setup. The method can be expanded using MRI to probe the spatial distribution of the diffusion coefficient. These techniques can be applied to the further investigation of polarization limiting effects such as laser heating.

  1. Empirical correlations between the arrhenius' parameters of impurities' diffusion coefficients in CdTe crystals

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

    Shcherbak, L.; Kopach, O.; Fochuk, P.; James, R. B.; Bolotnikov, A. E.

    2015-01-21

    Understanding of self- and dopant-diffusion in semiconductor devices is essential to our being able to assure the formation of well-defined doped regions. In this paper, we compare obtained in the literature up to date the Arrhenius’ parameters (D=D0exp(–ΔEa/kT)) of point-defect diffusion coefficients and the I-VII groups impurities in CdTe crystals and films. We found that in the diffusion process there was a linear dependence between the pre-exponential factor, D0, and the activation energy, ΔEa, of different species: This was evident in the self-diffusivity and isovalent impurity Hg diffusivity as well as for the dominant IIIA and IVA groups impurities andmore » Chlorine, except for the fast diffusing elements (e.g., Cu and Ag), chalcogens O, S, and Se, halogens I and Br as well as the transit impurities Mn, Co, Fe. As a result, reasons of the lack of correspondence of the data to compensative dependence are discussed.« less

  2. MAGNETIC TRANSPORT ON THE SOLAR ATMOSPHERE BY LAMINAR AND TURBULENT AMBIPOLAR DIFFUSION

    SciTech Connect (OSTI)

    Hiraki, Y. [National Institute for Fusion Science (NIFS), Toki, Gifu (Japan); Krishan, V. [Raman Research Institute, Bangalore 560 080 (India); Masuda, S., E-mail: hiraki.yasutaka@nifs.ac.j [Solar-Terrestrial Environment Laboratory, Nagoya University, Nagoya, Aichi (Japan)

    2010-09-10

    The lower solar atmosphere consists of partially ionized turbulent plasmas harboring velocity field, magnetic field, and current density fluctuations. The correlations among these small-scale fluctuations give rise to large-scale flows and magnetic fields which decisively affect all transport processes. The three-fluid system consisting of electrons, ions, and neutral particles supports nonideal effects such as the Hall effect and ambipolar diffusion. Here, we study magnetic transport by the laminar- and turbulent-scale ambipolar diffusion processes using a simple model of the magnetic induction equation. Based on a linear analysis of the induction equation, we perform a one-dimensional numerical simulation to study the laminar ambipolar effect on medium-scale magnetic field structures. The nonlinearity of the laminar ambipolar diffusion creates magnetic structures with sharp gradients in the scale of hundreds of kilometers. We expect that these can be amenable to processes such as magnetic reconnection and energy release therefrom for heating and flaring of the solar plasma. Analyzing the characteristic timescales of these processes, we find that the turbulent diffusion timescale is smaller by several orders of magnitude than the laminar diffusion timescale. The effect of the modeled turbulent ambipolar diffusion on the obtained field structures is briefly discussed.

  3. Modeling cation diffusion in compacted water-saturatedNa-bentonite at low ionic strength

    SciTech Connect (OSTI)

    Bourg, Ian C.; Sposito, Garrison; Bourg, Alain C.M.

    2007-08-28

    Sodium bentonites are used as barrier materials for the isolation of landfills and are under consideration for a similar use in the subsurface storage of high-level radioactive waste. The performance of these barriers is determined in large part by molecular diffusion in the bentonite pore space. We tested two current models of cation diffusion in bentonite against experimental data on the relative apparent diffusion coefficients of two representative cations, sodium and strontium. On the 'macropore/nanopore' model, solute molecules are divided into two categories, with unequal pore-scale diffusion coefficients, based on location: in macropores or in interlayer nanopores. On the 'surface diffusion' model, solute molecules are divided into categories based on chemical speciation: dissolved or adsorbed. The macropore/nanopore model agrees with all experimental data at partial montmorillonite dry densities ranging from 0.2 (a dilute bentonite gel) to 1.7 kg dm{sup -3} (a highly compacted bentonite with most of its pore space located in interlayer nanopores), whereas the surface diffusion model fails at partial montmorillonite dry densities greater than about 1.2 kg dm{sup -3}.

