National Library of Energy BETA

Sample records for dynamics beneath seafloor

  1. Temporal Characterization of Hydrates System Dynamics beneath Seafloor Mounds. Integrating Time-Lapse Electrical Resistivity Methods and In Situ Observations of Multiple Oceanographic Parameters

    SciTech Connect (OSTI)

    Lutken, Carol; Macelloni, Leonardo; D'Emidio, Marco; Dunbar, John; Higley, Paul

    2015-01-31

    This study was designed to investigate temporal variations in hydrate system dynamics by measuring changes in volumes of hydrate beneath hydrate-bearing mounds on the continental slope of the northern Gulf of Mexico, the landward extreme of hydrate occurrence in this region. Direct Current Resistivity (DCR) measurements were made contemporaneously with measurements of oceanographic parameters at Woolsey Mound, a carbonate-hydrate complex on the mid-continental slope, where formation and dissociation of hydrates are most vulnerable to variations in oceanographic parameters affected by climate change, and where changes in hydrate stability can readily translate to loss of seafloor stability, impacts to benthic ecosystems, and venting of greenhouse gases to the water-column, and eventually, the atmosphere. We focused our study on hydrate within seafloor mounds because the structurally-focused methane flux at these sites likely causes hydrate formation and dissociation processes to occur at higher rates than at sites where the methane flux is less concentrated and we wanted to maximize our chances of witnessing association/dissociation of hydrates. We selected a particularly well-studied hydrate-bearing seafloor mound near the landward extent of the hydrate stability zone, Woolsey Mound (MC118). This mid-slope site has been studied extensively and the project was able to leverage considerable resources from the team’s research experience at MC118. The site exhibits seafloor features associated with gas expulsion, hydrates have been documented at the seafloor, and changes in the outcropping hydrates have been documented, photographically, to have occurred over a period of months. We conducted observatory-based, in situ measurements to 1) characterize, geophysically, the sub-bottom distribution of hydrate and its temporal variability, and 2) contemporaneously record relevant environmental parameters (temperature, pressure, salinity, turbidity, bottom currents) to

  2. Aeromagnetic anomalies and discordant lineations beneath the Niger Delta: Implications for new fracture zones and multiple sea-floor spreading directions in the meso-Atlantic' Gulf of Guinea cul-de-sac

    SciTech Connect (OSTI)

    Babalola, O.O.; Gipson, M. Jr. )

    1991-06-01

    An aeromagnetic contour map compiled over shallow water and onshore portions of the Nigerian continental margin, shows several elongate, long-wavelength anomaly closures with some alternating polarity, separated by steep gradient, NE lineations. The lineations are interpreted as new fracture zones or extensions of previously mapped ones. The NE trend in the western delta region is concordant with the fracture zone trends of the deeper Gulf of Guinea. Aeromagnetic lineations of the SE Niger Delta Basin however, discordantly trend ENE. Their termination against the former, is interpreted as evidence of early sea-floor spreading in a ENE-WSW direction in addition to the well documented NE-SW spreading of the Gulf of Guinea and the rest of the meso-Atlantic sea-floor; The geophysical crustal structure indicate the existence of two Early Cretaceous triple junctions beneath the Niger Delta Basin. The two triple-junctions further support the hypothesis that the African continent was a multi-plate system (in the Niger Delta region) during the early opening of the Atlantic.

  3. Inferences On The Hydrothermal System Beneath The Resurgent Dome...

    Open Energy Information (Open El) [EERE & EIA]

    Inferences On The Hydrothermal System Beneath The Resurgent Dome In Long Valley Caldera, East-Central California, USA, From Recent Pumping Tests And Geochemical Sampling Jump to:...

  4. Evidence For Gas And Magmatic Sources Beneath The Yellowstone...

    Open Energy Information (Open El) [EERE & EIA]

    of magma beneath the Yellowstone caldera. Authors Stephan Husen, Robert B. Smith and Gregory P. Waite Published Journal Journal of Volcanology and Geothermal Research,...

  5. Anomalous shear wave attenuation in the shallow crust beneath...

    Open Energy Information (Open El) [EERE & EIA]

    volcanic region, California Jump to: navigation, search OpenEI Reference LibraryAdd to library Journal Article: Anomalous shear wave attenuation in the shallow crust beneath the...

  6. Recent seafloor metallogeneses: examples from the Atlantis II Deep, Red Sea and 21/sup 0/N East Pacific Rise

    SciTech Connect (OSTI)

    Zierenberg, R.A.

    1983-01-01

    Massive sulfide from 21/sup 0/N East Pacific Rise consists of pyrrhotite, cubic cubanite, wurtzite, chalcopyrite, pyrite, sphalerite, marcasite, and traces of galena. The samples show a complex paragenesis with extensive replacement and sulfur isotope disequilibrium. Sulfides in the Atlantis II Deep, Red Sea are very fine grained pyrrhotite, cubic cubanite, chalcopyrite, sphalerite, and pyrite which are interlayered with iron phyllosilicates. Epigenetic veins cutting unlithified metalliferous sediment in the Atlantis II are the conduits for the entry or new hot brine into the Deep. Vein mineralogy is dominated by talc and anhydrite with subordinate sulfides and phyllosilicates. Vertical zoning of vein minerals is related to cooling of hydrothermal fluid. Stable isotope ratios indicate depositional temperatures up to 300/sup 0/C. Stable isotope ratios also suggest that cooling of the hydrothermal fluid is caused by mixing with cooler brine having the approximate composition of the lower brine layer. Geochemical modeling of mixing successfully predicts the observed vertical zonation. The 21/sup 0/N East Pacific Rise deposit and the Atlantis II Deep have similar geochemical systems dominated by interaction with hot tholeiitic basalt. The differences in the deposits are related to their different depositional environments. The 21/sup 0/N East Pacific Rise deposit is forming directly on the seafloor in contact with cold oxygenated seawater, while the Atlantis II Deep deposit is forming beneath a warm, saline, anoxic brine pool.

  7. What lies beneath the Cerro Prieto geothermal field?

    SciTech Connect (OSTI)

    Elders, W.A.; Williams, A.E.; Biehler, S.

    1997-12-31

    Although the Cerro Prieto geothermal reservoir is one of the world`s largest geothermal developments, conflicting ideas persist about the basement beneath it. The current plan to drill a 6 km deep exploratory well in the eastern part of the field has brought this controversy into sharper focus. This paper discusses criteria which any model of what lies beneath the reservoir must meet, in terms of regional tectonics and geophysics, of the metamorphic and igneous rocks thus far encountered in drilling, and of models of possible heat sources and coupling between the hydrothermal and magmatic systems. Our analysis confirms the interpretation that the crystalline basement beneath the sediments, rather than being granitic, is oceanic in character, resembling an ophiolite complex. The heat source is most likely a cooling gabbroic intrusion, several kilometers in diameter, overlain by a sheeted dike swarm. A 6 km deep bore-hole centered over such an intrusion would not only be one of the world`s deepest geothermal wells but could also be one of the hottest.

  8. Google Earth locations of USA and seafloor hydrothermal vents with associated rare earth element data

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Andrew Fowler

    2016-02-10

    Google Earth .kmz files that contain the locations of geothermal wells and thermal springs in the USA, and seafloor hydrothermal vents that have associated rare earth element data. The file does not contain the actual data, the actual data is available through the GDR website in two tier 3 data sets entitled "Compilation of Rare Earth Element Analyses from US Geothermal Fields and Mid Ocean Ridge (MOR) Hydrothermal Vents" and "Rare earth element content of thermal fluids from Surprise Valley, California"

  9. Dynamic

    Office of Legacy Management (LM)

    Dynamic , and Static , Res.ponse of the Government Oil Shale Mine at ' , . , Rifle, Colorado, to the Rulison Event. , . ; . . DISCLAIMER Portions of this document may be illegible in electronic image products. Images are produced from the best available original document. p ( y c - - a 2-1 0 -4- REPORT AT (29-2) 914 USBM 1 0 0 1 UNITED STATES DEPARTMENT O F THE I NTERIOR BUREAU OF MINES e s.09 P. L. R U S S E L L RESEARCH D l RECTOR Februory 2, lB7O DYNAMIC AND STATIC RESPONSE 'OF THE GOVERNMENT

  10. Isotopic discontinuities in ground water beneath Yucca Mountain, Nevada

    SciTech Connect (OSTI)

    Stuckless, J.S.; Whelan, J.F.; Steinkampf, W.C.

    1991-05-01

    Analytical data for stable isotopes in ground water from beneath Yucca Mountain, when examined in map view, show areal patterns of heterogeneity that can be interpreted in terms of mixing of at least three end members. One end member must be isotopically heavy in terms of hydrogen and oxygen and have a young apparent {sup 14}C age such as water found at the north end of Yucca Mountain beneath Fortymile Wash. A second end member must contain isotopically heavy carbon and have an old apparent {sup 14}C age such as water from the Paleozoic aquifer. The third end member cannot be tightly defined. It must be isotopically lighter than the first with respect of hydrogen and oxygen and be intermediate to the first and second end members with respect to both apparent {sup 14}C age and {delta}{sup 13}C. The variable isotopic compositions of hydrogen and oxygen indicate that two of the end members are waters, but the variable carbon isotopic composition could represent either a third water end member or reaction of water with a carbon-bearing solids such as calcite. 15 refs., 4 figs., 1 tab.

  11. Analysis of pumping-induced unsaturated regions beneath aperennial river

    SciTech Connect (OSTI)

    Su, G.W.; Jasperse, J.; Seymour, D.; Constantz, J.; Zhou, Q.

    2007-05-15

    The presence of an unsaturated region beneath a streambedduring groundwater pumping near streams reduces the pumping capacity whenit reaches the well screens, changes flow paths, and alters the types ofbiological transformations in the streambed sediments. Athree-dimensional, multi-phase flow model of two horizontal collectorwells along the Russian River near Forestville, California was developedto investigate the impact of varying the ratio of the aquifer tostreambed permeability on (1) the formation of an unsaturated regionbeneath the stream, (2) the pumping capacity, (3) stream-water fluxesthrough the streambed, and (4) stream-water travel times to the collectorwells. The aquifer to streambed permeability ratio at which theunsaturated region was initially observed ranged from 10 to 100. The sizeof the unsaturated region beneath the streambed increased as the aquiferto streambed permeability ratio increased. The simulations also indicatedthat for a particular aquifer permeability, decreasing the streambedpermeability by only a factor of 2-3 from the permeability wheredesaturation initially occurred resulted in reducing the pumpingcapacity. In some cases, the stream-water fluxes increased as thestreambed permeability decreased. However, the stream water residencetimes increased and the fraction of stream water that reached that thewells decreased as the streambed permeability decreased, indicating thata higher streambed flux does not necessarily correlate to greaterrecharge of stream water around the wells.

  12. A Low-Velocity Zone in the Basement Beneath the Valles Caldera...

    Open Energy Information (Open El) [EERE & EIA]

    Zone in the Basement Beneath the Valles Caldera, New Mexico Abstract We present quantitative results of forward modeling applied to a suite of travel time delays observed...

  13. Sub-Seafloor Carbon Dioxide Storage Potential on the Juan de Fuca Plate, Western North America

    SciTech Connect (OSTI)

    Jerry Fairley; Robert Podgorney

    2012-11-01

    The Juan de Fuca plate, off the western coast of North America, has been suggested as a site for geological sequestration of waste carbon dioxide because of its many attractive characteristics (high permeability, large storage capacity, reactive rock types). Here we model CO2 injection into fractured basalts comprising the upper several hundred meters of the sub-seafloor basalt reservoir, overlain with low-permeability sediments and a large saline water column, to examine the feasibility of this reservoir for CO2 storage. Our simulations indicate that the sub-seafloor basalts of the Juan de Fuca plate may be an excellent CO2 storage candidate, as multiple trapping mechanisms (hydrodynamic, density inversions, and mineralization) act to keep the CO2 isolated from terrestrial environments. Questions remain about the lateral extent and connectivity of the high permeability basalts; however, the lack of wells or boreholes and thick sediment cover maximize storage potential while minimizing potential leakage pathways. Although promising, more study is needed to determine the economic viability of this option.

  14. Grenville foreland thrust belt hidden beneath the eastern US midcontinent

    SciTech Connect (OSTI)

    Hauser, E.C. (Cornell Univ., Ithaca, NY (United States))

    1993-01-01

    Grenville foreland thrust structures are observed beneath the eastern US midcontinent on COCORP (Consortium for Continental Reflection Profiling) line OH-1 and a short seismic line in southwest Ohio. These structures represent the first evidence for a significant Grenville foreland thrust belt preserved in eastern North America. On the COCORP lines, the structures include a thrust ramp anticline and an associated asymmetric syncline. The Grenville front tectonic zone appears to truncate these foreland structures, indicating a later, second phase expressed as a deeply penetrating, out-of-sequence thrust zone associated with the main uplift of the Grenville province on the east. A short, shallow seismic line in southwestern Ohio reveals an east-dipping sequence of prominently layered rocks that may lie above a footwall ramp to a deeper Grenville thrust fault. A drill hole into the less reflective top of this dipping sequence encountered unmetamorphosed sedimentary rocks like those increasingly reported from other drill holes in southwestern Ohio and adjacent states. Although possibly part of a late Precambrian (Keweenawan ) rift, these clastic sedimentary rocks may instead preserve evidence of a heretofore unrecognized Grenville foreland basin in eastern North America. Alternatively these Precambrian sedimentary rocks together with an underlying, but yet undrilled, strongly layered sequence may correlate with similarly layered rocks observed on COCORP and industrial seismic lines within the Middle Proterozoic granite-rhyolite province to the west in Indiana and Illinois and indicate that unmetamorphosed sedimentary material is an important constituent of the granite-rhyolite province. 25 refs., 6 figs.

  15. Layered rocks beneath the Phanerozoic platform of the US midcontinent

    SciTech Connect (OSTI)

    Hauser, E.C. (Cornell Univ., Ithaca, NY (United States))

    1991-03-01

    A thick sequence of layered rocks lies hidden beneath the Phanerozoic cover of the central US over large regions. A thick sequence of Precambrian layered rocks in imaged on the COCORP transect across southern Illinois and Indiana. The thickness of this layered sequence varies from 1-3 times the thickness of the overlying Phanerozoic section of the Illinois basin. The layered sequence is observed for close to 200 km in an east-west direction. Similar layered reflections are seen on the COCORP data from Hardeman Co., TX, and neighboring southwest Oklahoma. Both of these known occurrences lie within the region of the middle Proterozoic Granite/Rhyolite province of the US midcontinent, an area within which scattered wells to basement commonly encounter 1.3-1.5 Ga undeformed granite and/or compositionally similar rhyolite. Therefore, these layered assemblages may comprise a thick sequence of silicic volcanic and sedimentary rocks (perhaps also injected by mafic sills) between scattered volcanic-intrusive centers, such as exposed in the St. Francois Mountains of southeast Missouri. However, in places such as Illinois and Indiana, the near absence of deep wells leaves the possibility that the upper portion of these layered rocks may locally be of late Proterozoic or earliest Paleozoic age. The reprocessing of available industry data, analyzed in conjunction with the existing COCORP data, includes extended vibroseis correlation. These industry data are invaluable in the author's effort to expand the known distribution of these layered rocks (e.g., into north-central Illinois) and to map their structures.

  16. Continuous sea-floor spreading in Red Sea: an alternative interpretation of magnetic anomaly pattern

    SciTech Connect (OSTI)

    La Brecque, J.L.; Zitellini

    1985-04-01

    The magnetic anomaly pattern over the Red Sea can be modeled as a continuous system of sea-floor spreading from the early Miocene to the present by using a timevarying process filter. The half spreading rate is approximately 1 cm/yr (0.4 in./yr) since initial rifting. The parameters that determine the process filter and development of the transition zone are the intrusion parameter (a measure of the dispersion of feeder dikes or horizontal strain about the rift axis), a flow parameter (a measure of the average flow width), and the effusion parameter (a measure of the volcanic effusion and thickness of layer 2). The authors estimate the flow parameter to be 2.7km(1.7 mi) and the intrusion parameter to be 7.5km(4.7 mi) at early rifting. These values suggest that a wide distribution of axial dikes or horizontal strain is the dominant factor in forming the magnetic anomaly pattern. Reduction in the width of the intrusion parameter and the effusion rate as rifting proceeded resulted in focusing of the strain, thinning of layer 2, and formation of the Red Sea deeps. Their modeling suggests that phase 2, or the stratoid phase, began about the time of anomaly 5C or chron C5C approximately 16 Ma. This age is compatible with geologic estimates of the initial rifting at the late Oligocene to early Miocene (Coleman, 1974; Gass, 1977). The opening rate for Africa-Arabia plate motion has remained relatively constant since early rifting although the African margin appears to be accreting faster than the Arabian plate.

  17. Preliminary result of P-wave speed tomography beneath North Sumatera region

    SciTech Connect (OSTI)

    Jatnika, Jajat; Nugraha, Andri Dian; Wandono

    2015-04-24

    The structure of P-wave speed beneath the North Sumatra region was determined using P-wave arrival times compiled by MCGA from time periods of January 2009 to December 2012 combining with PASSCAL data for February to May 1995. In total, there are 2,246 local earthquake events with 10,666 P-wave phases from 63 stations seismic around the study area. Ray tracing to estimate travel time from source to receiver in this study by applying pseudo-bending method while the damped LSQR method was used for the tomographic inversion. Based on assessment of ray coverage, earthquakes and stations distribution, horizontal grid nodes was set up of 3030 km2 for inside the study area and 8080 km2 for outside the study area. The tomographic inversion results show low Vp anomaly beneath Toba caldera complex region and around the Sumatra Fault Zones (SFZ). These features are consistent with previous study. The low Vp anomaly beneath Toba caldera complex are observed around Mt. Pusuk Bukit at depths of 5?km down to 100?km. The interpretation is these anomalies may be associated with ascending hot materials from subduction processes at depths of 80?km down to 100?km. The obtained Vp structure from local tomography will give valuable information to enhance understanding of tectonic and volcanic in this study area.

  18. Analysis of Fracture in Cores from the Tuff Confining Unit beneath Yucca Flat, Nevada Test Site

    SciTech Connect (OSTI)

    Lance Prothro

    2008-03-01

    The role fractures play in the movement of groundwater through zeolitic tuffs that form the tuff confining unit (TCU) beneath Yucca Flat, Nevada Test Site, is poorly known. This is an important uncertainty, because beneath most of Yucca Flat the TCU lies between the sources of radionuclide contaminants produced by historic underground nuclear testing and the regional carbonate aquifer. To gain a better understanding of the role fractures play in the movement of groundwater and radionuclides through the TCU beneath Yucca Flat, a fracture analysis focusing on hydraulic properties was performed on conventional cores from four vertical exploratory holes in Area 7 of Yucca Flat that fully penetrate the TCU. The results of this study indicate that the TCU is poorly fractured. Fracture density for all fractures is 0.27 fractures per vertical meter of core. For open fractures, or those observed to have some aperture, the density is only 0.06 fractures per vertical meter of core. Open fractures are characterized by apertures ranging from 0.1 to 10 millimeter, and averaging 1.1 millimeter. Aperture typically occurs as small isolated openings along the fracture, accounting for only 10 percent of the fracture volume, the rest being completely healed by secondary minerals. Zeolite is the most common secondary mineral occurring in 48 percent of the fractures observed.

  19. Evidence for long-lived subduction of an ancient tectonic plate beneath the southern Indian Ocean

    DOE PAGES-Beta [OSTI]

    Simmons, N. A.; Myers, S. C.; Johannesson, G.; Matzel, E.; Grand, S. P.

    2015-11-14

    In this study, ancient subducted tectonic plates have been observed in past seismic images of the mantle beneath North America and Eurasia, and it is likely that other ancient slab structures have remained largely hidden, particularly in the seismic-data-limited regions beneath the vast oceans in the Southern Hemisphere. Here we present a new global tomographic image, which shows a slab-like structure beneath the southern Indian Ocean with coherency from the upper mantle to the core-mantle boundary region—a feature that has never been identified. We postulate that the structure is an ancient tectonic plate that sank into the mantle along anmore » extensive intraoceanic subduction zone that migrated southwestward across the ancient Tethys Ocean in the Mesozoic Era. Slab material still trapped in the transition zone is positioned near the edge of East Gondwana at 140 Ma suggesting that subduction terminated near the margin of the ancient continent prior to breakup and subsequent dispersal of its subcontinents.« less

  20. Evidence for long-lived subduction of an ancient tectonic plate beneath the southern Indian Ocean

    SciTech Connect (OSTI)

    Simmons, N. A.; Myers, S. C.; Johannesson, G.; Matzel, E.; Grand, S. P.