  4. Detailed numerical investigation of the Bohm limit in cosmic ray diffusion theory

    SciTech Connect (OSTI)

    Hussein, M.; Shalchi, A. E-mail: andreasm4@yahoo.com

    2014-04-10

    A standard model in cosmic ray diffusion theory is the so-called Bohm limit in which the particle mean free path is assumed to be equal to the Larmor radius. This type of diffusion is often employed to model the propagation and acceleration of energetic particles. However, recent analytical and numerical work has shown that standard Bohm diffusion is not realistic. In the present paper, we perform test-particle simulations to explore particle diffusion in the strong turbulence limit in which the wave field is much stronger than the mean magnetic field. We show that there is indeed a lower limit of the particle mean free path along the mean field. In this limit, the mean free path is directly proportional to the unperturbed Larmor radius like in the traditional Bohm limit, but it is reduced by the factor ?B/B {sub 0} where B {sub 0} is the mean field and ?B the turbulent field. Although we focus on parallel diffusion, we also explore diffusion across the mean field in the strong turbulence limit.

  5. Majorana Electroformed Copper Mechanical Analysis

    SciTech Connect (OSTI)

    Overman, Nicole R.; Overman, Cory T.; Kafentzis, Tyler A.; Edwards, Danny J.; Hoppe, Eric W.

    2012-04-30

    The MAJORANA DEMONSTRATOR is a large array of ultra-low background high-purity germanium detectors, enriched in 76Ge, designed to search for zero-neutrino double-beta decay. The DEMONSTRATOR will utilize ultra high purity electroformed copper for a variety of detector components and shielding. A preliminary mechanical evaluation was performed on the Majorana prototype electroformed copper material. Several samples were removed from a variety of positions on the mandrel. Tensile testing, optical metallography, scanning electron microscopy, and hardness testing were conducted to evaluate mechanical response. Analyses carried out on the Majorana prototype copper to this point show consistent mechanical response from a variety of test locations. Evaluation shows the copper meets or exceeds the design specifications.

  6. Negative hydrogen ion production mechanisms

    SciTech Connect (OSTI)

    Bacal, M.; Wada, M.

    2015-06-15

    Negative hydrogen/deuterium ions can be formed by processes occurring in the plasma volume and on surfaces facing the plasma. The principal mechanisms leading to the formation of these negative ions are dissociative electron attachment to ro-vibrationally excited hydrogen/deuterium molecules when the reaction takes place in the plasma volume, and the direct electron transfer from the low work function metal surface to the hydrogen/deuterium atoms when formation occurs on the surface. The existing theoretical models and reported experimental results on these two mechanisms are summarized. Performance of the negative hydrogen/deuterium ion sources that emerged from studies of these mechanisms is reviewed. Contemporary negative ion sources do not have negative ion production electrodes of original surface type sources but are operated with caesium with their structures nearly identical to volume production type sources. Reasons for enhanced negative ion current due to caesium addition to these sources are discussed.

  7. Predicting the influence of long-range molecular interactions on macroscopic-scale diffusion by homogenization of the Smoluchowski equation

    SciTech Connect (OSTI)

    Kekenes-Huskey, P. M.; Gillette, A. K.; McCammon, J. A.; Department of Chemistry, Howard Hughes Medical Institute, University of California San Diego, La Jolla, California 92093-0636

    2014-05-07

    The macroscopic diffusion constant for a charged diffuser is in part dependent on (1) the volume excluded by solute “obstacles” and (2) long-range interactions between those obstacles and the diffuser. Increasing excluded volume reduces transport of the diffuser, while long-range interactions can either increase or decrease diffusivity, depending on the nature of the potential. We previously demonstrated [P. M. Kekenes-Huskey et al., Biophys. J. 105, 2130 (2013)] using homogenization theory that the configuration of molecular-scale obstacles can both hinder diffusion and induce diffusional anisotropy for small ions. As the density of molecular obstacles increases, van der Waals (vdW) and electrostatic interactions between obstacle and a diffuser become significant and can strongly influence the latter's diffusivity, which was neglected in our original model. Here, we extend this methodology to include a fixed (time-independent) potential of mean force, through homogenization of the Smoluchowski equation. We consider the diffusion of ions in crowded, hydrophilic environments at physiological ionic strengths and find that electrostatic and vdW interactions can enhance or depress effective diffusion rates for attractive or repulsive forces, respectively. Additionally, we show that the observed diffusion rate may be reduced independent of non-specific electrostatic and vdW interactions by treating obstacles that exhibit specific binding interactions as “buffers” that absorb free diffusers. Finally, we demonstrate that effective diffusion rates are sensitive to distribution of surface charge on a globular protein, Troponin C, suggesting that the use of molecular structures with atomistic-scale resolution can account for electrostatic influences on substrate transport. This approach offers new insight into the influence of molecular-scale, long-range interactions on transport of charged species, particularly for diffusion-influenced signaling events occurring in crowded cellular environments.

  8. Battery Vent Mechanism And Method

    DOE Patents [OSTI]

    Ching, Larry K. W. (Littleton, CO)

    2000-02-15

    Disclosed herein is a venting mechanism for a battery. The venting mechanism includes a battery vent structure which is located on the battery cover and may be integrally formed therewith. The venting mechanism includes an opening extending through the battery cover such that the opening communicates with a plurality of battery cells located within the battery case. The venting mechanism also includes a vent manifold which attaches to the battery vent structure. The vent manifold includes a first opening which communicates with the battery vent structure opening and second and third openings which allow the vent manifold to be connected to two separate conduits. In this manner, a plurality of batteries may be interconnected for venting purposes, thus eliminating the need to provide separate vent lines for each battery. The vent manifold may be attached to the battery vent structure by a spin-welding technique. To facilitate this technique, the vent manifold may be provided with a flange portion which fits into a corresponding groove portion on the battery vent structure. The vent manifold includes an internal chamber which is large enough to completely house a conventional battery flame arrester and overpressure safety valve. In this manner, the vent manifold, when installed, lessens the likelihood of tampering with the flame arrester and safety valve.

  9. Mechanical scriber for semiconductor devices

    DOE Patents [OSTI]

    Lin, Peter T. (East Brunswick, NJ)

    1985-01-01

    A mechanical scriber using a scribing tip, such as a diamond, provides controlled scriber forces with a spring-loaded compound lever arrangement. The scribing force and range of scribing depth are adjusted by a pair of adjustable micrometer heads. A semiconductor device, such as a multilayer solar cell, can be formed into scribed strips at each layer.

  10. Mechanical scriber for semiconductor devices

    DOE Patents [OSTI]

    Lin, P.T.

    1985-03-05

    A mechanical scriber using a scribing tip, such as a diamond, provides controlled scriber forces with a spring-loaded compound lever arrangement. The scribing force and range of scribing depth are adjusted by a pair of adjustable micrometer heads. A semiconductor device, such as a multilayer solar cell, can be formed into scribed strips at each layer. 5 figs.

  11. Mechanical effects in cookoff modeling

    SciTech Connect (OSTI)

    Gross, R.J.; Baer, M.R.; Hobbs, M.L.

    1994-07-01

    Complete cookoff modeling of energetic material in confined geometries must couple thermal, chemical and mechanical effects. In the past, modeling has focused on the prediction of the onset of combustion behavior based only on thermal-chemistry effects with little or no regard to the mechanical behavior of the energetic material. In this paper, an analysis tool is outlined which couples thermal, chemical, and mechanical behavior for one-dimensional Geometries comprised of multi-materials. A reactive heat flow code, XCHEM, and a quasistatic mechanics code, SANTOS, have been completely coupled using, a reactive, elastic-plastic constitutive model describing pressurization of the energetic material. This new Thermally Reactive Elastic-plastic explosive code, TREX, was developed to assess the coupling, of mechanics with thermal chemistry making multidimensional cookoff analysis possible. In this study, TREX is applied to confined and unconfined systems. The confined systems simulate One-Dimensional Time to explosion (ODTX) experiments in both spherical and cylindrical configurations. The spherical ODTX system is a 1.27 cm diameter sphere of TATB confined by aluminum exposed to a constant external temperature. The cylindrical ODTX system is an aluminum tube filled with HMX, NC, and inert exposed to a constant temperature bath. Finally. an unconfined system consisting of a hollow steel cylinder filled with a propellant composed of Al, RMX, and NC, representative of a rocket motor, is considered. This model system is subjected to transient internal and external radiative/convective boundary conditions representative of 5 minutes exposure to a fire. The confined systems show significant pressure prior to ignition, and the unconfined system shows extrusion of the propellent suggesting that the energetic material becomes more shock sensitive.