    2015-11-14

    In this study, ancient subducted tectonic plates have been observed in past seismic images of the mantle beneath North America and Eurasia, and it is likely that other ancient slab structures have remained largely hidden, particularly in the seismic-data-limited regions beneath the vast oceans in the Southern Hemisphere. Here we present a new global tomographic image, which shows a slab-like structure beneath the southern Indian Ocean with coherency from the upper mantle to the core-mantle boundary region—a feature that has never been identified. We postulate that the structure is an ancient tectonic plate that sank into the mantle along an extensive intraoceanic subduction zone that migrated southwestward across the ancient Tethys Ocean in the Mesozoic Era. Slab material still trapped in the transition zone is positioned near the edge of East Gondwana at 140 Ma suggesting that subduction terminated near the margin of the ancient continent prior to breakup and subsequent dispersal of its subcontinents.

  1. Technology Solutions Case Study: Capillary Break Beneath a Slab: Polyethylene Sheeting over Aggregate, Southwestern Pennsylvania

    SciTech Connect (OSTI)

    2014-07-01

    In this project, Building America team IBACOS worked with a builder of single- and multifamily homes in southwestern Pennsylvania (climate zone 5) to understand its methods of successfully using polyethylene sheeting over aggregate as a capillary break beneath the slab in new construction. This builder’s homes vary in terms of whether they have crawlspaces or basements. However, in both cases, the strategy protects the home from water intrusion via capillary action (e.g., water wicking into cracks and spaces in the slab), thereby helping to preserve the durability of the home.

  2. Stratified precambrian rocks (sedimentary?) beneath the midcontinent region of the US. Final technical report

    SciTech Connect (OSTI)

    Hauser, E.C.

    1993-02-01

    A thick sequence of layered rocks occurs beneath the Phanerozoic platform strata which blanket the US midcontinent. Observed on COCORP deep reflection data in southern Illinois and Indiana and in SW Oklahoma and adjacent Texas, this sequence is locally 1--3 times as thick as the overlying Paleozoic cover, but the origin of this sequence and its ultimate lateral extent are unknown. However, the occurrences of Precambrian layered rocks on both the COCORP profiles and reprocessed industry seismic reflection data from the region lie within regions of generally low amplitude and low frequency aeromagnetic anomaly, suggesting an even greater distribution. Unmetamorphosed Precambrian sedimentary rocks have been recovered from drill holes in southwest Ohio and adjacent northern Kentucky and southwesternmost Indiana. These Precambrian sedimentary rocks lie above and may be part of an underlying package of strongly layered rocks imaged on a short and shallow seismic profile in southwest Ohio. These Precambrian sedimentary rocks were originally viewed as part of a late Precambrian (Keweenawan?) rift; however, in light of Grenville foreland structures seen on the COCORP profile to the north in west central Ohio, these Precambrian strata may (1) be part of a heretofore unrecognized Grenville foreland basin, or (2) indicate that unmetamorphosed Precambrian sedimentary material may be an important constituent of the layered rocks observed on COCORP beneath southern Illinois and Indiana.

  3. Stratified precambrian rocks (sedimentary ) beneath the midcontinent region of the US

    SciTech Connect (OSTI)

    Hauser, E.C.

    1993-02-01

    A thick sequence of layered rocks occurs beneath the Phanerozoic platform strata which blanket the US midcontinent. Observed on COCORP deep reflection data in southern Illinois and Indiana and in SW Oklahoma and adjacent Texas, this sequence is locally 1--3 times as thick as the overlying Paleozoic cover, but the origin of this sequence and its ultimate lateral extent are unknown. However, the occurrences of Precambrian layered rocks on both the COCORP profiles and reprocessed industry seismic reflection data from the region lie within regions of generally low amplitude and low frequency aeromagnetic anomaly, suggesting an even greater distribution. Unmetamorphosed Precambrian sedimentary rocks have been recovered from drill holes in southwest Ohio and adjacent northern Kentucky and southwesternmost Indiana. These Precambrian sedimentary rocks lie above and may be part of an underlying package of strongly layered rocks imaged on a short and shallow seismic profile in southwest Ohio. These Precambrian sedimentary rocks were originally viewed as part of a late Precambrian (Keweenawan ) rift; however, in light of Grenville foreland structures seen on the COCORP profile to the north in west central Ohio, these Precambrian strata may (1) be part of a heretofore unrecognized Grenville foreland basin, or (2) indicate that unmetamorphosed Precambrian sedimentary material may be an important constituent of the layered rocks observed on COCORP beneath southern Illinois and Indiana.

  4. Preliminary results of characteristic seismic anisotropy beneath Sunda-Banda subduction-collision zone

    SciTech Connect (OSTI)

    Wiyono, Samsul H.; Nugraha, Andri Dian

    2015-04-24

    Determining of seismic anisotropy allowed us for understanding the deformation processes that occured in the past and present. In this study, we performed shear wave splitting to characterize seismic anisotropy beneath Sunda-Banda subduction-collision zone. For about 1,610 XKS waveforms from INATEWS-BMKG networks have been analyzed. From its measurements showed that fast polarization direction is consistent with trench-perpendicular orientation but several stations presented different orientation. We also compared between fast polarization direction with absolute plate motion in the no net rotation and hotspot frame. Its result showed that both absolute plate motion frame had strong correlation with fast polarization direction. Strong correlation between the fast polarization direction and the absolute plate motion can be interpreted as the possibility of dominant anisotropy is in the asthenosphere.

  5. A comprehensive analysis of contaminant transport in the vadose zone beneath tank SX-109

    SciTech Connect (OSTI)

    Ward, A.L.; Gee, G.W.; White, M.D.

    1997-02-01

    The Vadose Zone Characterization Project is currently investigating the subsurface distribution of gamma-emitting radionuclides in S and SX Waste Management Area (WMA-S-SX) located in the 200 West Area of the US Department of Energy`s Hanford Site in southeastern Washington State. Spectral-gamma logging of boreholes has detected elevated {sup 137}Cs concentrations as deep as 38 m, a depth considered excessive based on the assumed geochemistry of {sup 137}Cs in Hanford sediments. Routine groundwater sampling under the Resource Conservation and Recovery Act (RCRA) have also detected elevated levels of site-specific contaminants downgradient of WMA-S-SX. The objective of this report is to explore the processes controlling the migration of {sup 137}Cs, {sup 99}Tc, and NO{sub 3} through the vadose zone of WMA-S-SX, particularly beneath tank SX-109.

  6. Deep crustal sediment study: Widespread precambrian layered rocks (sedimentary ?) beneath the US midcontinent

    SciTech Connect (OSTI)

    Hauser, E.C. [Cornell Univ., Ithaca, NY (United States)

    1992-05-01

    A thick sequence of layered rocks occurs beneath the Phanerozoic platform strata which blanket the U.S. midcontinent. Observed on COCORP deep reflection data in southern Illinois and Indiana and in SW Oklahoma and adjacent Texas, this sequence is locally 1-3 times as thick as the overlying Paleozoic cover, but the origin of this sequence, its ultimate lateral extent, and resource potential are unknown. The objective of this project is to seek and reprocess seismic reflection data provided by industry from the U.S. midcontinent, and together with the COCORP deep reflection data and information from the scattered basement-penetrating drill holes, to begin to constrain the distribution, origin and evolution of this enigmatic layered sequence, particularly to evaluate if sedimentary material may be an important constituent (i.e., deep gas potential).

  7. Deep crustal sediment study: Widespread Precambrian layered rocks (Sedimentary ) beneath the US midcontinent

    SciTech Connect (OSTI)

    Hauser, E.C.

    1992-01-01

    A thick sequence of layered rocks occurs beneath the Phanerozoic platform strata which blanket the US midcontinent. Observed on COCORP deep reflection data in southern Illinois and Indiana and in SW Oklahoma and adjacent Texas, this sequence is locally 1--3 times as thick as the overlying Paleozoic cover, but the origin of this sequence, its ultimate lateral extent, and resource potential are unknown. The objective of this project is to seek and reprocess seismic reflection data provided by industry from the US midcontinent and together with the COCORP deep reflection data and information from the scattered basement-penetrating drill holes, to begin to constrain the distribution, origin and evolution of this enigmatic layered sequence, particularly to evaluate if sedimentary material may be an important constituent (i.e., deep gas potential).

  8. Deep crustal sediment study: Widespread Precambrian layered rocks (Sedimentary ?) beneath the US midcontinent

    SciTech Connect (OSTI)

    Hauser, E.C.

    1992-06-01

    A thick sequence of layered rocks occurs beneath the Phanerozoic platform strata which blanket the US midcontinent. Observed on COCORP deep reflection data in southern Illinois and Indiana and in SW Oklahoma and adjacent Texas, this sequence is locally 1--3 times as thick as the overlying Paleozoic cover, but the origin of this sequence, its ultimate lateral extent, and resource potential are unknown. The objective of this project is to seek and reprocess seismic reflection data provided by industry from the US midcontinent and together with the COCORP deep reflection data and information from the scattered basement-penetrating drill holes, to begin to constrain the distribution, origin and evolution of this enigmatic layered sequence, particularly to evaluate if sedimentary material may be an important constituent (i.e., deep gas potential).

  9. Capillary Break Beneath a Slab: Polyethylene Sheeting over Aggregate, Southwestern Pennsylvania (Fact Sheet), Building America Case Study: Technology Solutions for New and Existing Homes, Building Technologies Office (BTO)

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Capillary Break Beneath a Slab: Polyethylene Sheeting Over Aggregate Southwestern Pennsylvania PROJECT INFORMATION Project Name: Capillary Break Beneath a Slab: Polyethylene Sheeting Over Aggregate Location: Southwestern PA Type: Residential Partners: Builder is confidential Building America Team: IBACOS, www.ibacos.com Building Component: Foundation, water management Application: New construction; single- and multifamily homes Year Tested: 2013 Applicable Climate Zone(s): All except dry

  10. Pressure fluctuations beneath instability wavepackets and turbulent spots in a hypersonic boundary layer

    DOE PAGES-Beta [OSTI]

    Casper, Katya M.; Beresh, Steven J.; Schneider, Steven P.

    2014-09-09

    To investigate the pressure-fluctuation field beneath turbulent spots in a hypersonic boundary layer, a study was conducted on the nozzle wall of the Boeing/AFOSR Mach-6 Quiet Tunnel. Controlled disturbances were created by pulsed-glow perturbations based on the electrical breakdown of air. Under quiet-flow conditions, the nozzle-wall boundary layer remains laminar and grows very thick over the long nozzle length. This allows the development of large disturbances that can be well-resolved with high-frequency pressure transducers. A disturbance first grows into a second-mode instability wavepacket that is concentrated near its own centreline. Weaker disturbances are seen spreading from the centre. The wavesmore » grow and become nonlinear before breaking down to turbulence. The breakdown begins in the core of the packets where the wave amplitudes are largest. Second-mode waves are still evident in front of and behind the breakdown point and can be seen propagating in the spanwise direction. The turbulent core grows downstream, resulting in a spot with a classical arrowhead shape. Behind the spot, a low-pressure calmed region develops. However, the spot is not merely a localized patch of turbulence; instability waves remain an integral part. Limited measurements of naturally occurring disturbances show many similar characteristics. From the controlled disturbance measurements, the convection velocity, spanwise spreading angle, and typical pressure-fluctuation field were obtained.« less

  11. Pressure fluctuations beneath instability wavepackets and turbulent spots in a hypersonic boundary layer

    SciTech Connect (OSTI)

    Casper, Katya M.; Beresh, Steven J.; Schneider, Steven P.

    2014-09-09

    To investigate the pressure-fluctuation field beneath turbulent spots in a hypersonic boundary layer, a study was conducted on the nozzle wall of the Boeing/AFOSR Mach-6 Quiet Tunnel. Controlled disturbances were created by pulsed-glow perturbations based on the electrical breakdown of air. Under quiet-flow conditions, the nozzle-wall boundary layer remains laminar and grows very thick over the long nozzle length. This allows the development of large disturbances that can be well-resolved with high-frequency pressure transducers. A disturbance first grows into a second-mode instability wavepacket that is concentrated near its own centreline. Weaker disturbances are seen spreading from the centre. The waves grow and become nonlinear before breaking down to turbulence. The breakdown begins in the core of the packets where the wave amplitudes are largest. Second-mode waves are still evident in front of and behind the breakdown point and can be seen propagating in the spanwise direction. The turbulent core grows downstream, resulting in a spot with a classical arrowhead shape. Behind the spot, a low-pressure calmed region develops. However, the spot is not merely a localized patch of turbulence; instability waves remain an integral part. Limited measurements of naturally occurring disturbances show many similar characteristics. From the controlled disturbance measurements, the convection velocity, spanwise spreading angle, and typical pressure-fluctuation field were obtained.

  12. Phase structure within a fracture network beneath a surface pond: Field experiment

    SciTech Connect (OSTI)

    GLASS JR.,ROBERT J.; NICHOLL,M.J.

    2000-05-09

    The authors performed a simple experiment to elucidate phase structure within a pervasively fractured welded tuff. Dyed water was infiltrated from a surface pond over a 36 minute period while a geophysical array monitored the wetted region within vertical planes directly beneath. They then excavated the rock mass to a depth of {approximately}5 m and mapped the fracture network and extent of dye staining in a series of horizontal pavements. Near the pond the network was fully stained. Below, the phase structure immediately expanded and with depth, the structure became fragmented and complicated exhibiting evidence of preferential flow, fingers, irregular wetting patterns, and varied behavior at fracture intersections. Limited transient geophysical data suggested that strong vertical pathways form first followed by increased horizontal expansion and connection within the network. These rapid pathways are also the first to drain. Estimates also suggest that the excavation captured from {approximately}10% to 1% or less of the volume of rock interrogated by the infiltration slug and thus the penetration depth could have been quite large.

  13. Distribution of radionuclides and water in Bandelier Tuff beneath a former Los Alamos liquid waste disposal site after 33 years

    SciTech Connect (OSTI)

    Nyhan, J.W.; Drennon, B.J.; Abeele, W.V.; Trujillo, G.; Herrera, W.J.; Wheeler, M.L.; Booth, J.W.; Purtymun, W.D.

    1984-07-01

    The distribution of radionuclides and water in Bandelier Tuff beneath a former liquid waste disposal site at Los Alamos was investigated. The waste use history of the site was described, as well as several pertinent laboratory and field studies of water and radionuclide migration in Bandelier Tuff. The distribution of plutonium, /sup 241/Am, and water was determined in a set of about 800 tuff samples collected to sampling depths of 30 m beneath two absorption beds. These data were then related to site geohydrologic data. Water and radionuclide concentrations found after 33 years were compared with the results of similar studies previously performed at this site, and the implications of these comparisons are discussed relative to nuclear waste management. 19 references, 6 figures, 4 tables.

  14. Data Package for Past and Current Groundwater Flow and Contamination beneath Single-Shell Tank Waste Management Areas

    SciTech Connect (OSTI)

    Horton, Duane G.

    2007-03-16

    This appendix summarizes historic and recent groundwater data collected from the uppermost aquifer beneath the 200 East and 200 West Areas. Although the area of interest is the Hanford Site Central Plateau, most of the information discussed in this appendix is at the scale of individual single-shell tank waste management areas. This is because the geologic, and thus the hydraulic, properties and the geochemical properties (i.e., groundwater composition) are different in different parts of the Central Plateau.

  15. Crustal structure beneath two seismic stations in the Sunda-Banda arc transition zone derived from receiver function analysis

    SciTech Connect (OSTI)

    Syuhada; Hananto, Nugroho D.; Handayani, Lina; Puspito, Nanang T; Yudistira, Tedi; Anggono, Titi

    2015-04-24

    We analyzed receiver functions to estimate the crustal thickness and velocity structure beneath two stations of Geofon (GE) network in the Sunda-Banda arc transition zone. The stations are located in two different tectonic regimes: Sumbawa Island (station PLAI) and Timor Island (station SOEI) representing the oceanic and continental characters, respectively. We analyzed teleseismic events of 80 earthquakes to calculate the receiver functions using the time-domain iterative deconvolution technique. We employed 2D grid search (H-κ) algorithm based on the Moho interaction phases to estimate crustal thickness and Vp/Vs ratio. We also derived the S-wave velocity variation with depth beneath both stations by inverting the receiver functions. We obtained that beneath station PLAI the crustal thickness is about 27.8 km with Vp/Vs ratio 2.01. As station SOEI is covered by very thick low-velocity sediment causing unstable solution for the inversion, we modified the initial velocity model by adding the sediment thickness estimated using high frequency content of receiver functions in H-κ stacking process. We obtained the crustal thickness is about 37 km with VP/Vs ratio 2.2 beneath station SOEI. We suggest that the high Vp/Vs in station PLAI may indicate the presence of fluid ascending from the subducted plate to the volcanic arc, whereas the high Vp/Vs in station SOEI could be due to the presence of sediment and rich mafic composition in the upper crust and possibly related to the serpentinization process in the lower crust. We also suggest that the difference in velocity models and crustal thicknesses between stations PLAI and SOEI are consistent with their contrasting tectonic environments.

  16. Review and model-based analysis of factors influencing soil carbon sequestration beneath switchgrass (Panicum virgatum)

    SciTech Connect (OSTI)

    Garten Jr, Charles T [ORNL

    2012-01-01

    Abstract. A simple, multi-compartment model was developed to predict soil carbon sequestration beneath switchgrass (Panicum virgatum) plantations in the southeastern United States. Soil carbon sequestration is an important component of sustainable switchgrass production for bioenergy because soil organic matter promotes water retention, nutrient supply, and soil properties that minimize erosion. A literature review was included for the purpose of model parameterization and five model-based experiments were conducted to predict how changes in environment (temperature) or crop management (cultivar, fertilization, and harvest efficiency) might affect soil carbon storage and nitrogen losses. Predictions of soil carbon sequestration were most sensitive to changes in annual biomass production, the ratio of belowground to aboveground biomass production, and temperature. Predictions of ecosystem nitrogen loss were most sensitive to changes in annual biomass production, the soil C/N ratio, and nitrogen remobilization efficiency (i.e., nitrogen cycling within the plant). Model-based experiments indicated that 1) soil carbon sequestration can be highly site specific depending on initial soil carbon stocks, temperature, and the amount of annual nitrogen fertilization, 2) response curves describing switchgrass yield as a function of annual nitrogen fertilization were important to model predictions, 3) plant improvements leading to greater belowground partitioning of biomass could increase soil carbon sequestration, 4) improvements in harvest efficiency have no indicated effects on soil carbon and nitrogen, but improve cumulative biomass yield, and 5) plant improvements that reduce organic matter decomposition rates could also increase soil carbon sequestration, even though the latter may not be consistent with desired improvements in plant tissue chemistry to maximize yields of cellulosic ethanol.