  12. Career Map: Mechanical Engineer | Department of Energy

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

    Mechanical Engineer Career Map: Mechanical Engineer A mechanical engineer works with a large yellow robotic arm. Mechanical Engineer Position Title Mechanical Engineer Alternate Title(s) Project Engineer, Quality Engineer, Research Engineer, Design Engineer, Sales Engineer Education & Training Level Advanced, Bachelor's degree required, prefer graduate degree Education & Training Level Description Mechanical engineers need a bachelor's degree. A graduate degree is typically needed for

  13. NREL: Technology Transfer - Popular Mechanics: Scientists Break...

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

    Popular Mechanics: Scientists Break This Virtual Power Grid to Save the Real One July 27, 2015 Popular Mechanics describes how NREL's Energy Systems Integration Facility (ESIF)...

  14. Shaoxing Jinggong Mechanical and Electrical Research Institute...

    Open Energy Info (EERE)

    Shaoxing Jinggong Mechanical and Electrical Research Institute Company SJMERI Jump to: navigation, search Name: Shaoxing Jinggong Mechanical and Electrical Research Institute...

  15. Multiple Mechanisms of Uranium Immobilization by Cellulomonas...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Multiple Mechanisms of Uranium Immobilization by Cellulomonas sp. Strain ES6 Citation Details In-Document Search Title: Multiple Mechanisms of Uranium ...

  16. Excitation Energy Sorting Mechanisms in Fission (Conference)...

    Office of Scientific and Technical Information (OSTI)

    Excitation Energy Sorting Mechanisms in Fission Citation Details In-Document Search Title: Excitation Energy Sorting Mechanisms in Fission You are accessing a document from the...

  17. CONTROL OF MECHANICALLY ACTIVATED POLYMERSOME FUSION: FACTORS...

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

    Journal Article: CONTROL OF MECHANICALLY ACTIVATED POLYMERSOME FUSION: FACTORS AFFECTING FUSION. Citation Details In-Document Search Title: CONTROL OF MECHANICALLY ACTIVATED...

  18. Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Mechanism and Substrate Recognition of 2-Hydroxyethylphosphonate Dioxygenase Citation Details In-Document Search Title: Mechanism ...

  19. Sandia National Laboratories: Careers: Mechanical Engineering

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

    at Sandia Applied mechanics Modeling and simulation Conceptual and mechanical design definition Material selection and fabrication oversight Stress, dynamic, and thermal analysis...

  20. Validation of the dynamic recrystallization (DRX) mechanism for whisker and hillock growth on thin films

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

    Vianco, Paul T.; Neilsen, Michael K.; Rejent, Jerome A.; Grant, Richard P.

    2015-05-01

    Our study was performed to validate a first-principles model for whisker and hillock formation based on the cyclic dynamic recrystallization (DRX) mechanism in conjunction with long-range diffusion. The test specimens were evaporated Sn films on Si having thicknesses of 0.25 μm, 0.50 μm, 1.0 μm, 2.0 μm, and 4.9 μm. Air annealing was performed at 35°C, 60°C, 100°C, 120°C, or 150°C over a time duration of 9 days. The stresses, anelastic strains, and strain rates in the Sn films were predicted by a computational model based upon the constitutive properties of 95.5Sn-3.9Ag-0.6Cu (wt.%) as a surrogate for pure Sn. Themore » cyclic DRX mechanism and, in particular, whether long whiskers or hillocks were formed, was validated by comparing the empirical data against the three hierarchal requirements: (1) DRX to occur at all: εc = A D o m Z n , (2) DRX to be cyclic: D o < 2D r, and (3) Grain boundary pinning (thin films): h versus d. Continuous DRX took place in the 2.0-μm and 4.9-μm films that resulted in short stubby whiskers. Depleted zones, which resulted solely from a tensile stress-driven diffusion mechanism, confirmed the pervasiveness of long-range diffusion so that it did not control whisker or hillock formation other than a small loss of activity by reduced thermal activation at lower temperatures. Furthermore, a first-principles DRX model paves the way to develop like mitigation strategies against long whisker growth.« less

  1. Influence of liquid structure on diffusive isotope separation in molten silicates and aqueous solutions

    SciTech Connect (OSTI)

    Watkins, J.M.; DePaolo, D.J.; Ryerson, F.J.; Peterson, B.