  17. REACTIVE MULTIPHASE BEHAVIOR OF CO2 IN SALINE AQUIFERS BENEATH THE COLORADO PLATEAU

    SciTech Connect (OSTI)

    R.G. Allis; J. Moore; S. White

    2003-01-30

    Gas reservoirs developed within the Colorado Plateau and Southern Rocky Mountains region are natural laboratories for studying the factors that promote long-term storage of CO{sub 2}. They also provide sites for storing additional CO{sub 2} if it can be separated from the flue gases of coal-fired power plants in this part of the U.S.A. These natural reservoirs are developed primarily in sandstones and dolomites; shales, mudstones and anhydrite form seals. In many fields, stacked reservoirs are present, indicating that the gas has migrated up through the section. There are also geologically young travertine deposits at the surface, and CO{sub 2}-charged groundwater and springs in the vicinity of known CO{sub 2} occurrences. These near-surface geological and hydrological features also provide examples of the environmental effects of leakage of CO{sub 2} from reservoirs, and justify further study. During reporting period covered here (the first quarter of Year 3 of the project, i.e. October 1-December 31, 2002), the main achievements were: (1) Planning workshop for project participants as well as other Utah researchers involved in CO{sub 2} projects (22 October, 2002), and Utah Geological Survey, Salt Lake City; (2) Presentation of paper to special CO{sub 2} sequestration session at the Geological Society of America Annual Meeting, Denver, 29 October, 2002; (3) Presentation of paper to special CO{sub 2} sequestration session at the Fall Meeting of American Geophysical Union, San Francisco, 10 December, 2002; (4) Identification of dawsonite (sodium-aluminum carbonate) as a late stage mineral deposited in CO{sub 2} feedzone at Springerville, Arizona; (5) Successful matching of known physical constraints to flow beneath the Hunter cross section being used to simulate the effects of CO{sub 2} injection. In about 1000 years, most injected CO{sub 2} may be lost to the surface from the three shallowest reservoirs considered, assuming no reactive processes; and (6) Inclusion

  18. Structure of the Crust beneath Cameroon, West Africa, from the Joint Inversion of Rayleigh Wave Group Velocities and Receiver Functions

    SciTech Connect (OSTI)

    Tokam, A K; Tabod, C T; Nyblade, A A; Julia, J; Wiens, D A; Pasyanos, M E

    2010-02-18

    The Cameroon Volcanic Line (CVL) is a major geologic feature that cuts across Cameroon from the south west to the north east. It is a unique volcanic lineament which has both an oceanic and a continental sector and consists of a chain of Tertiary to Recent, generally alkaline volcanoes stretching from the Atlantic island of Pagalu to the interior of the African continent. The oceanic sector includes the islands of Bioko (formerly Fernando Po) and Sao Tome and Principe while the continental sector includes the Etinde, Cameroon, Manengouba, Bamboutos, Oku and Mandara mountains, as well as the Adamawa and Biu Plateaus. In addition to the CVL, three other major tectonic features characterize the region: the Benue Trough located northwest of the CVL, the Central African Shear Zone (CASZ), trending N70 degrees E, roughly parallel to the CVL, and the Congo Craton in southern Cameroon. The origin of the CVL is still the subject of considerable debate, with both plume and non-plume models invoked by many authors (e.g., Deruelle et al., 2007; Ngako et al, 2006; Ritsema and Allen, 2003; Burke, 2001; Ebinger and Sleep, 1998; Lee et al, 1994; Dorbath et al., 1986; Fairhead and Binks, 1991; King and Ritsema, 2000; Reusch et al., 2010). Crustal structure beneath Cameroon has been investigated previously using active (Stuart et al, 1985) and passive (Dorbath et al., 1986; Tabod, 1991; Tabod et al, 1992; Plomerova et al, 1993) source seismic data, revealing a crust about 33 km thick at the south-western end of the continental portion of the CVL (Tabod, 1991) and the Adamawa Plateau, and thinner crust (23 km thick) beneath the Garoua Rift in the north (Stuart et al, 1985) (Figure 1). Estimates of crustal thickness obtained using gravity data show similar variations between the Garoua rift, Adamawa Plateau, and southern part of the CVL (Poudjom et al., 1995; Nnange et al., 2000). In this study, we investigate further crustal structure beneath the CVL and the adjacent regions in

  19. A Serendipitous, Long-Term Infiltration Experiment: Water and Tritium Circulation Beneath the CAMBRIC Ditch at the Nevada Test Site

    SciTech Connect (OSTI)

    Maxwell, R M; Tompson, A B; Kollet, S J

    2008-11-20

    Underground nuclear weapons testing at the Nevada Test Site introduced numerous radionuclides that may be used to characterize subsurface hydrologic transport processes in arid climates. A sixteen year pumping experiment designed to examine radionuclide migration away from the CAMBRIC nuclear test, conducted in groundwater beneath Frenchman Flat in 1965, gave rise to an unintended second experiment involving radionuclide infiltration through the vadose zone, as induced by seepage of pumping effluents beneath an unlined discharge trench. The combined experiments have been reanalyzed using a detailed, three-dimensional numerical model of transient, variably saturated flow and mass transport, tailored specifically for large scale and efficient calculations. Simulations have been used to estimate radionuclide travel and residence times in various parts of the system for comparison with observations in wells. Model predictions of mass transport were able to clearly demonstrate radionuclide recycling behavior between the ditch and pumping well previously suggested by isotopic age dating information; match travel time estimates for radionuclides moving between the ditch, the water table, and monitoring wells; and provide more realistic ways in which to interpret the pumping well elution curves. Collectively, the results illustrate the utility of integrating detailed numerical modeling with diverse observational data in developing accurate interpretations and forecasts of contaminant migration processes.

  20. P-SV conversions at a shallow boundary beneath Campi Flegrei caldera (Italy) - evidence for the magma chamber

    SciTech Connect (OSTI)

    Ferrucci, F.; Hirn, A.; De Natale, G.; Virieux, J.; Mirabile, L. Inst. de Physique du Globe, Paris Osservatorio Vesuviano, Naples CNRS, Inst. de Geodynamique, Valbonne Ist. Universitario Navale, Naples )

    1992-10-01

    Seismograms from an active seismic experiment carried out at Campi Flegrei caldera (near Naples, Italy), show a large-amplitude SV-polarized shear wave, following by less than 1.5-s P waves reflected at wide angle from a deep crustal interface. Early arriving SV-polarized waves, with the same delay to direct P waves, are also observed in seismograms from a regional 280 km-deep, magnitude 5.1 earthquake. Such short delays of S to P waves are consistent with a P-SV conversion on transmission occurring at a shallow boundary beneath the receivers. The large amplitude of the converted-SV phase, along with that the P waves are near vertical, requires a boundary separating a very low rigidity layer from the upper caldera fill. The converted phases are interpreted as a seismic marker of a magma chamber. The top of this magma chamber is located slightly deeper than the deepest earthquakes observed during the 1982-1984 unrest of Campi Flegrei. 8 refs.

  1. Multiple plates subducting beneath Colombia, as illuminated by seismicity and velocity from the joint inversion of seismic and gravity data

    DOE PAGES-Beta [OSTI]

    Syracuse, Ellen M.; Maceira, Monica; Prieto, German A.; Zhang, Haijiang; Ammon, Charles J.

    2016-06-15

    Subduction beneath the northernmost Andes in Colombia is complex. Based on seismicity distributions, multiple segments of slab appear to be subducting, and arc volcanism ceases north of 5° N. Here, we illuminate the subduction system through hypocentral relocations and Vp and Vs models resulting from the joint inversion of local body wave arrivals, surface wave dispersion measurements, and gravity data. The simultaneous use of multiple data types takes advantage of the differing sensitivities of each data type, resulting in velocity models that have improved resolution at both shallower and deeper depths than would result from traditional travel time tomography alone.more » The relocated earthquake dataset and velocity model clearly indicate a tear in the Nazca slab at 5° N, corresponding to a 250-km shift in slab seismicity and the termination of arc volcanism. North of this tear, the slab is flat, and it comprises slabs of two sources: the Nazca and Caribbean plates. The Bucaramanga nest, a small region of among the most intense intermediate-depth seismicity globally, is associated with the boundary between these two plates and possibly with a zone of melting or elevated water content, based on reduced Vp and increased Vp/Vs. As a result, we also use relocated seismicity to identify two new faults in the South American plate, one related to plate convergence and one highlighted by induced seismicity.« less

  2. Airflow-terrain interactions through a mountain gap, with an example of eolian activity beneath an atmospheric hydraulic jump

    SciTech Connect (OSTI)

    Gaylord, D.R.; Dawson, P.J.

    1987-09-01

    The integration of atmospheric soundings from a fully instrumented aircraft with detailed sedimentary and geomorphic analyses of eolian features in the Ferris dune field of south-central Wyoming lends insight into the manner in which topography interacts with airflow to modify eolian activity. Topographically modified airflow results in zones of airflow deceleration, acceleration, and enhanced atmospheric turbulence, all of which influence the surface morphology and sedimentology. Extreme lateral confluence of prevailing airflow produces accelerated, unidirectional winds. These winds correlate with unusually continuous and elongate parabolic dunes that extend into a mountain gap (Windy Gap). Persistently heightened winds produced at the entrance to Windy Gap have resulted in a concentration of active sand dunes that lack slipfaces. Common development of a strongly amplified atmospheric wave analogous to a hydraulic jump in the gap contributes to the formation of a variety of eolian features that mantle the surface of Windy Gap and the Ferris dune field tail. Heightened, unidirectional winds in this zone promote grain-size segregation, the formation of elongated and aligned sand drifts, climbing and falling dunes, elongate scour streaks, and parabolic dunes that have low-angle (< 20/sup 0/) cross-stratification. Deflation of bedrock and loose sediment has been enhanced in the zone of maximum turbulence beneath the hydraulic jump.

  3. Baseline Mapping Study of the Steed Pond Aquifer and Crouch Branch Confining Unit Beneath A/M Area, Savannah River Site, Aiken, South Carolina

    SciTech Connect (OSTI)

    JACKSON, DENNISG.

    1998-09-01

    This report presents the results of a baseline mapping project conducted for the Environmental Restoration Department at Savannah River Site. The purpose of this report is to map the distribution of mud (clay and silt-sized material) within each hydrogeologic unit from the surface down to the top of the Crouch Branch aquifer beneath the A/M Area. The distribution of mud layers and variations in the percentage of clay and silt within the strata is extremely important in order to fully characterize the extent of DNAPL beneath the A/M Area and determine the geometry of the contaminant plumes emanating from them. Precision mapping of these layers can aid in locating areas where contamination is most likely to have migrated into the saturated zone. In addition, this information can be used to refine the current remediation systems or assist in designing new remedial systems.

  4. Real-Space Microscopic Electrical Imaging of n+-p Junction Beneath Front-Side Ag Contact of Multicrystalline Si Solar Cells

    SciTech Connect (OSTI)

    Jiang, C. S.; Li, Z. G.; Moutinho, H. R.; Liang, L.; Ionkin, A.; Al-Jassim, M. M.

    2012-04-15

    We investigated the quality of the n+-p diffused junction beneath the front-side Ag contact of multicrystalline Si solar cells by characterizing the uniformities of electrostatic potential and doping concentration across the junction using the atomic force microscopy-based electrical imaging techniques of scanning Kelvin probe force microscopy and scanning capacitance microscopy. We found that Ag screen-printing metallization fired at the over-fire temperature significantly degrades the junction uniformity beneath the Ag contact grid, whereas metallization at the optimal- and under-fire temperatures does not cause degradation. Ag crystallites with widely distributed sizes were found at the Ag-grid/emitter-Si interface of the over-fired cell, which is associated with the junction damage beneath the Ag grid. Large crystallites protrude into Si deeper than the junction depth. However, the junction was not broken down; instead, it was reformed on the entire front of the crystallite/Si interface. We propose a mechanism of junction-quality degradation, based on emitter Si melting at the temperature around the Ag-Si eutectic point during firing, and subsequent re-crystallization with incorporation of Ag and other impurities and with formation of crystallographic defects during quenching. The effect of this junction damage on solar cell performance is discussed.

  5. Combining Multicomponent Seismic Attributes, New Rock Physics Models, and In Situ Data to Estimate Gas-Hydrate Concentrations in Deep-Water, Near-Seafloor Strata of the Gulf of Mexico

    SciTech Connect (OSTI)

    Bureau of Economic Geology

    2009-04-30

    The Bureau of Economic Geology was contracted to develop technologies that demonstrate the value of multicomponent seismic technology for evaluating deep-water hydrates across the Green Canyon area of the Gulf of Mexico. This report describes the methodologies that were developed to create compressional (P-P) and converted-shear (P-SV) images of near-seafloor geology from four-component ocean-bottom-cable (4C OBC) seismic data and the procedures used to integrate P-P and P-SV seismic attributes with borehole calibration data to estimate hydrate concentration across two study areas spanning 16 and 25 lease blocks (or 144 and 225 square miles), respectively. Approximately 200 km of two-dimensional 4C OBC profiles were processed and analyzed over the course of the 3-year project. The strategies we developed to image near-seafloor geology with 4C OBC data are unique, and the paper describing our methodology was peer-recognized with a Best Paper Award by the Society of Exploration Geophysicists in the first year of the project (2006). Among the valuable research findings demonstrated in this report, the demonstrated ability to image deep-water near-seafloor geology with sub-meter resolution using a standard-frequency (10-200 Hz) air gun array on the sea surface and 4C sensors on the seafloor has been the accomplishment that has received the most accolades from professional peers. Our study found that hydrate is pervasive across the two study areas that were analyzed but exists at low concentrations. Although our joint inversion technique showed that in some limited areas, and in some geologic units across those small areas, hydrates occupied up to 40-percent of the sediment pore space, we found that when hydrate was present, hydrate concentration tended to occupy only 10-percent to 20-percent of the pore volume. We also found that hydrate concentration tended to be greater near the base of the hydrate stability zone than it was within the central part of the stability

  6. Modeling magnetic fields from a DC power cable buried beneath San Francisco Bay based on empirical measurements

    DOE PAGES-Beta [OSTI]

    Kavet, Robert; Wyman, Megan T.; Klimley, A. Peter; Carretero, Luis

    2016-02-25

    Here, the Trans Bay Cable (TBC) is a ±200-kilovolt (kV), 400 MW 85-km long High Voltage Direct Current (DC) buried transmission line linking Pittsburg, CA with San Francisco, CA (SF) beneath the San Francisco Estuary. The TBC runs parallel to the migratory route of various marine species, including green sturgeon, Chinook salmon, and steelhead trout. In July and August 2014, an extensive series of magnetic field measurements were taken using a pair of submerged Geometrics magnetometers towed behind a survey vessel in four locations in the San Francisco estuary along profiles that cross the cable’s path; these included the Sanmore » Francisco-Oakland Bay Bridge (BB), the Richmond-San Rafael Bridge (RSR), the Benicia- Martinez Bridge (Ben) and an area in San Pablo Bay (SP) in which a bridge is not present. In this paper, we apply basic formulas that ideally describe the magnetic field from a DC cable summed vectorially with the background geomagnetic field (in the absence of other sources that would perturb the ambient field) to derive characteristics of the cable that are otherwise not immediately observable. Magnetic field profiles from measurements taken along 170 survey lines were inspected visually for evidence of a distinct pattern representing the presence of the cable. Many profiles were dominated by field distortions unrelated to the cable caused by bridge structures or other submerged objects, and the cable’s contribution to the field was not detectable. BB, with 40 of the survey lines, did not yield usable data for these reasons. The unrelated anomalies could be up to 100 times greater than those from the cable. In total, discernible magnetic field profiles measured from 76 survey lines were regressed against the equations, representing eight days of measurement. The modeled field anomalies due to the cable (the difference between the maximum and minimum field along the survey line at the cable crossing) were virtually identical to the measured

  7. Geophysical study of the crust and upper mantle beneath the central Rio Grande rift and adjacent Great Plains and Colorado Plateau

    SciTech Connect (OSTI)

    Ander, M.E.

    1981-03-01

    As part of the national hot dry rock (HDR) geothermal program conducted by Los Alamos Scientific Laboratory, a regional deep magnetotelluric (MT) survey of Arizona and New Mexico was performed. The main objective of the MT project was to produce a regional geoelectric contour map of the pervasive deep electrical conductor within the crust and/or upper mantle beneath the Colorado Plateau, Basin and Range Province, and Rio Grande rift. Three MT profiles cross the Jemez lineament. Preliminary one-dimensional analysis of the data suggest the lineament is associated with anomalously high electrical conductivity very shallow in the crust. An MT/audiomagnetotelluric (AMT) study of a 161 km/sup 2/ HDR prospect was performed on the Zuni Indian Reservation, New Mexico. Two-dimensional gravity modeling of a 700-km gravity profile at 34/sup 0/30'N latitude was used to study the crust and upper mantle beneath the Rio Grande rift. Several models of each of three consecutive layers were produced using all available geologic and geophysical constraints. Two short-wavelength anomalies along the gravity profile were analyzed using linear optimization techniques.

  8. Cutting-Edge Savannah River Site Project Avoids Millions in Costs, Removes Chemical Solvents from Underground: Project avoided costs totaling more than $15 million, removed tons of chemical solvents from beneath the Savannah River Site

    Energy.gov [DOE]

    AIKEN, S.C. – Workers recently completed a multiyear project that removed more than 33,000 gallons of non-radioactive chemical solvents from beneath a portion of the Savannah River Site (SRS), preventing those pollutants from entering the local water table and helping the site avoid costs of more than $15 million.

  9. Evaluation of Confining Layer Integrity Beneath the South District Wastewater Treatment Plant, Miami-Dade Water and Sewer Department, Dade County, Florida

    SciTech Connect (OSTI)

    Starr, R.C.; Green, T.S.; Hull, L.C.

    2001-02-28

    A review has been performed of existing information that describes geology, hydrogeology, and geochemistry at the South District Wastewater Treatment Plant, which is operated by the Miami-Dade Water and Sewer Department, in Dade County, Florida. Treated sanitary wastewater is injected into a saline aquifer beneath the plant. Detection of contaminants commonly associated with treated sanitary wastewater in the freshwater aquifer that overlies the saline aquifer has indicated a need for a reevaluation of the ability of the confining layer above the saline aquifer to prevent fluid migration into the overlying freshwater aquifer. Review of the available data shows that the geologic data set is not sufficient to demonstrate that a competent confining layer is present between the saline and freshwater aquifers. The hydrogeologic data also do not indicate that a competent confining layer is present. The geochemical data show that the freshwater aquifer is contaminated with treated wastewater, and the spatial patterns of contamination are consistent with upward migration through localized conduits through the Middle Confining Unit, such as leaking wells or natural features. Recommendations for collection and interpretation of additional site characterization data are provided.

  10. Evaluation of Confining Layer Integrity Beneath the South District Wastewater Treatment Plant, Miami-Dade Water and Sewer Department, Dade County, Florida

    SciTech Connect (OSTI)

    Starr, Robert Charles; Green, Timothy Scott; Hull, Laurence Charles

    2001-02-01

    A review has been performed of existing information that describes geology, hydrogeology, and geochemistry at the South District Wastewater Treatment Plant, which is operated by the Miami-Dade Water and Sewer Department, in Dade County, Florida. Treated sanitary wastewater is injected into a saline aquifer beneath the plant. Detection of contaminants commonly associated with treated sanitary wastewater in the freshwater aquifer that overlies the saline aquifer has indicated a need for a reevaluation of the ability of the confining layer above the saline aquifer to prevent fluid migration into the overlying freshwater aquifer. Review of the available data shows that the geologic data set is not sufficient to demonstrate that a competent confining layer is present between the saline and freshwater aquifers. The hydrogeologic data also do not indicate that a competent confining layer is present. The geochemical data show that the freshwater aquifer is contaminated with treated wastewater, and the spatial patterns of contamination are consistent with upward migration through localized conduits through the Middle Confining Unit, such as leaking wells or natural features. Recommendations for collection and interpretation of additional site characterization data are provided.

  11. Iron transformation pathways and redox micro-environments in seafloor sulfide-mineral deposits: Spatially resolved Fe XAS and δ57/54Fe observations

    DOE PAGES-Beta [OSTI]

    Toner, Brandy M.; Rouxel, Olivier J.; Santelli, Cara M.; Bach, Wolfgang; Edwards, Katrina J.

    2016-05-10

    findings reveal a dynamic range of Fe transformation pathways consistent with a continuum of micro-environments having variable redox conditions. Lastly, these micro-environments likely support redox cycling of Fe and S and are consistent with culture-dependent and -independent assessments of microbial physiology and genetic diversity of hydrothermal sulfide deposits.« less

  12. Computational Fluid Dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    scour-tracc-cfd TRACC RESEARCH Computational Fluid Dynamics Computational Structural Mechanics Transportation Systems Modeling Computational Fluid Dynamics Overview of CFD: Video ...

  13. Shared and Dynamic Libraries

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    flag instructs the compiler wrappers (i.e., ftn, cc, CC) to prepare a dynamically linked executable. edison01% ftn -dynamic -o dynexample.x dynexample.f90 There used to be...

  14. Shared and Dynamic Libraries

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Shared and Dynamic Libraries Shared and Dynamic Libraries The Hopper system can support applications that use dynamic shared libraries (DSL) on the compute nodes. Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include those that support software packages found in "typical" Linux distributions, e.g. Python and Perl. To build an application that will

  15. Planning a dynamic kill

    SciTech Connect (OSTI)

    Abel, L.W.

    1996-05-01

    This article discusses the methodology, design philosophy, and guidelines for planning a dynamic-kill operation for a wild well. The topics covered are two methods of computer analysis for designing dynamic-kill requirements, the design process, determining the pumping spread, and the pitfalls that a designer faces in planning a dynamic kill.

  16. Intramolecular and nonlinear dynamics

    SciTech Connect (OSTI)

    Davis, M.J.

    1993-12-01

    Research in this program focuses on three interconnected areas. The first involves the study of intramolecular dynamics, particularly of highly excited systems. The second area involves the use of nonlinear dynamics as a tool for the study of molecular dynamics and complex kinetics. The third area is the study of the classical/quantum correspondence for highly excited systems, particularly systems exhibiting classical chaos.

  17. Protein Dynamics and Biocatalysis

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Protein Dynamics and Biocatalysis Protein Dynamics and Biocatalysis 1998 Annual Report Grand Challenge Projects biocatalysis.gif A model of the Michaelis complex for the TEM-1/penicillin system from molecular dynamics simulations. Investigators: P. A. Bash, Northwestern University Medical School and M. Karplus, Harvard University Research Objectives A guiding principle of molecular biology is that the structure of a biomolecule defines its function. This principle is especially true in the case

  18. Dynamical principles in neuroscience

    SciTech Connect (OSTI)

    Rabinovich, Mikhail I.; Varona, Pablo; Selverston, Allen I.; Abarbanel, Henry D. I.

    2006-10-15

    Dynamical modeling of neural systems and brain functions has a history of success over the last half century. This includes, for example, the explanation and prediction of some features of neural rhythmic behaviors. Many interesting dynamical models of learning and memory based on physiological experiments have been suggested over the last two decades. Dynamical models even of consciousness now exist. Usually these models and results are based on traditional approaches and paradigms of nonlinear dynamics including dynamical chaos. Neural systems are, however, an unusual subject for nonlinear dynamics for several reasons: (i) Even the simplest neural network, with only a few neurons and synaptic connections, has an enormous number of variables and control parameters. These make neural systems adaptive and flexible, and are critical to their biological function. (ii) In contrast to traditional physical systems described by well-known basic principles, first principles governing the dynamics of neural systems are unknown. (iii) Many different neural systems exhibit similar dynamics despite having different architectures and different levels of complexity. (iv) The network architecture and connection strengths are usually not known in detail and therefore the dynamical analysis must, in some sense, be probabilistic. (v) Since nervous systems are able to organize behavior based on sensory inputs, the dynamical modeling of these systems has to explain the transformation of temporal information into combinatorial or combinatorial-temporal codes, and vice versa, for memory and recognition. In this review these problems are discussed in the context of addressing the stimulating questions: What can neuroscience learn from nonlinear dynamics, and what can nonlinear dynamics learn from neuroscience?.

  19. Accelerated Molecular Dynamics Methods

    Energy.gov [DOE]

    This presentation on Accelerated Molecular Dynamics Methods was given at the DOE Theory Focus Session on Hydrogen Storage Materials on May 18, 2006.

  20. computational fluid dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    computational fluid dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary ...

  1. Shared and Dynamic Libraries

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Some "out-of-the-box" applications require DSLs and some popular applications like Python use DSLs as well. Using System Shared and Dynamic Libraries "System" DSLs include...

  2. Dynamic defense workshop :

    SciTech Connect (OSTI)

    Crosby, Sean Michael; Doak, Justin E.; Haas, Jason Juedes.; Helinski, Ryan; Lamb, Christopher C.

    2013-02-01

    On September 5th and 6th, 2012, the Dynamic Defense Workshop: From Research to Practice brought together researchers from academia, industry, and Sandia with the goals of increasing collaboration between Sandia National Laboratories and external organizations, de ning and un- derstanding dynamic, or moving target, defense concepts and directions, and gaining a greater understanding of the state of the art for dynamic defense. Through the workshop, we broadened and re ned our de nition and understanding, identi ed new approaches to inherent challenges, and de ned principles of dynamic defense. Half of the workshop was devoted to presentations of current state-of-the-art work. Presentation topics included areas such as the failure of current defenses, threats, techniques, goals of dynamic defense, theory, foundations of dynamic defense, future directions and open research questions related to dynamic defense. The remainder of the workshop was discussion, which was broken down into sessions on de ning challenges, applications to host or mobile environments, applications to enterprise network environments, exploring research and operational taxonomies, and determining how to apply scienti c rigor to and investigating the eld of dynamic defense.

  3. Solar Dynamics | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Dynamics Jump to: navigation, search Name: Solar Dynamics Place: Ottumwa, Iowa Zip: IA 52501 Sector: Solar Product: Solar Dynamics is a US-based solar powered attic roof vents...

  4. System Dynamics Model | NISAC

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dynamics Model content top Chemical Supply Chain Analysis Posted by Admin on Mar 1, 2012 in | Comments 0 comments Chemical Supply Chain Analysis NISAC has developed a range of...

  5. Accelerated Molecular Dynamics Methods

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    ... Los Alamos Parallel Replica Dynamics Procedure Start clock and run thermostatted MD on ... Sum the trajectory times over all M processors. Advance simulation clock by this t sum Los ...

  6. Fluid Dynamics and Solid Mechanics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    ADTSC T T-3 Fluid Dynamics and Solid Mechanics Basic and applied research in theoretical continuum dynamics, modern hydrodynamic theory, materials modeling, global climate ...

  7. Multipulsed dynamic moire interferometer

    DOE Patents [OSTI]

    Deason, Vance A.

    1991-01-01

    An improved dynamic moire interferometer comprised of a lasing medium providing a plurality of beams of coherent light, a multiple q-switch producing multiple trains of 100,000 or more pulses per second, a combining means collimating multiple trains of pulses into substantially a single train and directing beams to specimen gratings affixed to a test material, and a controller, triggering and sequencing the emission of the pulses with the occurrence and recording of a dynamic loading event.

  8. Los Alamos Dynamics Application

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Los Alamos Dynamics Summer School Application Form Do not use MAC Preview tool to edit this form as it corrupts the data. Application deadline is January 10, 2016 5:00 PM (US Mountain Standard) A complete application package includes: * This Application Form * Cover Letter - Page cover letter describing your interest in this summer school and multi-disciplinary cyber- physical dynamic systems research as well as your near term (1-3 year) academic and professional goals. * CV (resume) * One (1)

  9. Photochemical reaction dynamics

    SciTech Connect (OSTI)

    Moore, B.C.

    1993-12-01

    The purpose of the program is to develop a fundamental understanding of unimolecular and bimolecular reaction dynamics with application in combustion and energy systems. The energy dependence in ketene isomerization, ketene dissociation dynamics, and carbonyl substitution on organometallic rhodium complexes in liquid xenon have been studied. Future studies concerning unimolecular processes in ketene as well as energy transfer and kinetic studies of methylene radicals are discussed.

  10. The ethics of dynamic pricing

    SciTech Connect (OSTI)

    Faruqui, Ahmad

    2010-07-15

    Dynamic pricing has garnered much interest among regulators and utilities, since it has the potential for lowering energy costs for society. But the deployment of dynamic pricing has been remarkably tepid. The underlying premise is that dynamic pricing is unfair. But the presumption of unfairness in dynamic pricing rests on an assumption of fairness in today's tariffs. (author)

  11. Dynamic Transmission Electron Microscopy

    SciTech Connect (OSTI)

    Evans, James E.; Jungjohann, K. L.; Browning, Nigel D.

    2012-10-12

    Dynamic transmission electron microscopy (DTEM) combines the benefits of high spatial resolution electron microscopy with the high temporal resolution of ultrafast lasers. The incorporation of these two components into a single instrument provides a perfect platform for in situ observations of material processes. However, previous DTEM applications have focused on observing structural changes occurring in samples exposed to high vacuum. Therefore, in order to expand the pump-probe experimental regime to more natural environmental conditions, in situ gas and liquid chambers must be coupled with Dynamic TEM. This chapter describes the current and future applications of in situ liquid DTEM to permit time-resolved atomic scale observations in an aqueous environment, Although this chapter focuses mostly on in situ liquid imaging, the same research potential exists for in situ gas experiments and the successful integration of these techniques promises new insights for understanding nanoparticle, catalyst and biological protein dynamics with unprecedented spatiotemporal resolution.

  12. Substructured multibody molecular dynamics.

    SciTech Connect (OSTI)

    Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

    2006-11-01

    We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

  13. Dynamic cable analysis models

    SciTech Connect (OSTI)

    Palo, P.A.; Meggitt, D.J.; Nordell, W.J.

    1983-05-01

    This paper presents a summary of the development and validation of undersea cable dynamics computer models by the Naval Civil Engineering Laboratory (NCEL) under the sponsorship of the Naval Facilities Engineering Command. These models allow for the analysis of both small displacement (strumming) and large displacement (static and dynamic) deformations of arbitrarily configured cable structures. All of the large displacement models described in this paper are available to the public. This paper does not emphasize the theoretical development of the models (this information is available in other references) but emphasizes the various features of the models, the comparisons between model output and experimental data, and applications for which the models have been used.

  14. Dynamics of helium films

    SciTech Connect (OSTI)

    Clements, B.E.; Epstein, J.L.; Krotscheck, E.; Tymczak, C.J.; Saarela, M.

    1992-11-01

    The authors present quantitative calculations for the static structure and the dynamics of quantum liquid films on a translationally invariant substrate. The excitation spectrum is calculated by solving the equations of motion for time-dependent one- and two-body densities. They find significant corrections to the Feynman spectrum for the phonon-like collective excitations. 8 refs., 2 figs.

  15. Dynamic radioactive particle source

    DOE Patents [OSTI]

    Moore, Murray E.; Gauss, Adam Benjamin; Justus, Alan Lawrence

    2012-06-26

    A method and apparatus for providing a timed, synchronized dynamic alpha or beta particle source for testing the response of continuous air monitors (CAMs) for airborne alpha or beta emitters is provided. The method includes providing a radioactive source; placing the radioactive source inside the detection volume of a CAM; and introducing an alpha or beta-emitting isotope while the CAM is in a normal functioning mode.

  16. Beam Dynamics for ARIA

    SciTech Connect (OSTI)

    Ekdahl, Carl August Jr.

    2014-10-14

    Beam dynamics issues are assessed for a new linear induction electron accelerator being designed for flash radiography of large explosively driven hydrodynamic experiments. Special attention is paid to equilibrium beam transport, possible emittance growth, and beam stability. It is concluded that a radiographic quality beam will be produced possible if engineering standards and construction details are equivalent to those on the present radiography accelerators at Los Alamos.

  17. Entanglement dynamics in chaotic systems

    SciTech Connect (OSTI)

    Ghose, Shohini [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Department of Physics and Astronomy, University of New Mexico, Albuquerque, New Mexico 87131 (United States); Sanders, Barry C. [Institute for Quantum Information Science, University of Calgary, Alberta, T2N 1N4 (Canada); Centre for Quantum Computer Technology, Macquarie University, Sydney, New South Wales (Australia)

    2004-12-01

    We study quantum chaos for systems with more than one degree of freedom, for which we present an analysis of the dynamics of entanglement. Our analysis explains the main features of entanglement dynamics and identifies entanglement-based signatures of quantum chaos. We discuss entanglement dynamics for a feasible experiment involving an atom in a magneto-optical trap and compare the results with entanglement dynamics for the well-studied quantum kicked top.

  18. Dynamical impurity problems

    SciTech Connect (OSTI)

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  19. Dynamic Underground Stripping Project

    SciTech Connect (OSTI)

    Aines, R.; Newmark, R.; McConachie, W.; Udell, K.; Rice, D.; Ramirez, A.; Siegel, W.; Buettner, M.; Daily, W.; Krauter, P.; Folsom, E.; Boegel, A.J.; Bishop, D.; Udell, K.

    1992-01-01

    LLNL is collaborating with the UC Berkeley College of Engineering to develop and demonstrate a system of thermal remediation and underground imaging techniques for use in rapid cleanup of localized underground spills. Called ``Dynamic Stripping`` to reflect the rapid and controllable nature of the process, it will combine steam injection, direct electrical heating, and tomographic geophysical imaging in a cleanup of the LLNL gasoline spill. In the first 8 months of the project, a Clean Site engineering test was conducted to prove the field application of the techniques before moving the contaminated site in FY 92.

  20. Long Fingers of Heat Beneath Earth's Surface

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    imaging methods are needed to measure and monitor subsurface reservoirs for hydrocarbon production or for carbon dioxide storage resulting from large-scale carbon...

  1. Cantera Aerosol Dynamics Simulator

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    The Cantera Aerosol Dynamics Simulator (CADS) package is a general library for aerosol modeling to address aerosol general dynamics, including formation from gas phase reactions, surface chemistry (growth and oxidation), bulk particle chemistry, transport by Brownian diffusion, thermophoresis, and diffusiophoresis with linkage to DSMC studies, and thermal radiative transport. The library is based upon Cantera, a C++ Cal Tech code that handles gas phase species transport, reaction, and thermodynamics. The method uses a discontinuous galerkinmore » formulation for the condensation and coagulation operator that conserves particles, elements, and enthalpy up to round-off error. Both O-D and 1-D time dependent applications have been developed with the library. Multiple species in the solid phase are handled as well. The O-D application, called Tdcads (Time Dependent CADS) is distributed with the library. Tdcads can address both constant volume and constant pressure adiabatic homogeneous problems. An extensive set of sample problems for Tdcads is also provided.« less

  2. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    DOE PAGES-Beta [OSTI]

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature ismore » roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

  3. Look-ahead Dynamic Simulation

    SciTech Connect (OSTI)

    2015-10-20

    Look-ahead dynamic simulation software system incorporates the high performance parallel computing technologies, significantly reduces the solution time for each transient simulation case, and brings the dynamic simulation analysis into on-line applications to enable more transparency for better reliability and asset utilization. It takes the snapshot of the current power grid status, functions in parallel computing the system dynamic simulation, and outputs the transient response of the power system in real time.

  4. Dynamic Aperture | Argonne National Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dynamic Aperture Dynamic Aperture is an array of dynamically-actuated fingers for real-time control of thin film deposition. All physical vapor-based processes are characterized by a unique spatial distribution of particle density (which is not necessarily constant over time due to changes in the source or environment) which needs to be controlled or modified. Variations in particle density are compensated for by shielding portions of the flux. Typically, this shielding simply consists of a

  5. Los Alamos Dynamics Summer School

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Los Alamos Dynamics Summer School » Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2718 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email How to Apply Students should email the following documents to LADSSApply@lanl.gov Application Form (pdf) A one-page cover letter describing your interest

  6. Los Alamos Dynamics Summer School

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Los Alamos Dynamics Summer School The Seventeenth Los Alamos Dynamics Summer School School overview and focus. Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2818 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email The Los Alamos Dynamics Summer School is a very selective summer school in which top upper-level US-citizen undergraduate students from universities around the nation attend lectures and work in teams of three

  7. Dynamics, Spectral Geometry and Topology

    SciTech Connect (OSTI)

    Burghelea, Dan

    2011-02-10

    The paper is an informal report on joint work with Stefan Haller on Dynamics in relation with Topology and Spectral Geometry. By dynamics one means a smooth vector field on a closed smooth manifold; the elements of dynamics of concern are the rest points, instantons and closed trajectories. One discusses their counting in the case of a generic vector field which has some additional properties satisfied by a still very large class of vector fields.

  8. Dynamic bed reactor

    DOE Patents [OSTI]

    Stormo, Keith E. (Moscow, ID)

    1996-07-02

    A dynamic bed reactor is disclosed in which a compressible open cell foam matrix is periodically compressed and expanded to move a liquid or fluid through the matrix. In preferred embodiments, the matrix contains an active material such as an enzyme, biological cell, chelating agent, oligonucleotide, adsorbent or other material that acts upon the liquid or fluid passing through the matrix. The active material may be physically immobilized in the matrix, or attached by covalent or ionic bonds. Microbeads, substantially all of which have diameters less than 50 microns, can be used to immobilize the active material in the matrix and further improve reactor efficiency. A particularly preferred matrix is made of open cell polyurethane foam, which adsorbs pollutants such as polychlorophenol or o-nitrophenol. The reactors of the present invention allow unidirectional non-laminar flow through the matrix, and promote intimate exposure of liquid reactants to active agents such as microorganisms immobilized in the matrix.

  9. Los Alamos Dynamics Summer School

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    The Seventeenth Los Alamos Dynamics Summer School Program Information and Application Process Contact Institute Director Charles Farrar (505) 663-5330 Email Executive...

  10. Dynamic Information Architecture System

    Energy Science and Technology Software Center (OSTI)

    1997-02-12

    The Dynamic Information System (DIAS) is a flexible object-based software framework for concurrent, multidiscplinary modeling of arbitrary (but related) processes. These processes are modeled as interrelated actions caused by and affecting the collection of diverse real-world objects represented in a simulation. The DIAS architecture allows independent process models to work together harmoniously in the same frame of reference and provides a wide range of data ingestion and output capabilities, including Geographic Information System (GIS) typemore » map-based displays and photorealistic visualization of simulations in progress. In the DIAS implementation of the object-based approach, software objects carry within them not only the data which describe their static characteristics, but also the methods, or functions, which describe their dynamic behaviors. There are two categories of objects: (1) Entity objects which have real-world counterparts and are the actors in a simulation, and (2) Software infrastructure objects which make it possible to carry out the simulations. The Entity objects contain lists of Aspect objects, each of which addresses a single aspect of the Entity''s behavior. For example, a DIAS Stream Entity representing a section of a river can have many aspects correspondimg to its behavior in terms of hydrology (as a drainage system component), navigation (as a link in a waterborne transportation system), meteorology (in terms of moisture, heat, and momentum exchange with the atmospheric boundary layer), and visualization (for photorealistic visualization or map type displays), etc. This makes it possible for each real-world object to exhibit any or all of its unique behaviors within the context of a single simulation.« less

  11. Dynamic granularity of imaging systems

    DOE PAGES-Beta [OSTI]

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rathermore » than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.« less

  12. Dynamic granularity of imaging systems

    SciTech Connect (OSTI)

    Geissel, Matthias; Smith, Ian C.; Shores, Jonathon E.; Porter, John L.

    2015-11-04

    Imaging systems that include a specific source, imaging concept, geometry, and detector have unique properties such as signal-to-noise ratio, dynamic range, spatial resolution, distortions, and contrast. Some of these properties are inherently connected, particularly dynamic range and spatial resolution. It must be emphasized that spatial resolution is not a single number but must be seen in the context of dynamic range and consequently is better described by a function or distribution. We introduce the “dynamic granularity” Gdyn as a standardized, objective relation between a detector’s spatial resolution (granularity) and dynamic range for complex imaging systems in a given environment rather than the widely found characterization of detectors such as cameras or films by themselves. We found that this relation can partly be explained through consideration of the signal’s photon statistics, background noise, and detector sensitivity, but a comprehensive description including some unpredictable data such as dust, damages, or an unknown spectral distribution will ultimately have to be based on measurements. Measured dynamic granularities can be objectively used to assess the limits of an imaging system’s performance including all contributing noise sources and to qualify the influence of alternative components within an imaging system. Our article explains the construction criteria to formulate a dynamic granularity and compares measured dynamic granularities for different detectors used in the X-ray backlighting scheme employed at Sandia’s Z-Backlighter facility.

  13. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    SciTech Connect (OSTI)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature is roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.

  14. Computational Fluid Dynamics Library

    Energy Science and Technology Software Center (OSTI)

    2005-03-04

    CFDLib05 is the Los Alamos Computational Fluid Dynamics LIBrary. This is a collection of hydrocodes using a common data structure and a common numerical method, for problems ranging from single-field, incompressible flow, to multi-species, multi-field, compressible flow. The data structure is multi-block, with a so-called structured grid in each block. The numerical method is a Finite-Volume scheme employing a state vector that is fully cell-centered. This means that the integral form of the conservation lawsmore » is solved on the physical domain that is represented by a mesh of control volumes. The typical control volume is an arbitrary quadrilateral in 2D and an arbitrary hexahedron in 3D. The Finite-Volume scheme is for time-unsteady flow and remains well coupled by means of time and space centered fluxes; if a steady state solution is required, the problem is integrated forward in time until the user is satisfied that the state is stationary.« less

  15. Dynamic Fault Detection Chassis

    SciTech Connect (OSTI)

    Mize, Jeffery J

    2007-01-01

    Abstract The high frequency switching megawatt-class High Voltage Converter Modulator (HVCM) developed by Los Alamos National Laboratory for the Oak Ridge National Laboratory's Spallation Neutron Source (SNS) is now in operation. One of the major problems with the modulator systems is shoot-thru conditions that can occur in a IGBTs H-bridge topology resulting in large fault currents and device failure in a few microseconds. The Dynamic Fault Detection Chassis (DFDC) is a fault monitoring system; it monitors transformer flux saturation using a window comparator and dV/dt events on the cathode voltage caused by any abnormality such as capacitor breakdown, transformer primary turns shorts, or dielectric breakdown between the transformer primary and secondary. If faults are detected, the DFDC will inhibit the IGBT gate drives and shut the system down, significantly reducing the possibility of a shoot-thru condition or other equipment damaging events. In this paper, we will present system integration considerations, performance characteristics of the DFDC, and discuss its ability to significantly reduce costly down time for the entire facility.