    2011-03-01

    Molecular diffusion in natural volcanic liquids discriminates between isotopes of major ions (e.g., Fe, Mg, Ca, and Li). Although isotope separation by diffusion is expected on theoretical grounds, the dependence on mass is highly variable for different elements and in different media. Silicate liquid diffusion experiments using simple liquid compositions were carried out to further probe the compositional dependence of diffusive isotopic discrimination and its relationship to liquid structure. Two diffusion couples consisting of the mineral constituents anorthite (CaAl{sub 2}Si{sub 2}O{sub 8}; denoted AN), albite (NaAlSi{sub 3}O{sub 8}; denoted AB), and diopside (CaMgSi{sub 2}O{sub 6}; denoted DI) were held at 1450°C for 2 h and then quenched to ambient pressure and temperature. Major-element as well as Ca and Mg isotope profiles were measured on the recovered quenched glasses. In both experiments, Ca diffuses rapidly with respect to Si. In the AB–AN experiment, D{sub Ca}/D{sub Si} ~ 20 and the efficiency of isotope separation for Ca is much greater than in natural liquid experiments where D{sub Ca}/D{sub Si} ~ 1. In the AB–DI experiment, D{sub Ca}/D{sub Si} ~ 6 and the efficiency of isotope separation is between that of the natural liquid experiments and the AB–AN experiment. In the AB–DI experiment, D{sub Mg}/D{sub Si} ~ 1 and the efficiency of isotope separation for Mg is smaller than it is for Ca yet similar to that observed for Mg in natural liquids. The results from the experiments reported here, in combination with results from natural volcanic liquids, show clearly that the efficiency of diffusive separation of Ca isotopes is systematically related to the solvent-normalized diffusivity—the ratio of the diffusivity of the cation (D{sub Ca}) to the diffusivity of silicon (D{sub Si}). The results on Ca isotopes are consistent with available data on Fe, Li, and Mg isotopes in silicate liquids, when considered in terms of the parameter D{sub cation}/D{sub Si}. Cations diffusing in aqueous solutions display a similar relationship between isotopic separation efficiency and D{sub cation} =D{sub H 2 O} , although the efficiencies are smaller than in silicate liquids. Our empirical relationship provides a tool for predicting the magnitude of diffusive isotopic effects in many geologic environments and a basis for a more comprehensive theory of isotope separation in liquid solutions. We present a conceptual model for the relationship between diffusivity and liquid structure that is consistent with available data.

  2. Pore-Scale Simulation of Intragranular Diffusion: Effects of Incomplete Mixing on Macroscopic Manifestations

    SciTech Connect (OSTI)

    Scheibe, Timothy D.; Hou, Zhangshuan; Palmer, Bruce J.; Tartakovsky, Alexandre M.

    2013-07-01

    Diffusive mass transfer into and out of intragranular micropores ("intragranular diffusion") plays an important role in the large-scale transport of some groundwater contaminants. We are interested in understanding the combined effect of pore-scale advection and intragranular diffusion on solute transport at the effective porous medium scale. To study this problem, we have developed a three-dimensional pore-scale model of fluid flow and solute transport that incorporates diffusion into and out of intragranular pore spaces. Our model is based on the Smoothed Particle Hydrodynamics (SPH) simulation method, which represents fluid and solid phases by a mesh-free particle discretization. In the pore spaces, fluid flow is simulated by discretizing the Navier-Stokes equations using the SPH approach. Solute transport is represented by advection, diffusion within the fluid phase, and diffusion between the fluid and solid phases. Our model is implemented on large-scale parallel computing hardware, allowing us to simulate millions of computational particles and represent fully three-dimensional systems of pores and grains with arbitrarily complex physical geometry. We have used this model system to perform numerical experiments using various model porous media systems, which allows us to draw comparisons between macroscopic measures computed from the pore-scale simulations (such as breakthrough curves) and those predicted by macroscopic formulations that assume complete mixing over the representative volume. In this paper we present results of 3D simulations of pore-scale flow and transport, including cases with and without intragranular diffusion, in two model porous media, one with randomly-packed uniform spherical grains and a second with randomly-packed spheres drawn from a binary grain size distribution. Breakthrough curves were computed from the 3D simulations at various transport distances. Comparable breakthrough curves were computed using 1D macroscopic models with parameters determined independently to the degree possible. Based on comparisons of the pore-scale and macroscopic model results, we draw two primary conclusions. First, non-Fickian behavior is persistent and ubiquitous at the scales considered, and most cases are better represented by a multi-rate mass transfer model even when there is no distinct secondary porosity (i.e., no intragranular diffusion). This suggests that diffusive mass transfer processes between preferential flow paths and relatively immobile zones within the primary porosity may have significant impact on transport, particular in low-concentration tails. Second, the application of mass transfer rate parameters based on an assumption of well-mixed concentrations at the pore-scale tend to overestimate the amount of mass transfer that occurs in heterogeneous pore geometries in which preferential flow leads to incomplete pore-scale lateral mixing.

  3. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, A.R.

    1987-06-23

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator. 5 figs.

  4. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, Arnold R.

    1987-01-01

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer (11) at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer (11) to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator (10) to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator.

  5. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, Arnold R.

    1987-01-01

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer (11) at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer (11) to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator (10) to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing he evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator.

  6. Chemically assisted mechanical refrigeration process

    DOE Patents [OSTI]

    Vobach, A.R.

    1987-11-24

    There is provided a chemically assisted mechanical refrigeration process including the steps of: mechanically compressing a refrigerant stream which includes vaporized refrigerant; contacting the refrigerant with a solvent in a mixer at a pressure sufficient to promote substantial dissolving of the refrigerant in the solvent in the mixer to form a refrigerant-solvent solution while concurrently placing the solution in heat exchange relation with a working medium to transfer energy to the working medium, said refrigerant-solvent solution exhibiting a negative deviation from Raoult's Law; reducing the pressure over the refrigerant-solvent solution in an evaporator to allow the refrigerant to vaporize and substantially separate from the solvent while concurrently placing the evolving refrigerant-solvent solution in heat exchange relation with a working medium to remove energy from the working medium to thereby form a refrigerant stream and a solvent stream; and passing the solvent and refrigerant stream from the evaporator. 5 figs.

  7. Locking mechanism for indexing device

    DOE Patents [OSTI]

    Lindemeyer, Carl W. (Aurora, IL)

    1984-01-01

    Disclosed is a locking mechanism for an indexing spindle. A conventional r gear having outwardly extending teeth is affixed to the spindle. Also included is a rotatably mounted camshaft whose axis is arranged in skewed relationship with the axis of the spindle. A disk-like wedge having opposing camming surfaces is eccentrically mounted on the camshaft. As the camshaft is rotated, the camming surfaces of the disc-like member are interposed between adjacent gear teeth with a wiping action that wedges the disc-like member between the gear teeth. A zero backlash engagement between disc-like member and gear results, with the engagement having a high mechanical advantage so as to effectively lock the spindle against bidirectional rotation.

  8. ANALYSIS OF MAGNETOROTATIONAL INSTABILITY WITH THE EFFECT OF COSMIC-RAY DIFFUSION

    SciTech Connect (OSTI)

    Kuwabara, Takuhito; Ko, Chung-Ming E-mail: cmko@astro.ncu.edu.tw

    2015-01-10

    We present the results obtained from the linear stability analysis and 2.5 dimensional magnetohydrodynamic (MHD) simulations of magnetorotational instability (MRI), including the effects of cosmic rays (CRs). We took into account the CR diffusion along the magnetic field but neglected the cross-field-line diffusion. Two models are considered in this paper: the shearing box model and differentially rotating cylinder model. We studied how MRI is affected by the initial CR pressure (i.e., energy) distribution. In the shearing box model, the initial state is uniform distribution. Linear analysis shows that the growth rate of MRI does not depend on the value of the CR diffusion coefficient. In the differentially rotating cylinder model, the initial state is a constant angular momentum polytropic disk threaded by a weak uniform vertical magnetic field. Linear analysis shows that the growth rate of MRI becomes larger if the CR diffusion coefficient is larger. Both results are confirmed by MHD simulations. The MHD simulation results show that the outward movement of matter by the growth of MRI is not impeded by the CR pressure gradient, and the centrifugal force that acts on the concentrated matter becomes larger. Consequently, the growth rate of MRI is increased. On the other hand, if the initial CR pressure is uniform, then the growth rate of the MRI barely depends on the value of the CR diffusion coefficient.