  16. ICFA Beam Dynamics Newsletter

    SciTech Connect (OSTI)

    Ben-Zvi I.; Kuczewski A.; Altinbas, Z.; Beavis, D.; Belomestnykh,; Dai, J. et al

    2012-07-01

    The Collider-Accelerator Department at Brookhaven National Laboratory is building a high-brightness 500 mA capable Energy Recovery Linac (ERL) as one of its main R&D thrusts towards eRHIC, the polarized electron - hadron collider as an upgrade of the operating RHIC facility. The ERL is in final assembly stages, with injection commisioning starting in October 2012. The objective of this ERL is to serve as a platform for R&D into high current ERL, in particular issues of halo generation and control, Higher-Order Mode (HOM) issues, coherent emissions for the beam and high-brightness, high-power beam generation and preservation. The R&D ERL features a superconducting laser-photocathode RF gun with a high quantum efficiency photoccathode served with a load-lock cathode delivery system, a highly damped 5-cell accelerating cavity, a highly flexible single-pass loop and a comprehensive system of beam instrumentation. In this ICFA Beam Dynamics Newsletter article we will describe the ERL in a degree of detail that is not usually found in regular publications. We will discuss the various systems of the ERL, following the electrons from the photocathode to the beam dump, cover the control system, machine protection etc and summarize with the status of the ERL systems.

  17. Global/Local Dynamic Models

    SciTech Connect (OSTI)

    Pfeffer, A; Das, S; Lawless, D; Ng, B

    2006-10-10

    Many dynamic systems involve a number of entities that are largely independent of each other but interact with each other via a subset of state variables. We present global/local dynamic models (GLDMs) to capture these kinds of systems. In a GLDM, the state of an entity is decomposed into a globally influenced state that depends on other entities, and a locally influenced state that depends only on the entity itself. We present an inference algorithm for GLDMs called global/local particle filtering, that introduces the principle of reasoning globally about global dynamics and locally about local dynamics. We have applied GLDMs to an asymmetric urban warfare environment, in which enemy units form teams to attack important targets, and the task is to detect such teams as they form. Experimental results for this application show that global/local particle filtering outperforms ordinary particle filtering and factored particle filtering.

  18. The power of dynamic pricing

    SciTech Connect (OSTI)

    Faruqui, Ahmad; Hledik, Ryan; Tsoukalis, John

    2009-04-15

    Using data from a generic California utility, it can be shown that it is feasible to develop dynamic pricing rates for all customer classes. These rates have the potential to reduce system peak demands from 1 to 9 percent. (author)

  19. Fluid Dynamics with Free Surfaces

    Energy Science and Technology Software Center (OSTI)

    1992-02-01

    RIPPLE is a two-dimensional, transient, free surface incompressible fluid dynamics program. It allows multiple free surfaces with surface tension and wall adhesion forces and has a partial cell treatment which allows curved boundaries and interior obstacles.

  20. Gas-phase chemical dynamics

    SciTech Connect (OSTI)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M.

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  1. Dynamic stall on wind turbine blades

    SciTech Connect (OSTI)

    Butterfield, C.P.; Simms, D.; Scott, G. ); Hansen, A.C. )

    1991-12-01

    Dynamic loads must be predicted accurately in order to estimate the fatigue life of wind turbines operating in turbulent environments. Dynamic stall contributes to increased dynamic loads during normal operation of all types of horizontal-axis wind turbine (HAWTs). This report illustrates how dynamic stall varies throughout the blade span of a 10 m HAWT during yawed and unyawed operating conditions. Lift, drag, and pitching moment coefficients during dynamics stall are discussed. Resulting dynamic loads are presented, and the effects of dynamic stall on yaw loads are demonstrated using a yaw loads dynamic analysis (YAWDYN). 12 refs., 22 figs., 1 tab.

  2. Dynamic Worldwide Solar Energy | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Worldwide Solar Energy Jump to: navigation, search Name: Dynamic Worldwide Solar Energy Sector: Solar Product: US-based solar developer and financer. References: Dynamic Worldwide...

  3. Soil Machine Dynamics Ltd | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Machine Dynamics Ltd Jump to: navigation, search Name: Soil Machine Dynamics Ltd Region: United Kingdom Sector: Marine and Hydrokinetic Website: http: This company is listed in the...

  4. Magnetofluid dynamics in curved spacetime (Journal Article) ...

    Office of Scientific and Technical Information (OSTI)

    Magnetofluid dynamics in curved spacetime Citation Details In-Document Search Title: Magnetofluid dynamics in curved spacetime Authors: Bhattacharjee, Chinmoy ; Das, Rupam ; ...

  5. Dynamical symmetries in nuclear structure

    SciTech Connect (OSTI)

    Casten, R.F.

    1986-01-01

    In recent years the concept of dynamical symmetries in nuclei has witnessed a renaissance of interest and activity. Much of this work has been developed in the context of the Interacting Boson Approximation (or IBA) model. The appearance and properties of dynamical symmetries in nuclei will be reviewed, with emphasis on their characteristic signatures and on the role of the proton-neutron interaction in their formation, systematics and evolution. 36 refs., 20 figs.

  6. Microbial Life on the Seafloor: Where's the Energy?

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    V and the remote operated vehicle Jason II to determine whether or not extensive biofilm formation and rock weathered had occurred. The study was designed to test whether...

  7. HAWT performance with dynamic stall

    SciTech Connect (OSTI)

    Hibbs, B.D.

    1986-02-01

    In this report we calculated the effects of flow nonuniformities (wing shear, tower wake, yaw, and large-scale turbulence) on the performance of a horizontal axis wind turbine, accounting for dynamic stall. We modified the PROP program to incorporate and compare these effects with the uniform flow case. The MIT model, which predicts dynamic lift coefficients substantially higher than the static maximum values and includes a crude model of the vortex roll-off phenomenon, represented dynamic stall. As associated model for drag was also used. The dynamic stall model was tested against experimental data for three typical reduced frequencies. Good instantaneous correlation was obtained. The effects of nonuniformities with and without the dynamic stall were calculated using the Westinghouse Mod O and Enertech 44/25 turbines. Modeling the dynamic stall has little effect on performance. Furthermore, the performance with nonuniform flow differed only slightly from the uniform flow case. Thus the now PROP model provides a powerful general capability to handle nonuniform flows.

  8. Dynamics near QCD critical point by dynamic renormalization group

    SciTech Connect (OSTI)

    Minami, Yuki

    2011-05-01

    We work out the basic analysis on dynamics near the QCD critical point (CP) by the dynamic renormalization group (RG). In addition to the RG analysis by coarse-graining, we construct the nonlinear Langevin equation as a basic equation for the critical dynamics. Our construction is based on the generalized Langevin theory and the relativistic hydrodynamics. Applying the dynamic RG to the constructed equation, we derive the RG equation for the transport coefficients and analyze their critical behaviors. We find that the resulting RG equation turns out to be the same as that for the liquid-gas CP except for an insignificant constant. Therefore, the bulk viscosity and the thermal conductivity strongly diverge at the QCD CP. We also show that the thermal and viscous diffusion modes exhibit critical slowing down with the dynamic critical exponents z{sub thermal}{approx}3 and z{sub viscous}{approx}2, respectively. In contrast, the sound propagating mode shows critical speeding up with the negative exponent z{sub sound}{approx}-0.8.

  9. Simple Dynamic Gasifier Model That Runs in Aspen Dynamics

    SciTech Connect (OSTI)

    Robinson, P.J.; Luyben, W.L.

    2008-10-15

    Gasification (or partial oxidation) is a vital component of 'clean coal' technology. Sulfur and nitrogen emissions can be reduced, overall energy efficiency is increased, and carbon dioxide recovery and sequestration are facilitated. Gasification units in an electric power generation plant produce a fuel for driving combustion turbines. Gasification units in a chemical plant generate gas, which can be used to produce a wide spectrum of chemical products. Future plants are predicted to be hybrid power/chemical plants with gasification as the key unit operation. The widely used process simulator Aspen Plus provides a library of models that can be used to develop an overall gasifier model that handles solids. So steady-state design and optimization studies of processes with gasifiers can be undertaken. This paper presents a simple approximate method for achieving the objective of having a gasifier model that can be exported into Aspen Dynamics. The basic idea is to use a high molecular weight hydrocarbon that is present in the Aspen library as a pseudofuel. This component should have the same 1:1 hydrogen-to-carbon ratio that is found in coal and biomass. For many plantwide dynamic studies, a rigorous high-fidelity dynamic model of the gasifier is not needed because its dynamics are very fast and the gasifier gas volume is a relatively small fraction of the total volume of the entire plant. The proposed approximate model captures the essential macroscale thermal, flow, composition, and pressure dynamics. This paper does not attempt to optimize the design or control of gasifiers but merely presents an idea of how to dynamically simulate coal gasification in an approximate way.

  10. The handbook of fluid dynamics

    SciTech Connect (OSTI)

    Johnson, R.W.

    1998-07-01

    This book provides professionals in the field of fluid dynamics with a comprehensive guide and resource. The book balances three traditional areas of fluid mechanics--theoretical, computational, and experimental--and expounds on basic science and engineering techniques. Each chapter introduces a topic, discusses the primary issues related to this subject, outlines approaches taken by experts, and supplies references for further information. Topics discussed include: (1) basic engineering fluid dynamics; (2) classical fluid dynamics; (3) turbulence modeling; (4) reacting flows; (5) multiphase flows; (6) flow and porous media; (7) high Reynolds number asymptotic theories; (8) finite difference method; (9) finite volume method; (10) finite element methods; (11) spectral element methods for incompressible flows; (12) experimental methods, such as hot-wire anemometry, laser-Doppler velocimetry, and flow visualization; and (13) applications, such as axial-flow compressor and fan aerodynamics, turbomachinery, airfoils and wings, atmospheric flows, and mesoscale oceanic flows.

  11. Fissile solution dynamics: Student research

    SciTech Connect (OSTI)

    Hetrick, D.L.

    1994-09-01

    There are two research projects in criticality safety at the University of Arizona: one in dynamic simulation of hypothetical criticality accidents in fissile solutions, and one in criticality benchmarks using transport theory. We have used the data from nuclear excursions in KEWB, CRAC, and SILENE to help in building models for solution excursions. An equation of state for liquids containing gas bubbles has been developed and coupled to point-reactor dynamics in an attempt to predict fission rate, yield, pressure, and kinetic energy. It appears that radiolytic gas is unimportant until after the first peak, but that it does strongly affect the shape of the subsequent power decrease and also the dynamic pressure.

  12. Dynamics of Block Copolymer Nanocomposites

    SciTech Connect (OSTI)

    Mochrie, Simon G. J.

    2014-09-09

    A detailed study of the dynamics of cadmium sulfide nanoparticles suspended in polystyrene homopolymer matrices was carried out using X-ray photon correlation spectroscopy for temperatures between 120 and 180 °C. For low molecular weight polystyrene homopolymers, the observed dynamics show a crossover from diffusive to hyper-diffusive behavior with decreasing temperatures. For higher molecular weight polystyrene, the nanoparticle dynamics appear hyper-diffusive at all temperatures studied. The relaxation time and characteristic velocity determined from the measured hyper-diffusive dynamics reveal that the activation energy and underlying forces determined are on the order of 2.14 × 10-19 J and 87 pN, respectively. We also carried out a detailed X-ray scattering study of the static and dynamic behavior of a styrene– isoprene diblock copolymer melt with a styrene volume fraction of 0.3468. At 115 and 120 °C, we observe splitting of the principal Bragg peak, which we attribute to phase coexistence of hexagonal cylindrical and cubic double- gyroid structure. In the disordered phase, above 130 °C, we have characterized the dynamics of composition fluctuations via X-ray photon correlation spectroscopy. Near the peak of the static structure factor, these fluctuations show stretched-exponential relaxations, characterized by a stretching exponent of about 0.36 for a range of temperatures immediately above the MST. The corresponding characteristic relaxation times vary exponentially with temperature, changing by a factor of 2 for each 2 °C change in temperature. At low wavevectors, the measured relaxations are diffusive with relaxation times that change by a factor of 2 for each 8 °C change in temperature.

  13. Fairness and dynamic pricing: comments

    SciTech Connect (OSTI)

    Hogan, William W.

    2010-07-15

    In ''The Ethics of Dynamic Pricing,'' Ahmad Faruqui lays out a case for improved efficiency in using dynamic prices for retail electricity tariffs and addresses various issues about the distributional effects of alternative pricing mechanisms. The principal contrast is between flat or nearly constant energy prices and time-varying prices that reflect more closely the marginal costs of energy and capacity. The related issues of fairness criteria, contracts, risk allocation, cost allocation, means testing, real-time pricing, and ethical policies of electricity market design also must be considered. (author)

  14. Theoretical studies of combustion dynamics

    SciTech Connect (OSTI)

    Bowman, J.M.

    1993-12-01

    The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.

  15. Dynamical systems probabilistic risk assessment.

    SciTech Connect (OSTI)

    Denman, Matthew R.; Ames, Arlo Leroy

    2014-03-01

    Probabilistic Risk Assessment (PRA) is the primary tool used to risk-inform nuclear power regulatory and licensing activities. Risk-informed regulations are intended to reduce inherent conservatism in regulatory metrics (e.g., allowable operating conditions and technical specifications) which are built into the regulatory framework by quantifying both the total risk profile as well as the change in the risk profile caused by an event or action (e.g., in-service inspection procedures or power uprates). Dynamical Systems (DS) analysis has been used to understand unintended time-dependent feedbacks in both industrial and organizational settings. In dynamical systems analysis, feedback loops can be characterized and studied as a function of time to describe the changes to the reliability of plant Structures, Systems and Components (SSCs). While DS has been used in many subject areas, some even within the PRA community, it has not been applied toward creating long-time horizon, dynamic PRAs (with time scales ranging between days and decades depending upon the analysis). Understanding slowly developing dynamic effects, such as wear-out, on SSC reliabilities may be instrumental in ensuring a safely and reliably operating nuclear fleet. Improving the estimation of a plant's continuously changing risk profile will allow for more meaningful risk insights, greater stakeholder confidence in risk insights, and increased operational flexibility.

  16. Workshop on quantitative dynamic stratigraphy

    SciTech Connect (OSTI)

    Cross, T.A.

    1988-04-01

    This document discusses the development of quantitative simulation models for the investigation of geologic systems. The selection of variables, model verification, evaluation, and future directions in quantitative dynamic stratigraphy (QDS) models are detailed. Interdisciplinary applications, integration, implementation, and transfer of QDS are also discussed. (FI)

  17. An experimental investigation of the dynamics of submarine leveed channel initiation as sediment-laden density currents experience sudden unconfinement

    SciTech Connect (OSTI)

    Rowland, Joel C; Hilley, George E; Fildani, Andrea

    2009-01-01

    Leveed submarine channels play a critical role in the transfer of sediment from the upper continental slopes to interslope basins and ultimately deepwater settings. Despite a reasonable understanding of how these channels grow once established, how such channels initiate on previously unchannelized portions of the seafloor remains poorly understood. We conducted a series of experiments that elucidate the influence of excess density relative to flow velocity on the dynamics of, and depositional morphologies arising from, density currents undergoing sudden unconfinement across a sloped bed. Experimental currents transported only suspended sediment across a non-erodible substrate. Under flow conditions ranging from supercritical to subcritical (bulk Richardson numbers of 0.02 to 1.2) our experiments failed to produce deposits resembling or exhibiting the potential to evolve into self-formed leveed channels. In the absence of excess density, a submerged sediment-laden flow produced sharp crested lateral deposits bounding the margins of the flow for approximately a distance of two outlet widths down basin. These lateral deposits terminated in a centerline deposit that greatly exceeded marginal deposits in thickness. As excess density increased relative to the outlet velocity, the rate of lateral spreading of the flow increased relative to the downstream propagation of the density current, transitioning from a narrow flow aligned with the channel outlet to a broad radially expanding flow. Coincident with these changes in flow dynamics, the bounding lateral deposits extended for shorter distances, had lower, more poorly defined crests that were increasingly wider in separation than the initial outlet, and progressively became more oblong rather than linear. Based on our results, we conclude that leveed channels cannot initiate from sediment-laden density currents under strictly depositional conditions. Partial confinement of these currents appears to be necessary to

  18. HelioDynamics Ltd | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    HelioDynamics Ltd Jump to: navigation, search Name: HelioDynamics Ltd Place: Cambridge, United Kingdom Zip: CB23 2SH Sector: Solar Product: Manufactures the HD211 product - a solar...

  19. Predissociation dynamics of lithium iodide

    SciTech Connect (OSTI)

    Schmidt, H.; Vangerow, J. von; Stienkemeier, F.; Mudrich, M.; Bogomolov, A. S.; Baklanov, A. V.; Reich, D. M.; Skomorowski, W.; Koch, C. P.

    2015-01-28

    The predissociation dynamics of lithium iodide (LiI) in the first excited A-state is investigated for molecules in the gas phase and embedded in helium nanodroplets, using femtosecond pump-probe photoionization spectroscopy. In the gas phase, the transient Li{sup +} and LiI{sup +} ion signals feature damped oscillations due to the excitation and decay of a vibrational wave packet. Based on high-level ab initio calculations of the electronic structure of LiI and simulations of the wave packet dynamics, the exponential signal decay is found to result from predissociation predominantly at the lowest avoided X-A potential curve crossing, for which we infer a coupling constant V{sub XA} = 650(20) cm{sup −1}. The lack of a pump-probe delay dependence for the case of LiI embedded in helium nanodroplets indicates fast droplet-induced relaxation of the vibrational excitation.

  20. Dynamic imaging with electron microscopy

    ScienceCinema (OSTI)

    Campbell, Geoffrey; McKeown, Joe; Santala, Melissa

    2016-07-12

    Livermore researchers have perfected an electron microscope to study fast-evolving material processes and chemical reactions. By applying engineering, microscopy, and laser expertise to the decades-old technology of electron microscopy, the dynamic transmission electron microscope (DTEM) team has developed a technique that can capture images of phenomena that are both very small and very fast. DTEM uses a precisely timed laser pulse to achieve a short but intense electron beam for imaging. When synchronized with a dynamic event in the microscope's field of view, DTEM allows scientists to record and measure material changes in action. A new movie-mode capability, which earned a 2013 R&D 100 Award from R&D Magazine, uses up to nine laser pulses to sequentially capture fast, irreversible, even one-of-a-kind material changes at the nanometer scale. DTEM projects are advancing basic and applied materials research, including such areas as nanostructure growth, phase transformations, and chemical reactions.

  1. Dynamic load balancing of applications

    DOE Patents [OSTI]

    Wheat, S.R.

    1997-05-13

    An application-level method for dynamically maintaining global load balance on a parallel computer, particularly on massively parallel MIMD computers is disclosed. Global load balancing is achieved by overlapping neighborhoods of processors, where each neighborhood performs local load balancing. The method supports a large class of finite element and finite difference based applications and provides an automatic element management system to which applications are easily integrated. 13 figs.

  2. Dynamic load balancing of applications

    DOE Patents [OSTI]

    Wheat, Stephen R.

    1997-01-01

    An application-level method for dynamically maintaining global load balance on a parallel computer, particularly on massively parallel MIMD computers. Global load balancing is achieved by overlapping neighborhoods of processors, where each neighborhood performs local load balancing. The method supports a large class of finite element and finite difference based applications and provides an automatic element management system to which applications are easily integrated.

  3. Sierra Structural Dynamics User's Notes

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of weapons systems. This document provides a users guide to the input for Sierra/SD. Details of input specifications for the different solution types, output options, element types and parameters are included. The appendices contain detailed examples, and instructions for running the software on parallel platforms.

  4. Cryptosystems based on chaotic dynamics

    SciTech Connect (OSTI)

    McNees, R.A.; Protopopescu, V.; Santoro, R.T.; Tolliver, J.S.

    1993-08-01

    An encryption scheme based on chaotic dynamics is presented. This scheme makes use of the efficient and reproducible generation of cryptographically secure pseudo random numbers from chaotic maps. The result is a system which encrypts quickly and possesses a large keyspace, even in small precision implementations. This system offers an excellent solution to several problems including the dissemination of key material, over the air rekeying, and other situations requiring the secure management of information.

  5. Los Alamos Dynamics Summer School Projects

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Los Alamos Dynamics Summer School » Los Alamos Dynamics Summer School-Overview Los Alamos Dynamics Summer School Projects Los Alamos Dynamics Summer School Projects and Resources Contact Institute Director Charles Farrar (505) 665-0860 Email Executive Administrator Ellie Vigil (505) 667-2818 Email Administrative Assistant Rebecca Duran (505) 665-8899 Email Past Programs and Resources 2015 2014 STUDENT RESOURCES Precollege Undergrads Graduates Postdocs Housing Los Alamos National Laboratory Logo

  6. Insight Gained from Simplified Dynamic Analysis

    Energy.gov [DOE]

    Insight Gained from Simplified Dynamic Analysis ... or Everything Old is New Again October 21, 2014 Greg Mertz Consultant

  7. Development of a Dynamic DOE Calibration Model

    Energy.gov [DOE]

    A dynamic heavy duty diesel engine model was developed. The model can be applied for calibration and control system optimization.