  9. METHOD FOR REMOVAL OF LIGHT ISOTOPE PRODUCT FROM LIQUID THERMAL DIFFUSION UNITS

    DOE Patents [OSTI]

    Hoffman, J.D.; Ballou, J.K.

    1957-11-19

    A method and apparatus are described for removing the lighter isotope of a gaseous-liquid product from a number of diffusion columns of a liquid thermal diffusion system in two stages by the use of freeze valves. The subject liquid flows from the diffusion columns into a heated sloping capsule where the liquid is vaporized by the action of steam in a heated jacket surrounding the capsule. When the capsule is filled the gas flows into a collector. Flow between the various stages is controlled by freeze valves which are opened and closed by the passage of gas and cool water respectively through coils surrounding portions of the pipes through which the process liquid is passed. The use of the dual stage remover-collector and the freeze valves is an improvement on the thermal diffusion separation process whereby the fraction containing the lighter isotope many be removed from the tops of the diffusion columns without intercolumn flow, or prior stage flow while the contents of the capsule is removed to the final receiver.

  10. EFFECT OF IMPURITIES ON THE PERFORMANCE OF A Pd-Ag DIFFUSER

    SciTech Connect (OSTI)

    Morgan, G.

    2010-12-16

    A commercially fabricated diffuser purchased from Johnson-Matthey, Inc. was evaluated for performance characterization testing at the Savannah River National Laboratory (SRNL). Different impurities are often present in the feed streams of the process diffusers, but the effect of these impurities on the diffuser performance is currently unknown. Various impurities were introduced into the feed stream of the diffuser at various levels ranging from 0.5% to 10% of the total flow in order to determine the effect that these impurities have on the permeation of hydrogen through the palladium-silver membrane. The introduction of various impurities into the feed stream of the diffuser had a minimal effect on the overall permeation of hydrogen through the Pd-Ag membrane. Of the four impurities introduced into the feed stream, carbon monoxide (CO) was the only impurity that showed any evidence of causing a reduction in the amount of hydrogen permeating through the Pd-Ag membrane. The hydrogen permeation returned to its baseline level after the CO was removed from the feed stream. There were no lasting effects of the CO exposure on the ability of the membrane to effectively separate hydrogen from the non-hydrogen species in the gas stream under the conditions tested.

  11. Two-dimensional numerical simulation of boron diffusion for pyramidally textured silicon

    SciTech Connect (OSTI)

    Ma, Fa-Jun Duttagupta, Shubham; Shetty, Kishan Devappa; Meng, Lei; Hoex, Bram; Peters, Ian Marius; Samudra, Ganesh S.

    2014-11-14

    Multidimensional numerical simulation of boron diffusion is of great relevance for the improvement of industrial n-type crystalline silicon wafer solar cells. However, surface passivation of boron diffused area is typically studied in one dimension on planar lifetime samples. This approach neglects the effects of the solar cell pyramidal texture on the boron doping process and resulting doping profile. In this work, we present a theoretical study using a two-dimensional surface morphology for pyramidally textured samples. The boron diffusivity and segregation coefficient between oxide and silicon in simulation are determined by reproducing measured one-dimensional boron depth profiles prepared using different boron diffusion recipes on planar samples. The established parameters are subsequently used to simulate the boron diffusion process on textured samples. The simulated junction depth is found to agree quantitatively well with electron beam induced current measurements. Finally, chemical passivation on planar and textured samples is compared in device simulation. Particularly, a two-dimensional approach is adopted for textured samples to evaluate chemical passivation. The intrinsic emitter saturation current density, which is only related to Auger and radiative recombination, is also simulated for both planar and textured samples. The differences between planar and textured samples are discussed.

  12. Mechanical Engineering Department Technical Review

    SciTech Connect (OSTI)

    Carr, R.B.; Denney, R.M.