  8. Dynamical coupled-channel analysis at EBAC

    SciTech Connect (OSTI)

    T.-S. H. Lee

    2007-08-01

    The status and progress of the dynamical coupled-channel analysis at the Excited Baryon Analysis Center (EBAC) is reported.

  9. Brownian dynamics without Green's functions

    SciTech Connect (OSTI)

    Delong, Steven; Donev, Aleksandar; Usabiaga, Florencio Balboa; Delgado-Buscalioni, Rafael; Griffith, Boyce E.; Leon H. Charney Division of Cardiology, Department of Medicine, New York University School of Medicine, New York, New York 10016

    2014-04-07

    We develop a Fluctuating Immersed Boundary (FIB) method for performing Brownian dynamics simulations of confined particle suspensions. Unlike traditional methods which employ analytical Green's functions for Stokes flow in the confined geometry, the FIB method uses a fluctuating finite-volume Stokes solver to generate the action of the response functions on the fly. Importantly, we demonstrate that both the deterministic terms necessary to capture the hydrodynamic interactions among the suspended particles, as well as the stochastic terms necessary to generate the hydrodynamically correlated Brownian motion, can be generated by solving the steady Stokes equations numerically only once per time step. This is accomplished by including a stochastic contribution to the stress tensor in the fluid equations consistent with fluctuating hydrodynamics. We develop novel temporal integrators that account for the multiplicative nature of the noise in the equations of Brownian dynamics and the strong dependence of the mobility on the configuration for confined systems. Notably, we propose a random finite difference approach to approximating the stochastic drift proportional to the divergence of the configuration-dependent mobility matrix. Through comparisons with analytical and existing computational results, we numerically demonstrate the ability of the FIB method to accurately capture both the static (equilibrium) and dynamic properties of interacting particles in flow.

  10. Earth materials and earth dynamics

    SciTech Connect (OSTI)

    Bennett, K; Shankland, T.

    2000-11-01

    In the project ''Earth Materials and Earth Dynamics'' we linked fundamental and exploratory, experimental, theoretical, and computational research programs to shed light on the current and past states of the dynamic Earth. Our objective was to combine different geological, geochemical, geophysical, and materials science analyses with numerical techniques to illuminate active processes in the Earth. These processes include fluid-rock interactions that form and modify the lithosphere, non-linear wave attenuations in rocks that drive plate tectonics and perturb the earth's surface, dynamic recrystallization of olivine that deforms the upper mantle, development of texture in high-pressure olivine polymorphs that create anisotropic velocity regions in the convecting upper mantle and transition zone, and the intense chemical reactions between the mantle and core. We measured physical properties such as texture and nonlinear elasticity, equation of states at simultaneous pressures and temperatures, magnetic spins and bonding, chemical permeability, and thermal-chemical feedback to better characterize earth materials. We artificially generated seismic waves, numerically modeled fluid flow and transport in rock systems and modified polycrystal plasticity theory to interpret measured physical properties and integrate them into our understanding of the Earth. This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL).

  11. Simulation and sequential dynamical systems

    SciTech Connect (OSTI)

    Mortveit, H.S.; Reidys, C.M.

    1999-06-01

    Computer simulations have a generic structure. Motivated by this the authors present a new class of discrete dynamical systems that captures this structure in a mathematically precise way. This class of systems consists of (1) a loopfree graph {Upsilon} with vertex set {l_brace}1,2,{hor_ellipsis},n{r_brace} where each vertex has a binary state, (2) a vertex labeled set of functions (F{sub i,{Upsilon}}:F{sub 2}{sup n} {yields} F{sub 2}{sup n}){sub i} and (3) a permutation {pi} {element_of} S{sub n}. The function F{sub i,{Upsilon}} updates the state of vertex i as a function of the states of vertex i and its {Upsilon}-neighbors and leaves the states of all other vertices fixed. The permutation {pi} represents the update ordering, i.e., the order in which the functions F{sub i,{Upsilon}} are applied. By composing the functions F{sub i,{Upsilon}} in the order given by {pi} one obtains the dynamical system (equation given in paper), which the authors refer to as a sequential dynamical system, or SDS for short. The authors will present bounds for the number of functionally different systems and for the number of nonisomorphic digraphs {Gamma}[F{sub {Upsilon}},{pi}] that can be obtained by varying the update order and applications of these to specific graphs and graph classes.

  12. Dynamics of micelle-nanoparticle systems undergoing shear: a...

    Office of Scientific and Technical Information (OSTI)

    Dynamics of micelle-nanoparticle systems undergoing shear: a coarse-grained molecular dynamics approach Citation Details In-Document Search Title: Dynamics of micelle-nanoparticle ...

  13. DLFM library tools for large scale dynamic applications

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    DLFM library tools for large scale dynamic applications DLFM library tools for large scale dynamic applications Large scale Python and other dynamic applications may spend huge ...

  14. Brownian Dynamics Simulation of Protein Solutions: Structural and Dynamical Properties

    SciTech Connect (OSTI)

    Mereghetti, Paolo; Gabdoulline, Razif; Wade, Rebecca C.

    2010-12-01

    The study of solutions of biomacromolecules provides an important basis for understanding the behavior of many fundamental cellular processes, such as protein folding, self-assembly, biochemical reactions, and signal transduction. Here, we describe a Brownian dynamics simulation procedure and its validation for the study of the dynamic and structural properties of protein solutions. In the model used, the proteins are treated as atomically detailed rigid bodies moving in a continuum solvent. The protein-protein interaction forces are described by the sum of electrostatic interaction, electrostatic desolvation, nonpolar desolvation, and soft-core repulsion terms. The linearized Poisson-Boltzmann equation is solved to compute electrostatic terms. Simulations of homogeneous solutions of three different proteins with varying concentrations, pH, and ionic strength were performed. The results were compared to experimental data and theoretical values in terms of long-time self-diffusion coefficients, second virial coefficients, and structure factors. The results agree with the experimental trends and, in many cases, experimental values are reproduced quantitatively. There are no parameters specific to certain protein types in the interaction model, and hence the model should be applicable to the simulation of the behavior of mixtures of macromolecules in cell-like crowded environments.

  15. Lagrangian continuum dynamics in ALEGRA.

    SciTech Connect (OSTI)

    Wong, Michael K. W.; Love, Edward

    2007-12-01

    Alegra is an ALE (Arbitrary Lagrangian-Eulerian) multi-material finite element code that emphasizes large deformations and strong shock physics. The Lagrangian continuum dynamics package in Alegra uses a Galerkin finite element spatial discretization and an explicit central-difference stepping method in time. The goal of this report is to describe in detail the characteristics of this algorithm, including the conservation and stability properties. The details provided should help both researchers and analysts understand the underlying theory and numerical implementation of the Alegra continuum hydrodynamics algorithm.

  16. Dynamic Underground Stripping Demonstration Project

    SciTech Connect (OSTI)

    Aines, R.; Newmark, R.; McConachie, W.; Rice, D.; Ramirez, A.; Siegel, W.; Buettner, M.; Daily, W.; Krauter, P.; Folsom, E.; Boegel, A.J.; Bishop, D. ); udel, K. . Dept. of Mechanical Engineering)

    1992-03-01

    LLNL is collaborating with the UC Berkeley College of Engineering to develop and demonstrate a system of thermal remediation and underground imaging techniques for use in rapid cleanup of localized underground spills. Called Dynamic Stripping'' to reflect the rapid and controllable nature of the process, it will combine steam injection, direct electrical heating, and tomographic geophysical imaging in a cleanup of the LLNL gasoline spill. In the first 8 months of the project, a Clean Site engineering test was conducted to prove the field application of the techniques before moving to the contaminated site in FY 92.

  17. Dynamics of gauge field inflation

    SciTech Connect (OSTI)

    Alexander, Stephon; Jyoti, Dhrubo; Kosowsky, Arthur; Marcianò, Antonino

    2015-05-05

    We analyze the existence and stability of dynamical attractor solutions for cosmological inflation driven by the coupling between fermions and a gauge field. Assuming a spatially homogeneous and isotropic gauge field and fermion current, the interacting fermion equation of motion reduces to that of a free fermion up to a phase shift. Consistency of the model is ensured via the Stückelberg mechanism. We prove the existence of exactly one stable solution, and demonstrate the stability numerically. Inflation arises without fine tuning, and does not require postulating any effective potential or non-standard coupling.

  18. Interference of probabilities in dynamics

    SciTech Connect (OSTI)

    Zak, Michail

    2014-08-15

    A new class of dynamical systems with a preset type of interference of probabilities is introduced. It is obtained from the extension of the Madelung equation by replacing the quantum potential with a specially selected feedback from the Liouville equation. It has been proved that these systems are different from both Newtonian and quantum systems, but they can be useful for modeling spontaneous collective novelty phenomena when emerging outputs are qualitatively different from the weighted sum of individual inputs. Formation of language and fast decision-making process as potential applications of the probability interference is discussed.

  19. Ultrafast studies of solution dynamics

    SciTech Connect (OSTI)

    Woodruff, W.H.; Dyer, R.B.; Callender, R.H.

    1997-10-01

    This is the final report of a one-year, Laboratory Directed Research and Development (LDRD) project at Los Alamos National Laboratory (LANL). Fast chemical dynamics generally must be initiated photochemically. This limits the applicability of modern laser methods for following the structural changes that occur during chemical and biological reactions to those systems that have an electronic chromophore that has a significant yield of photoproduct when excited. This project has developed a new and entirely general approach to ultrafast initiation of reactions in solution: laser-induced temperature jump (T-jump). The results open entire new fields of study of ultrafast molecular dynamics in solution. The authors have demonstrated the T-jump technique on time scales of 50 ps and longer, and have applied it to study of the fast events in protein folding. They find that a general lifetime of alpha-helix formation is ca 100 ns, and that tertiary folds (in apomyoglobin) form in ca 100 {mu}s.

  20. PyMPI Dynamic Benchmark

    Energy Science and Technology Software Center (OSTI)

    2007-02-16

    Pynamic is a benchmark designed to test a system's ability to handle the Dynamic Linking and Loading (DLL) requirements of Python-based scientific applications. This benchmark is developed to add a workload to our testing environment, a workload that represents a newly emerging class of DLL behaviors. Pynamic buildins on pyMPI, and MPI extension to Python C-extension dummy codes and a glue layer that facilitates linking and loading of the generated dynamic modules into the resultingmore » pyMPI. Pynamic is configurable, enabling modeling the static properties of a specific code as described in section 5. It does not, however, model any significant computationss of the target and hence, it is not subjected to the same level of control as the target code. In fact, HPC computer vendors and tool developers will be encouraged to add it to their tesitn suite once the code release is completed. an ability to produce and run this benchmark is an effective test for valifating the capability of a compiler and linker/loader as well as an OS kernel and other runtime system of HPC computer vendors. In addition, the benchmark is designed as a test case for stressing code development tools. Though Python has recently gained popularity in the HPC community, it heavy DLL operations have hindered certain HPC code development tools, notably parallel debuggers, from performing optimally.« less

  1. Dynamic Testing of Gasifier Refractory

    SciTech Connect (OSTI)

    Michael D. Mann; Devdutt Shukla; John P. Hurley

    2003-09-27

    The University of North Dakota (UND) Chemical Engineering Department in conjunction with the UND Energy & Environmental Research Center (EERC) have initiated a program to thoroughly examine the combined chemical (reaction and phase change) and physical (erosion) effects experienced by a variety of refractory materials during both normal operation and thermal cycling under slagging coal gasification conditions. The goal of this work is to devise a mechanism of refractory loss under these conditions. The controlled-atmospheric dynamic corrodent application furnace (CADCAF) is being utilized to simulate refractory/slag interactions under dynamic conditions that more realistically simulate the environment in a slagging coal gasifier than any of the static tests used previously by refractory manufacturers and researchers. Shakedown testing of the CADCAF is in progress. Samples of slag and refractory from the Tampa Electric Polk Power Station have been obtained for testing in the CADCAF. The slag has been dried and sieved to the size needed for our flowing slag corrosion tests. Testing is expected to begin in October.

  2. Dynamic Testing of Gasifier Refractory

    SciTech Connect (OSTI)

    Michael D. Mann; Devdutt Shukla; Xi Hong; John P. Hurley

    2004-09-27

    The University of North Dakota (UND) Chemical Engineering Department in conjunction with the UND Energy & Environmental Research Center (EERC) have initiated a program to thoroughly examine the combined chemical (reaction and phase change) and physical (erosion) effects experienced by a variety of refractory materials during both normal operation and thermal cycling under slagging coal gasification conditions. The goal of this work is to devise a mechanism of refractory loss under these conditions. The controlled-atmospheric dynamic corrodent application furnace (CADCAF) is being utilized to simulate refractory/slag interactions under dynamic conditions that more realistically simulate the environment in a slagging coal gasifier than any of the static tests used previously by refractory manufacturers and researchers. Shakedown testing of the CADCAF has been completed. Samples of slag and refractory from the Tampa Electric Polk Power Station have been obtained for testing in the CADCAF. The slag has been dried and sieved to the size needed for our flowing slag corrosion tests. Screening tests are in currently in progress. Detailed analysis of corrosion rates from the first tests is in progress.

  3. Molecular dynamics of membrane proteins.

    SciTech Connect (OSTI)

    Woolf, Thomas B.; Crozier, Paul Stewart; Stevens, Mark Jackson

    2004-10-01

    Understanding the dynamics of the membrane protein rhodopsin will have broad implications for other membrane proteins and cellular signaling processes. Rhodopsin (Rho) is a light activated G-protein coupled receptor (GPCR). When activated by ligands, GPCRs bind and activate G-proteins residing within the cell and begin a signaling cascade that results in the cell's response to external stimuli. More than 50% of all current drugs are targeted toward G-proteins. Rho is the prototypical member of the class A GPCR superfamily. Understanding the activation of Rho and its interaction with its Gprotein can therefore lead to a wider understanding of the mechanisms of GPCR activation and G-protein activation. Understanding the dark to light transition of Rho is fully analogous to the general ligand binding and activation problem for GPCRs. This transition is dependent on the lipid environment. The effect of lipids on membrane protein activity in general has had little attention, but evidence is beginning to show a significant role for lipids in membrane protein activity. Using the LAMMPS program and simulation methods benchmarked under the IBIG program, we perform a variety of allatom molecular dynamics simulations of membrane proteins.

  4. Pynamic: the Python Dynamic Benchmark

    SciTech Connect (OSTI)

    Lee, G L; Ahn, D H; de Supinksi, B R; Gyllenhaal, J C; Miller, P J

    2007-07-10

    Python is widely used in scientific computing to facilitate application development and to support features such as computational steering. Making full use of some of Python's popular features, which improve programmer productivity, leads to applications that access extremely high numbers of dynamically linked libraries (DLLs). As a result, some important Python-based applications severely stress a system's dynamic linking and loading capabilities and also cause significant difficulties for most development environment tools, such as debuggers. Furthermore, using the Python paradigm for large scale MPI-based applications can create significant file IO and further stress tools and operating systems. In this paper, we present Pynamic, the first benchmark program to support configurable emulation of a wide-range of the DLL usage of Python-based applications for large scale systems. Pynamic has already accurately reproduced system software and tool issues encountered by important large Python-based scientific applications on our supercomputers. Pynamic provided insight for our system software and tool vendors, and our application developers, into the impact of several design decisions. As we describe the Pynamic benchmark, we will highlight some of the issues discovered in our large scale system software and tools using Pynamic.

  5. Photodissociation dynamics of hydroxybenzoic acids

    SciTech Connect (OSTI)

    Yang Yilin; Dyakov, Yuri; Lee, Y. T.; Ni, Chi-Kung; Sun Yilun; Hu Weiping

    2011-01-21

    Aromatic amino acids have large UV absorption cross-sections and low fluorescence quantum yields. Ultrafast internal conversion, which transforms electronic excitation energy to vibrational energy, was assumed to account for the photostability of amino acids. Recent theoretical and experimental investigations suggested that low fluorescence quantum yields of phenol (chromophore of tyrosine) are due to the dissociation from a repulsive excited state. Radicals generated from dissociation may undergo undesired reactions. It contradicts the observed photostability of amino acids. In this work, we explored the photodissociation dynamics of the tyrosine chromophores, 2-, 3- and 4-hydroxybenzoic acid in a molecular beam at 193 nm using multimass ion imaging techniques. We demonstrated that dissociation from the excited state is effectively quenched for the conformers of hydroxybenzoic acids with intramolecular hydrogen bonding. Ab initio calculations show that the excited state and the ground state potential energy surfaces change significantly for the conformers with intramolecular hydrogen bonding. It shows the importance of intramolecular hydrogen bond in the excited state dynamics and provides an alternative molecular mechanism for the photostability of aromatic amino acids upon irradiation of ultraviolet photons.

  6. Shock dynamics of phase diagrams

    SciTech Connect (OSTI)

    Moro, Antonio

    2014-04-15

    A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the simplest model that predicts the occurrence of a critical point associated with the gasliquid phase transition. Nevertheless, below the critical temperature theoretical predictions of the van der Waals theory significantly depart from the observed physical behaviour. We develop a novel approach to classical thermodynamics based on the solution of Maxwell relations for a generalised family of nonlocal entropy functions. This theory provides an exact mathematical description of discontinuities of the order parameter within the phase transition region, it explains the universal form of the equations of state and the occurrence of triple points in terms of the dynamics of nonlinear shock wave fronts. -- Highlights: A new generalisation of van der Waals equation of state. Description of phase transitions in terms of shock dynamics of state curves. Proof of the universality of equations of state for a general class of models. Interpretation of triple points as confluence of classical shock waves. Correspondence table between thermodynamics and nonlinear conservation laws.

  7. Dynamical effects in electron spectroscopy

    SciTech Connect (OSTI)

    Zhou, Jianqiang Sky Reshetnyak, Igor; Giorgetti, Christine; Sottile, Francesco; Reining, Lucia; Kas, J. J.; Rehr, J. J.; Sponza, Lorenzo; Guzzo, Matteo; Gatti, Matteo

    2015-11-14

    One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.

  8. Predictive Dynamic Security Assessment through Advanced Computing

    SciTech Connect (OSTI)

    Huang, Zhenyu; Diao, Ruisheng; Jin, Shuangshuang; Chen, Yousu

    2014-11-30

    Abstract— Traditional dynamic security assessment is limited by several factors and thus falls short in providing real-time information to be predictive for power system operation. These factors include the steady-state assumption of current operating points, static transfer limits, and low computational speed. This addresses these factors and frames predictive dynamic security assessment. The primary objective of predictive dynamic security assessment is to enhance the functionality and computational process of dynamic security assessment through the use of high-speed phasor measurements and the application of advanced computing technologies for faster-than-real-time simulation. This paper presents algorithms, computing platforms, and simulation frameworks that constitute the predictive dynamic security assessment capability. Examples of phasor application and fast computation for dynamic security assessment are included to demonstrate the feasibility and speed enhancement for real-time applications.

  9. Dynamical analysis of highly excited molecular spectra

    SciTech Connect (OSTI)

    Kellman, M.E.

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  10. Laser Driven Dynamic Loading of Condensed Matter

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Laser Driven Dynamic Loading of Condensed Matter Laser Driven Dynamic Loading of Condensed Matter Advanced diagnostics of experiments covering many orders of magnitude in strain rate Contact Eric Loomis (505) 665-3196 Email Dynamic materials experiments over a wide range of strain rates are essential to studying constitutive relations (e.g., plasticity), damage (e.g., spall), equations of state, phase transitions and kinetics, and novel materials. The Trident laser facility supplies unique,

  11. Sierra Structural Dynamics Theory Manual

    SciTech Connect (OSTI)

    Reese, Garth M.

    2015-10-19

    Sierra/SD provides a massively parallel implementation of structural dynamics finite element analysis, required for high fidelity, validated models used in modal, vibration, static and shock analysis of structural systems. This manual describes the theory behind many of the constructs in Sierra/SD. For a more detailed description of how to use Sierra/SD , we refer the reader to Sierra/SD, User's Notes . Many of the constructs in Sierra/SD are pulled directly from published material. Where possible, these materials are referenced herein. However, certain functions in Sierra/SD are specific to our implementation. We try to be far more complete in those areas. The theory manual was developed from several sources including general notes, a programmer notes manual, the user's notes and of course the material in the open literature. This page intentionally left blank.

  12. Quantitative Modeling of High Temperature Magnetization Dynamics

    SciTech Connect (OSTI)

    Zhang, Shufeng

    2009-03-01

    Final Technical Report Project title: Quantitative Modeling of High Temperature Magnetization Dynamics DOE/Office of Science Program Manager Contact: Dr. James Davenport

  13. Metastable supersymmetry breaking vacua from conformal dynamics...

    Office of Scientific and Technical Information (OSTI)

    is not R-symmetric, and has a supersymmetric minimum. However, conformal dynamics suppresses several operators along renormalization group flow toward the infrared fixed point. ...