    1981-07-01

    The Mechanical Engineering Department Technical Review is published to inform readers of various technical activities within the Department, promote exchange of ideas, and give credit to personnel who are achieving the results. The report is presented in two parts: technical achievements and publication abstracts. The first is divided into seven sections, each of which reports on an engineering division and its specific activities related to nuclear tests, nuclear explosives, weapons, energy systems, engineering sciences, magnetic fusion, and materials fabrication.

  13. Unique Auxin Regulation Mechanism Discovered

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

    Unique Auxin Regulation Mechanism Discovered Print The plant hormone auxin regulates many plant growth and development processes, including shoot growth, root branching, fruit ripening, tropisms, and flowering. But how such a simple molecule elicits such a variety of cellular responses has been a mystery. An important breakthrough came in 2005, wh en a conserved plant protein known as TIR1 (part of a protein destruction machinery system) was identified as a receptor for auxin. Now, an

  14. Particle Suspension Mechanisms - Supplemental Material

    SciTech Connect (OSTI)

    Dillon, M B

    2011-03-03

    This supplemental material provides a brief introduction to particle suspension mechanisms that cause exfoliated skin cells to become and remain airborne. The material presented here provides additional context to the primary manuscript and serves as background for designing possible future studies to assess the impact of skin cells as a source of infectious aerosols. This introduction is not intended to be comprehensive and interested readers are encouraged to consult the references cited.

  15. Mechanical Engineering Department technical abstracts

    SciTech Connect (OSTI)

    Denney, R.M.

    1982-07-01

    The Mechanical Engineering Department publishes listings of technical abstracts twice a year to inform readers of the broad range of technical activities in the Department, and to promote an exchange of ideas. Details of the work covered by an abstract may be obtained by contacting the author(s). Overall information about current activities of each of the Department's seven divisions precedes the technical abstracts.

  16. Unique Auxin Regulation Mechanism Discovered

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

    Unique Auxin Regulation Mechanism Discovered Print The plant hormone auxin regulates many plant growth and development processes, including shoot growth, root branching, fruit ripening, tropisms, and flowering. But how such a simple molecule elicits such a variety of cellular responses has been a mystery. An important breakthrough came in 2005, wh en a conserved plant protein known as TIR1 (part of a protein destruction machinery system) was identified as a receptor for auxin. Now, an

  17. Unique Auxin Regulation Mechanism Discovered

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

    Unique Auxin Regulation Mechanism Discovered Print The plant hormone auxin regulates many plant growth and development processes, including shoot growth, root branching, fruit ripening, tropisms, and flowering. But how such a simple molecule elicits such a variety of cellular responses has been a mystery. An important breakthrough came in 2005, wh en a conserved plant protein known as TIR1 (part of a protein destruction machinery system) was identified as a receptor for auxin. Now, an

  18. Unique Auxin Regulation Mechanism Discovered

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

    Unique Auxin Regulation Mechanism Discovered Print The plant hormone auxin regulates many plant growth and development processes, including shoot growth, root branching, fruit ripening, tropisms, and flowering. But how such a simple molecule elicits such a variety of cellular responses has been a mystery. An important breakthrough came in 2005, wh en a conserved plant protein known as TIR1 (part of a protein destruction machinery system) was identified as a receptor for auxin. Now, an

  19. GUI for Structural Mechanics Codes

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

    Development of GUI for Structural Mechanics Codes The TRACC Cluster gives its users a lot of flexibility when it comes to requesting software version of LS-DYNA and computational resources for submitted jobs. To fully utilize that flexibility, users need to get familiar with on-line documentation of all the installed releases of different software and modules on the cluster. As on other LINUX based HPC systems, the submission and controlling of LS-DYNA is done through text commands. Especially

  20. Mechanical engineering department technical review

    SciTech Connect (OSTI)

    Carr, R.B. Denney, R.M.

    1981-01-01

    The Mechanical Engineering Department Technical Review is published to: (1) inform the readers of various technical activities within the department, (2) promote exchange of ideas, and (3) give credit to the personnel who are achieving the results. The report is formatted into two parts: technical acievements and publication abstracts. The first is divided into eight sections, one for each division in the department providing the reader with the names of the personnel and the division accomplishing the work.