  14. Extrapolating dynamic leidenfrost principles to metallic nanodroplets...

    Office of Scientific and Technical Information (OSTI)

    here we have used classical molecular dynamics simulations to investigate whether Cu ... Publisher: Nature Publishing Group Research Org: Oak Ridge National Laboratory (ORNL), Oak ...

  15. Metastable supersymmetry breaking vacua from conformal dynamics...

    Office of Scientific and Technical Information (OSTI)

    At a high energy scale, the superpotential is not R-symmetric and has a supersymmetric minimum. However, conformal dynamics suppresses several operators along renormalization group ...

  16. Achieving atomistic understanding of solvation dynamics from...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Mechanics and Quantum Mechanical Molecular Mechanics calculations, we have been ... Achieving atomistic understanding of solvation dynamics from X-ray free-electron laser ...

  17. Dynamic Simulators | netl.doe.gov

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    NETL AVESTAR Team and Invensys Collaborate to Develop Dynamic Simulators for Supercritical Pulverized Coal and Natural Gas Combined Cycle Power Plants A screen shot of the new ...

  18. Chiral dynamics and peripheral transverse densities Granados...

    Office of Scientific and Technical Information (OSTI)

    dynamics and peripheral transverse densities Granados, Carlos G. Uppsala University (Sweden); Weiss, Christian JLAB, Newport News, VA (United States) 72 PHYSICS OF ELEMENTARY...

  19. Regional Dynamics Model (REDYN) | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    use the REDYN model to estimate the effects of actions and policies on people and the economy. The REDYN model powers the unique Regional Dynamics Economic Service, an...

  20. Large-Scale Computational Fluid Dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Large-Scale Computational Fluid Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future ...

  1. Theoretical & Experimental Aspects of Controlled Quantum Dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    & Experimental Aspects of Controlled Quantum Dynamics Professor Herschel Rabitz Princeton University Wednesday, March 25, 2015 - 4:15PM MBG AUDITORIUM Refreshments at 4:00PM The...

  2. Lithium electrodeposition dynamics in aprotic electrolyte observed...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Lithium electrodeposition dynamics in aprotic ... the Li plating and stripping processes is needed to enable practical Li-metal batteries. ...

  3. Dynamically Responsive Infrared Window Coatings | Department...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Dynamically Responsive Infrared Window Coatings Addthis 1 of 5 An oxygen plasma etcher is ... Kyle Alvine checks on the progress of the plasma etch. Image: Pacific Northwest National ...

  4. Communication: Quantum molecular dynamics simulation of liquid...

    Office of Scientific and Technical Information (OSTI)

    Communication: Quantum molecular dynamics simulation of liquid para-hydrogen by nuclear and electron wave packet approach Citation Details In-Document Search Title: Communication:...

  5. Combined statistical and dynamical assessment of simulatedvegetation...

    Office of Scientific and Technical Information (OSTI)

    feedback of vegetation cover on subsequent annual precipitation is simulated for the mid-Holocene over North Africa using a fully coupled general circulation model with dynamic ...

  6. Mountain-induced Dynamics Influence Cloud Phase

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    2010-2011 via coordinated projects targeting clouds, precipitation, and dynamics in the Park Range of Colorado. The National Science Foundation sponsored aircraft measurements as...

  7. Dynamics Simulation in a Wave Environment

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    projects in: Offshore Platforms Wave Energy Converters Wind Power 3 Coupled Dynamics (AEGIR Co-simulation Capability) * Interprocess communication using TCPIP sockets for co- ...

  8. Dynamic Provisioning for Terascale Science Applications Using...

    Office of Scientific and Technical Information (OSTI)

    CircuitPacket Technologies and 100G Transmission Systems Citation Details In-Document Search Title: Dynamic Provisioning for Terascale Science Applications Using Hybrid Circuit...

  9. Dynamics of Molecular Clouds: Observations, Simulations, and...

    Office of Scientific and Technical Information (OSTI)

    Simulations, and NIF Experiments Citation Details In-Document Search Title: Dynamics of Molecular Clouds: Observations, Simulations, and NIF Experiments You are ...

  10. Nonequilibrium molecular dynamics simulations of confined fluids...

    Office of Scientific and Technical Information (OSTI)

    A nonequilibrium molecular dynamics (MD) ... in a single simulation upon compression, whereas fluid molecules in the bulk ... for weak fluid -- wall interactions. ...

  11. Dynamic Simulation Nuclear Power Plants

    Energy Science and Technology Software Center (OSTI)

    1992-03-03

    DSNP (Dynamic Simulator for Nuclear Power-Plants) is a system of programs and data files by which a nuclear power plant, or part thereof, can be simulated. The acronym DSNP is used interchangeably for the DSNP language, the DSNP libraries, the DSNP precompiler, and the DSNP document generator. The DSNP language is a special-purpose, block-oriented, digital-simulation language developed to facilitate the preparation of dynamic simulations of a large variety of nuclear power plants. It is amore » user-oriented language that permits the user to prepare simulation programs directly from power plant block diagrams and flow charts by recognizing the symbolic DSNP statements for the appropriate physical components and listing these statements in a logical sequence according to the flow of physical properties in the simulated power plant. Physical components of nuclear power plants are represented by functional blocks, or modules. Many of the more complex components are represented by several modules. The nuclear reactor, for example, has a kinetic module, a power distribution module, a feedback module, a thermodynamic module, a hydraulic module, and a radioactive heat decay module. These modules are stored in DSNP libraries in the form of a DSNP subroutine or function, a block of statements, a macro, or a combination of the above. Basic functional blocks such as integrators, pipes, function generators, connectors, and many auxiliary functions representing properties of materials used in nuclear power plants are also available. The DSNP precompiler analyzes the DSNP simulation program, performs the appropriate translations, inserts the requested modules from the library, links these modules together, searches necessary data files, and produces a simulation program in FORTRAN.« less

  12. Dynamics of polydots: Soft luminescent polymeric nanoparticles

    DOE PAGES-Beta [OSTI]

    Maskey, Sabina; Osti, Naresh C.; Grest, Gary S.; Perahia, Dvora

    2016-03-04

    The conformation and dynamics of luminescent polymers collapsed into nanoparticles or polydots were studied using fully atomistic molecular dynamics (MD) simulations, providing a first insight into their internal dynamics. Controlling the conformation and dynamics of confined polymers is essential for realization of the full potential of polydots in nanomedicine and biotechnology. Specifically, the shape and internal dynamics of polydots that consist of highly rigid dialkyl p-phenylene ethynylene (PPE) are probed as a function of temperature. At room temperature, the polydots are spherical without any correlations between the aromatic rings on the PPE backbone. With increasing temperature, they expand and becomemore » slightly aspherical; however, the polymers remain confined. The coherent dynamic structure factor reveals that the internal motion of the polymer backbone is arrested, and the side chains dominate the internal dynamics of the polydots. Lastly, these new soft nanoparticles retain their overall shape and dynamics over an extended temperature range, and their conformation is tunable via their degree of expansion.« less

  13. Dynamic underground stripping demonstration project

    SciTech Connect (OSTI)

    Newmark, R.L.

    1992-04-01

    LLNL is collaborating with the UC Berkeley College of Engineering to develop and demonstrate a system of thermal remediation techniques for rapid cleanup of localized underground spills. Called dynamic stripping to reflect the rapid and controllable nature of the process, it will combine steam injection, direct electrical heating, and tomographic geophysical imaging in a cleanup of the LLNL gasoline spill. In the first eight months of the project, a Clean Site engineering test was conducted to prove the field application of the techniques. Tests then began on the contaminated site in FY 1992. This report describes the work at the Clean Site, including design and performance criteria, test results, interpretations, and conclusions. We fielded 'a wide range of new designs and techniques, some successful and some not. In this document, we focus on results and performance, lessons learned, and design and operational changes recommended for work at the contaminated site. Each section focuses on a different aspect of the work and can be considered a self-contained contribution.

  14. Capturing Dynamics in the Power Grid: Formulation of Dynamic State Estimation through Data Assimilation

    SciTech Connect (OSTI)

    Zhou, Ning; Huang, Zhenyu; Meng, Da; Elbert, Stephen T.; Wang, Shaobu; Diao, Ruisheng

    2014-03-31

    With the increasing complexity resulting from uncertainties and stochastic variations introduced by intermittent renewable energy sources, responsive loads, mobile consumption of plug-in vehicles, and new market designs, more and more dynamic behaviors are observed in everyday power system operation. To operate a power system efficiently and reliably, it is critical to adopt a dynamic paradigm so that effective control actions can be taken in time. The dynamic paradigm needs to include three fundamental components: dynamic state estimation; look-ahead dynamic simulation; and dynamic contingency analysis (Figure 1). These three components answer three basic questions: where the system is; where the system is going; and how secure the system is against accidents. The dynamic state estimation provides a solid cornerstone to support the other 2 components and is the focus of this study.

  15. Swarm Intelligence for Urban Dynamics Modelling

    SciTech Connect (OSTI)

    Ghnemat, Rawan; Bertelle, Cyrille; Duchamp, Gerard H. E.

    2009-04-16

    In this paper, we propose swarm intelligence algorithms to deal with dynamical and spatial organization emergence. The goal is to model and simulate the developement of spatial centers using multi-criteria. We combine a decentralized approach based on emergent clustering mixed with spatial constraints or attractions. We propose an extension of the ant nest building algorithm with multi-center and adaptive process. Typically, this model is suitable to analyse and simulate urban dynamics like gentrification or the dynamics of the cultural equipment in urban area.

  16. SIAM conference on applications of dynamical systems

    SciTech Connect (OSTI)

    Not Available

    1992-01-01

    A conference (Oct.15--19, 1992, Snowbird, Utah; sponsored by SIAM (Society for Industrial and Applied Mathematics) Activity Group on Dynamical Systems) was held that highlighted recent developments in applied dynamical systems. The main lectures and minisymposia covered theory about chaotic motion, applications in high energy physics and heart fibrillations, turbulent motion, Henon map and attractor, integrable problems in classical physics, pattern formation in chemical reactions, etc. The conference fostered an exchange between mathematicians working on theoretical issues of modern dynamical systems and applied scientists. This two-part document contains abstracts, conference program, and an author index.

  17. Parallel Implementation of Power System Dynamic Simulation

    SciTech Connect (OSTI)

    Jin, Shuangshuang; Huang, Zhenyu; Diao, Ruisheng; Wu, Di; Chen, Yousu

    2013-07-21

    Dynamic simulation of power system transient stability is important for planning, monitoring, operation, and control of electrical power systems. However, modeling the system dynamics and network involves the computationally intensive time-domain solution of numerous differential and algebraic equations (DAE). This results in a transient stability implementation that may not maintain the real-time constraints of an online security assessment. This paper presents a parallel implementation of the dynamic simulation on a high-performance computing (HPC) platform using parallel simulation algorithms and computation architectures. It enables the simulation to run even faster than real time, enabling the look-ahead capability of upcoming stability problems in the power grid.

  18. TRACKING CODE DEVELOPMENT FOR BEAM DYNAMICS OPTIMIZATION

    SciTech Connect (OSTI)

    Yang, L.

    2011-03-28

    Dynamic aperture (DA) optimization with direct particle tracking is a straight forward approach when the computing power is permitted. It can have various realistic errors included and is more close than theoretical estimations. In this approach, a fast and parallel tracking code could be very helpful. In this presentation, we describe an implementation of storage ring particle tracking code TESLA for beam dynamics optimization. It supports MPI based parallel computing and is robust as DA calculation engine. This code has been used in the NSLS-II dynamics optimizations and obtained promising performance.

  19. Dynamics Modelling of Biolistic Gene Guns

    SciTech Connect (OSTI)

    Zhang, M.; Tao, W.; Pianetta, P.A.

    2009-06-04

    The gene transfer process using biolistic gene guns is a highly dynamic process. To achieve good performance, the process needs to be well understood and controlled. Unfortunately, no dynamic model is available in the open literature for analysing and controlling the process. This paper proposes such a model. Relationships of the penetration depth with the helium pressure, the penetration depth with the acceleration distance, and the penetration depth with the micro-carrier radius are presented. Simulations have also been conducted. The results agree well with experimental results in the open literature. The contribution of this paper includes a dynamic model for improving and manipulating performance of the biolistic gene gun.

  20. MECHANICS OF CRACK BRIDGING UNDER DYNAMIC LOADS

    SciTech Connect (OSTI)

    N. SRIDHAR; ET AL

    2001-02-01

    A bridging law for fiber reinforced composites under dynamic crack propagation conditions has been derived. Inertial effects in the mechanism of fiber pullout during dynamic propagation of a bridged crack are critically examined for the first time. By reposing simple shear lag models of pullout as problems of dynamic wave propagation, the effect of the frictional coupling between the fibers and the matrix is accounted for in a fairly straightforward way. The solutions yield the time-dependent relationship between the crack opening displacement and the bridging traction. Engineering criteria and the role of material and geometrical parameters for significant inertial effects are identified.

  1. Anomaly Detection in Dynamic Networks

    SciTech Connect (OSTI)

    Turcotte, Melissa

    2014-10-14

    Anomaly detection in dynamic communication networks has many important security applications. These networks can be extremely large and so detecting any changes in their structure can be computationally challenging; hence, computationally fast, parallelisable methods for monitoring the network are paramount. For this reason the methods presented here use independent node and edge based models to detect locally anomalous substructures within communication networks. As a first stage, the aim is to detect changes in the data streams arising from node or edge communications. Throughout the thesis simple, conjugate Bayesian models for counting processes are used to model these data streams. A second stage of analysis can then be performed on a much reduced subset of the network comprising nodes and edges which have been identified as potentially anomalous in the first stage. The first method assumes communications in a network arise from an inhomogeneous Poisson process with piecewise constant intensity. Anomaly detection is then treated as a changepoint problem on the intensities. The changepoint model is extended to incorporate seasonal behavior inherent in communication networks. This seasonal behavior is also viewed as a changepoint problem acting on a piecewise constant Poisson process. In a static time frame, inference is made on this extended model via a Gibbs sampling strategy. In a sequential time frame, where the data arrive as a stream, a novel, fast Sequential Monte Carlo (SMC) algorithm is introduced to sample from the sequence of posterior distributions of the change points over time. A second method is considered for monitoring communications in a large scale computer network. The usage patterns in these types of networks are very bursty in nature and don’t fit a Poisson process model. For tractable inference, discrete time models are considered, where the data are aggregated into discrete time periods and probability models are fitted to the

  2. Dynamical dipole mode in fusion reactions

    SciTech Connect (OSTI)

    Pierroutsakou, D.; Boiano, A.; Romoli, M.; Martin, B.; Inglima, G.; La Commara, M.; Sandoli, M.; Agodi, C.; Alba, R.; Coniglione, R.; Zoppo, A. Del; Maiolino, C.; Piattelli, P.; Santonocito, D.; Sapienza, P.; Baran, V.; Glodariu, T.; Cardella, G.; De Filippo, E.; Pagano, A.

    2009-05-04

    We investigated the dynamical dipole mode, related with entrance channel charge asymmetry effects, in the {sup 40}Ar+{sup 92}Zr and {sup 36}Ar+{sup 96}Zr fusion reactions at E{sub lab} = 15.1 A and 16 A MeV, respectively. These reactions populate, through entrance channels having different charge asymmetries, a compound nucleus in the A = 126 mass energy region, identical spin distribution at an average excitation energy of about 280 MeV. The compound nucleus average excitation energy and average mass were deduced by the analysis of the light charged particle energy spectra. By studying the {gamma}-ray energy spectra and the {gamma}-ray angular distributions of the considered reactions, the dynamical nature of the prompt radiation related to the dynamical dipole mode was evidenced. The data are compared with calculations based on a collective bremsstrahlung analysis of the reaction dynamics.

  3. Dynamic temperature measurements with embedded optical sensors.

    SciTech Connect (OSTI)

    Dolan, Daniel H.,; Seagle, Christopher T; Ao, Tommy

    2013-10-01

    This report summarizes LDRD project number 151365, %5CDynamic Temperature Measurements with Embedded Optical Sensors%22. The purpose of this project was to develop an optical sensor capable of detecting modest temperature states (<1000 K) with nanosecond time resolution, a recurring diagnostic need in dynamic compression experiments at the Sandia Z machine. Gold sensors were selected because the visible re ectance spectrum of gold varies strongly with temperature. A variety of static and dynamic measurements were performed to assess re ectance changes at di erent temperatures and pressures. Using a minimal optical model for gold, a plausible connection between static calibrations and dynamic measurements was found. With re nements to the model and diagnostic upgrades, embedded gold sensors seem capable of detecting minor (<50 K) temperature changes under dynamic compression.

  4. Chiral dynamics and peripheral transverse densities (Journal...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Chiral dynamics and peripheral transverse densities Citation Details ... Report Number(s): JLAB-THY--13-1763; DOEOR--23177-2641 Journal ID: ISSN 1029-8479; TRN: ...

  5. Single ion dynamics in molten sodium bromide

    SciTech Connect (OSTI)

    Alcaraz, O.; Trullas, J.; Demmel, F.

    2014-12-28

    We present a study on the single ion dynamics in the molten alkali halide NaBr. Quasielastic neutron scattering was employed to extract the self-diffusion coefficient of the sodium ions at three temperatures. Molecular dynamics simulations using rigid and polarizable ion models have been performed in parallel to extract the sodium and bromide single dynamics and ionic conductivities. Two methods have been employed to derive the ion diffusion, calculating the mean squared displacements and the velocity autocorrelation functions, as well as analysing the increase of the line widths of the self-dynamic structure factors. The sodium diffusion coefficients show a remarkable good agreement between experiment and simulation utilising the polarisable potential.

  6. Slow Dynamics of Orbital Domains in Manganite

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Slow Dynamics of Orbital Domains in Manganite Print At the ALS, an international team of researchers has used low-energy coherent x rays to extract new knowledge about the...

  7. Interfacial effects revealed by ultrafast relaxation dynamics...

    Office of Scientific and Technical Information (OSTI)

    Title: Interfacial effects revealed by ultrafast relaxation dynamics in BiFeO 3 YBa 2 Cu 3 O 7 bilayers Authors: Springer, D. ; Nair, Saritha K. ; He, Mi ; Lu, C. L. ; Cheong, S. ...

  8. Molecular dynamics simulation studies of electrolytes andelectrolyte...

    Energy.gov (indexed) [DOE]

    Merit Review and Peer Evaluation Meeting, May 18-22, 2009 -- Washington D.C. es40smith.pdf (4 MB) More Documents & Publications Molecular Dynamics Simulation Studies of ...

  9. A Fast Dynamic Language for Technical Computing Stefan Karpinski...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Fast Dynamic Language for Technical Computing Stefan Karpinski, Jeff Bezanson, Viral B. Shah & Alan Edelman u a l j i Two Language Problem People love dynamic environments for...

  10. Online optimization of storage ring nonlinear beam dynamics ...

    Office of Scientific and Technical Information (OSTI)

    Online optimization of storage ring nonlinear beam dynamics Citation Details In-Document Search Title: Online optimization of storage ring nonlinear beam dynamics Authors: Huang,...

  11. Online optimization of storage ring nonlinear beam dynamics ...

    Office of Scientific and Technical Information (OSTI)

    Online optimization of storage ring nonlinear beam dynamics Citation Details In-Document Search Title: Online optimization of storage ring nonlinear beam dynamics You are...

  12. Monte-Carlo particle dynamics in a variable specific impulse...

    Office of Scientific and Technical Information (OSTI)

    Monte-Carlo particle dynamics in a variable specific impulse magnetoplasma rocket Citation Details In-Document Search Title: Monte-Carlo particle dynamics in a variable specific ...

  13. Ganglion dynamics of Supercritical CO2 in heterogeneous media...

    Office of Scientific and Technical Information (OSTI)

    Ganglion dynamics of Supercritical CO2 in heterogeneous media. Citation Details In-Document Search Title: Ganglion dynamics of Supercritical CO2 in heterogeneous media. Abstract ...

  14. Plant Root Characteristics and Dynamics in Arctic Tundra Ecosystems...

    Office of Scientific and Technical Information (OSTI)

    Dataset: Plant Root Characteristics and Dynamics in Arctic Tundra Ecosystems, 1960-2012 Citation Details In-Document Search Title: Plant Root Characteristics and Dynamics in Arctic...

  15. Equilibration dynamics and conductivity of warm dense hydrogen...

    Office of Scientific and Technical Information (OSTI)

    Equilibration dynamics and conductivity of warm dense hydrogen Citation Details In-Document Search Title: Equilibration dynamics and conductivity of warm dense hydrogen Authors: ...

  16. simulate the dynamic distribution of lithium in the electrode

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    simulate the dynamic distribution of lithium in the electrode - Sandia Energy Energy ... simulate the dynamic distribution of lithium in the electrode HomeTag:simulate the ...

  17. Extreme dynamic compression with a low energy laser pulse (Conference...

    Office of Scientific and Technical Information (OSTI)

    Conference: Extreme dynamic compression with a low energy laser pulse Citation Details In-Document Search Title: Extreme dynamic compression with a low energy laser pulse You ...

  18. RAVEN and Dynamic Probabilistic Risk Assessment: Software overview...

    Office of Scientific and Technical Information (OSTI)

    RAVEN and Dynamic Probabilistic Risk Assessment: Software overview Citation Details In-Document Search Title: RAVEN and Dynamic Probabilistic Risk Assessment: Software overview ...

  19. O2Diesel Corporation formerly Dynamic Ventures | Open Energy...

    Open Energy Information (Open El) [EERE & EIA]

    O2Diesel Corporation formerly Dynamic Ventures Jump to: navigation, search Name: O2Diesel Corporation (formerly Dynamic Ventures) Place: Newark, Delaware Zip: 19713 Product:...

  20. Temperature Dependence of Dynamic Deformation in FCC Metals,...

    Office of Scientific and Technical Information (OSTI)

    Temperature Dependence of Dynamic Deformation in FCC Metals, Aluminum and Invar Citation Details In-Document Search Title: Temperature Dependence of Dynamic Deformation in FCC ...

  1. Interaction and Coalescence of Nanovoids and Dynamic Fracture...

    Office of Scientific and Technical Information (OSTI)

    of Nanovoids and Dynamic Fracture in Silica Glass: Multimiilion-to-Billion Atom Molecular Dynamics Simulations Citation Details In-Document Search Title: Interaction and...

  2. Dynamics of electrical double layer formation in room-temperature...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Dynamics of ... Citation Details In-Document Search Title: Dynamics of ... We report detailed simulation results on the formation ...

  3. ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Fluid Dynamics, January 1999 ITP Chemicals: Technology Roadmap for Computational Fluid Dynamics, January 1999 cfdroadmap.pdf (323.09 KB) More Documents & Publications 3-D ...

  4. General Dynamics and Nissan Case Studies Highlight Benefits of...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    The General Dynamics Ordnance and Tactical Systems case study discusses the company's ... Achieved energy savings under a dynamic energy team drawn from every level of management. ...

  5. All-electrical manipulation of magnetization dynamics in a ferromagnet...

    Office of Scientific and Technical Information (OSTI)

    All-electrical manipulation of magnetization dynamics in a ferromagnet by antiferromagnets ... manipulation of magnetization dynamics in a ferromagnet by antiferromagnets ...

  6. General Dynamics Case Study for Superior Energy Performance ...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Technical Assistance Superior Energy Performance General Dynamics Case Study for Superior Energy Performance General Dynamics Case Study for Superior Energy Performance ...

  7. Quantum effects in the dynamics of deeply supercooled water ...

    Office of Scientific and Technical Information (OSTI)

    Quantum effects in the dynamics of deeply supercooled water Citation Details In-Document Search Title: Quantum effects in the dynamics of deeply supercooled water Authors: Agapov, ...

  8. Chemical Imaging and Dynamical Studies of Reactivity and Emergent...

    Office of Scientific and Technical Information (OSTI)

    Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in Complex ... Title: Chemical Imaging and Dynamical Studies of Reactivity and Emergent Behavior in ...

  9. Jiawei Solarchina Dynamic Green Energy Ltd | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Jiawei Solarchina Dynamic Green Energy Ltd Jump to: navigation, search Name: Jiawei Solarchina Dynamic Green Energy Ltd Place: Shenzhen, Guangdong Province, China Zip: 518001...

  10. PROJECT PROFILE: Dynamic Building Load Control to Facilitate...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Dynamic Building Load Control to Facilitate High Penetration of Solar Photovoltaic Generation (SuNLaMP) PROJECT PROFILE: Dynamic Building Load Control to Facilitate High ...

  11. Future EfficientDynamics with Heat Recovery | Department of Energy

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    Efficient and Dynamic The BMW Group Roadmap for the Application of Thermoelectric Generators Efficient and Dynamic The BMW Group Roadmap for the Application of Thermoelectric ...

  12. Multichannel Kondo Impurity Dynamics in a Majorana Device (Journal...

    Office of Scientific and Technical Information (OSTI)

    Multichannel Kondo Impurity Dynamics in a Majorana Device Title: Multichannel Kondo Impurity Dynamics in a Majorana Device Authors: Altland, A. ; Bri, B. ; Egger, R. ; Tsvelik, ...

  13. Modifications to WRFs dynamical core to improve the treatment...

    Office of Scientific and Technical Information (OSTI)

    Modifications to WRFs dynamical core to improve the treatment of moisture for large-eddy simulations Title: Modifications to WRFs dynamical core to improve the treatment of ...

  14. Sandia Energy - Molecular Dynamics Simulations Predict Fate of...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Molecular Dynamics Simulations Predict Fate of Uranium in Sediments Home Highlights - Energy Research Molecular Dynamics Simulations Predict Fate of Uranium in Sediments Previous...

  15. Driven Skyrmions and Dynamical Transitions in Chiral Magnets...

    Office of Scientific and Technical Information (OSTI)

    Driven Skyrmions and Dynamical Transitions in Chiral Magnets Citation Details In-Document Search Title: Driven Skyrmions and Dynamical Transitions in Chiral Magnets Authors: Lin, ...

  16. Voltage Quench Dynamics of a Kondo System (Journal Article) ...

    Office of Scientific and Technical Information (OSTI)

    Voltage Quench Dynamics of a Kondo System This content will become publicly available on January 18, 2017 Prev Next Title: Voltage Quench Dynamics of a Kondo System Authors: ...

  17. Household Response To Dynamic Pricing Of Electricity: A Survey...

    Open Energy Information (Open El) [EERE & EIA]

    Household Response To Dynamic Pricing Of Electricity: A Survey Of The Experimental Evidence Jump to: navigation, search Tool Summary LAUNCH TOOL Name: Household Response To Dynamic...

  18. Dynamic Fracture Simulations of Explosively Loaded Cylinders

    SciTech Connect (OSTI)

    Arthur, Carly W.; Goto, D. M.

    2015-11-30

    This report documents the modeling results of high explosive experiments investigating dynamic fracture of steel (AerMet® 100 alloy) cylinders. The experiments were conducted at Lawrence Livermore National Laboratory (LLNL) during 2007 to 2008 [10]. A principal objective of this study was to gain an understanding of dynamic material failure through the analysis of hydrodynamic computer code simulations. Two-dimensional and three-dimensional computational cylinder models were analyzed using the ALE3D multi-physics computer code.

  19. Protein Dynamics Hit the Big Screen

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Protein Dynamics Hit the Big Screen Protein Dynamics Hit the Big Screen Now playing at a supercomputer near you: proteins in action June 29, 2005 Contact: Dan Krotz, dakrotz@lbl.gov 06tyrosinekinasechanging.jpg This simulation of a tyrosine kinase reveals how the protein changes shape. Scientists from Berkeley Lab and UC Berkeley are using one the world's most powerful computers to simulate how protein molecules move, rotate, and fold as they carry out life's most fundamental tasks.Although they

  20. Reliable Viscosity Calculation from Equilibrium Molecular Dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Simulations: A Time Decomposition Method - Joint Center for Energy Storage Research July 7, 2015, Research Highlights Reliable Viscosity Calculation from Equilibrium Molecular Dynamics Simulations: A Time Decomposition Method Schematic demonstration of the time decomposition method Scientific Achievement An equilibrium molecular dynamics-based computational method is developed and tested for the reliable calculation of viscosity. Significance and Impact Viscosity is one of the key properties

  1. Final Report: Computational Fluid Dynamics and Combustion Dynamics, February 15, 1995 - February 14, 1998

    SciTech Connect (OSTI)

    Colella, Phillip

    1998-09-22

    The HPCC Grand Challenge Project on Computational Fluid Dynamics and Combustion Dynamics focuses on the development of advanced numerical methodologies for modeling realistic engineering problems in combustion and other areas of fluid dynamics. The project was a collaboration between two DOE Laboratories (LBNL and LANL) and two universities (University of California, Berkeley, and New York University). In this document, we report on the work done under the UC Berkeley portion of the grant.

  2. The Dynamic Analyzer for MPI: the first dynamic analyzer of MPI

    Energy Science and Technology Software Center (OSTI)

    2013-10-31

    DAMPI is a dynamic testing/verification tool that scalably covers non-deterministic interactions of MPI (e.g., sildcard-receives).

  3. Dynamic force matching: A method for constructing dynamical coarse-grained models with realistic time dependence

    SciTech Connect (OSTI)

    Davtyan, Aram; Dama, James F.; Voth, Gregory A.; Andersen, Hans C.

    2015-04-21

    Coarse-grained (CG) models of molecular systems, with fewer mechanical degrees of freedom than an all-atom model, are used extensively in chemical physics. It is generally accepted that a coarse-grained model that accurately describes equilibrium structural properties (as a result of having a well constructed CG potential energy function) does not necessarily exhibit appropriate dynamical behavior when simulated using conservative Hamiltonian dynamics for the CG degrees of freedom on the CG potential energy surface. Attempts to develop accurate CG dynamic models usually focus on replacing Hamiltonian motion by stochastic but Markovian dynamics on that surface, such as Langevin or Brownian dynamics. However, depending on the nature of the system and the extent of the coarse-graining, a Markovian dynamics for the CG degrees of freedom may not be appropriate. In this paper, we consider the problem of constructing dynamic CG models within the context of the Multi-Scale Coarse-graining (MS-CG) method of Voth and coworkers. We propose a method of converting a MS-CG model into a dynamic CG model by adding degrees of freedom to it in the form of a small number of fictitious particles that interact with the CG degrees of freedom in simple ways and that are subject to Langevin forces. The dynamic models are members of a class of nonlinear systems interacting with special heat baths that were studied by Zwanzig [J. Stat. Phys. 9, 215 (1973)]. The properties of the fictitious particles can be inferred from analysis of the dynamics of all-atom simulations of the system of interest. This is analogous to the fact that the MS-CG method generates the CG potential from analysis of equilibrium structures observed in all-atom simulation data. The dynamic models generate a non-Markovian dynamics for the CG degrees of freedom, but they can be easily simulated using standard molecular dynamics programs. We present tests of this method on a series of simple examples that demonstrate that

  4. Temperatures at the Base of the Seismogenic Crust Beneath Long...

    Open Energy Information (Open El) [EERE & EIA]

    the central section of the Phlegrean Fields caldera. Author David P. Hill Published Springer-Verlag Berlin Heidelberg, 1992 DOI Not Provided Check for DOI availability:...

  5. Crust and Upper Mantle P Wave Velocity Structure Beneath Valles...

    Open Energy Information (Open El) [EERE & EIA]

    by mantle-derived melts has occurred. Authors Lee K. Steck, Clifford H. Thurber, Michael C. Fehler, William J. Lutter, Peter M. Roberts, W. Scott Baldridge, Darrik G....

  6. Structure and Stratigraphy Beneath a Young Phreatic Vent: South...

    Open Energy Information (Open El) [EERE & EIA]

    deformation. Authors John C. Eichelberger, Thomas A. Vogel, Leland W. Younker, C. Dan Miller, Grant H. Heiken and Kenneth H. Wohletz Published Journal Journal of Geophysical...

  7. Inferences On The Hydrothermal System Beneath The Resurgent Dome...

    Open Energy Information (Open El) [EERE & EIA]

    of this zone would allow a pressure change induced at distances of several kilometers below the well to be observable within a matter of days. This indicates that...

  8. A Preparation Zone For Volcanic Explosions Beneath Naka-Dake...

    Open Energy Information (Open El) [EERE & EIA]

    activity including a decrease in the level of the lake water, mud eruptions, and red hot glows on the crater wall. Temporal variations in the geomagnetic field observed...

  9. The 1989 Earthquake Swarm Beneath Mammoth Mountain, California...

    Open Energy Information (Open El) [EERE & EIA]

    earthquakes with overlapping coda) and occasional earthquakes with enhanced low-frequency energy; (4) a uniform temporal distribution of the four largest (M 3) events...

  10. Mapping the Hydrothermal System Beneath the Western Moat of Long...

    Open Energy Information (Open El) [EERE & EIA]

    papers or abstracts of papers presented at a two-day symposium held at the Lawrence Berkeley Laboratory (LBL) on 17 and 18 March 1987. Speakers presented a large body of new...

  11. Temporal Velocity Variations beneath the Coso Geothermal Field...

    Open Energy Information (Open El) [EERE & EIA]

    Double Difference Tomography of Compressional and Shear Wave Arrival Times Abstract Microseismic imaging can be an important tool for characterizing geothermal reservoirs....

  12. Melt zones beneath five volcanic complexes in California: an...

    Open Energy Information (Open El) [EERE & EIA]

    Bridge. Related Geothermal Exploration Activities Activities (4) Geothermal Literature Review At Coso Geothermal Area (1984) Geothermal Literature Review At Geysers...

  13. Melt Zones Beneath Five Volcanic Complexes in California: An...

    Open Energy Information (Open El) [EERE & EIA]

    No.: LBL-18232. Related Geothermal Exploration Activities Activities (1) Geothermal Literature Review At Long Valley Caldera Geothermal Area (Goldstein & Flexser, 1984) Areas (1)...

  14. Dynamic Event Tree Analysis Through RAVEN

    SciTech Connect (OSTI)

    A. Alfonsi; C. Rabiti; D. Mandelli; J. Cogliati; R. A. Kinoshita; A. Naviglio

    2013-09-01

    Conventional Event-Tree (ET) based methodologies are extensively used as tools to perform reliability and safety assessment of complex and critical engineering systems. One of the disadvantages of these methods is that timing/sequencing of events and system dynamics is not explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (D-PRA), have been developed. Monte-Carlo (MC) and Dynamic Event Tree (DET) are two of the most widely used D-PRA methodologies to perform safety assessment of Nuclear Power Plants (NPP). In the past two years, the Idaho National Laboratory (INL) has developed its own tool to perform Dynamic PRA: RAVEN (Reactor Analysis and Virtual control ENvironment). RAVEN has been designed in a high modular and pluggable way in order to enable easy integration of different programming languages (i.e., C++, Python) and coupling with other application including the ones based on the MOOSE framework, developed by INL as well. RAVEN performs two main tasks: 1) control logic driver for the new Thermo-Hydraulic code RELAP-7 and 2) post-processing tool. In the first task, RAVEN acts as a deterministic controller in which the set of control logic laws (user defined) monitors the RELAP-7 simulation and controls the activation of specific systems. Moreover, RAVEN also models stochastic events, such as components failures, and performs uncertainty quantification. Such stochastic modeling is employed by using both MC and DET algorithms. In the second task, RAVEN processes the large amount of data generated by RELAP-7 using data-mining based algorithms. This paper focuses on the first task and shows how it is possible to perform the analysis of dynamic stochastic systems using the newly developed RAVEN DET capability. As an example, the Dynamic PRA analysis, using Dynamic Event Tree, of a simplified pressurized water reactor for a Station Black-Out scenario is presented.

  15. Drama in Dynamics: Boom, Splash, and Speed

    SciTech Connect (OSTI)

    Heather Marie Netzloff

    2004-12-19

    The full nature of chemistry and physics cannot be captured by static calculations alone. Dynamics calculations allow the simulation of time-dependent phenomena. This facilitates both comparisons with experimental data and the prediction and interpretation of details not easily obtainable from experiments. Simulations thus provide a direct link between theory and experiment, between microscopic details of a system and macroscopic observed properties. Many types of dynamics calculations exist. The most important distinction between the methods and the decision of which method to use can be described in terms of the size and type of molecule/reaction under consideration and the type and level of accuracy required in the final properties of interest. These considerations must be balanced with available computational codes and resources as simulations to mimic ''real-life'' may require many time steps. As indicated in the title, the theme of this thesis is dynamics. The goal is to utilize the best type of dynamics for the system under study while trying to perform dynamics in the most accurate way possible. As a quantum chemist, this involves some level of first principles calculations by default. Very accurate calculations of small molecules and molecular systems are now possible with relatively high-level ab initio quantum chemistry. For example, a quantum chemical potential energy surface (PES) can be developed ''on-the-fly'' with dynamic reaction path (DRP) methods. In this way a classical trajectory is developed without prior knowledge of the PES. In order to treat solvation processes and the condensed phase, large numbers of molecules are required, especially in predicting bulk behavior. The Effective Fragment Potential (EFP) method for solvation decreases the cost of a fully quantum mechanical calculation by dividing a chemical system into an ab initio region that contains the solute and an ''effective fragment'' region that contains the remaining solvent

  16. Computational simulation of dynamic impact problems

    SciTech Connect (OSTI)

    Muenz, T.W.; Rix, K.S.; Willam, K.J.

    1996-12-31

    Recent advances of computing methods make it possible to examine dynamic failure and complicated contact-impact load scenarios in time and space. The response simulation for these extreme load conditions needs to capture dynamic contact between the impactor and the deformable target and progressive failure in the target. Independently from the impact scenario, two basic approaches may be used to describe the failure process in an appropriate manner, namely the Discrete Failure Approach and the Smeared Failure Approach. In the contribution the dynamic impact of a pendulum test and the failure scenario in notched cylindrical specimens (Charpy-type IZOD test) are examined using the explicit dynamic finite element code DYNA3D. The study focuses on the question, whether the smeared crack approach is able to capture the dynamic failure process using von Mises plasticity with a plastic strain-based failure limiter. The computational results indicate that upon consistent mesh refinement the overall energy dissipation approaches the value observed in laboratory experiments.

  17. Hydrogen bond dynamics in bulk alcohols

    SciTech Connect (OSTI)

    Shinokita, Keisuke; Cunha, Ana V.; Jansen, Thomas L. C.; Pshenichnikov, Maxim S.

    2015-06-07

    Hydrogen-bonded liquids play a significant role in numerous chemical and biological phenomena. In the past decade, impressive developments in multidimensional vibrational spectroscopy and combined molecular dynamicsquantum mechanical simulation have established many intriguing features of hydrogen bond dynamics in one of the fundamental solvents in nature, water. The next class of a hydrogen-bonded liquidalcoholshas attracted much less attention. This is surprising given such important differences between water and alcohols as the imbalance between the number of hydrogen bonds, each molecule can accept (two) and donate (one) and the very presence of the hydrophobic group in alcohols. Here, we use polarization-resolved pump-probe and 2D infrared spectroscopy supported by extensive theoretical modeling to investigate hydrogen bond dynamics in methanol, ethanol, and isopropanol employing the OH stretching mode as a reporter. The sub-ps dynamics in alcohols are similar to those in water as they are determined by similar librational and hydrogen-bond stretch motions. However, lower density of hydrogen bond acceptors and donors in alcohols leads to the appearance of slow diffusion-controlled hydrogen bond exchange dynamics, which are essentially absent in water. We anticipate that the findings herein would have a potential impact on fundamental chemistry and biology as many processes in nature involve the interplay of hydrophobic and hydrophilic groups.

  18. Current scaling of axially radiated power in dynamic hohlraums and dynamic hohlraum load design for ZR.

    SciTech Connect (OSTI)

    Mock, Raymond Cecil; Nash, Thomas J.; Sanford, Thomas W. L.

    2007-03-01

    We present designs for dynamic hohlraum z-pinch loads on the 28 MA, 140 ns driver ZR. The scaling of axially radiated power with current in dynamic hohlraums is reviewed. With adequate stability on ZR this scaling indicates that 30 TW of axially radiated power should be possible. The performance of the dynamic hohlraum load on the 20 MA, 100 ns driver Z is extensively reviewed. The baseline z-pinch load on Z is a nested tungsten wire array imploding onto on-axis foam. Data from a variety of x-ray diagnostics fielded on Z are presented. These diagnostics include x-ray diodes, bolometers, fast x-ray imaging cameras, and crystal spectrometers. Analysis of these data indicates that the peak dynamic radiation temperature on Z is between 250 and 300 eV from a diameter less than 1 mm. Radiation from the dynamic hohlraum itself or from a radiatively driven pellet within the dynamic hohlraum has been used to probe a variety of matter associated with the dynamic hohlraum: the tungsten z-pinch itself, tungsten sliding across the end-on apertures, a titanium foil over the end aperture, and a silicon aerogel end cap. Data showing the existence of asymmetry in radiation emanating from the two ends of the dynamic hohlraum is presented, along with data showing load configurations that mitigate this asymmetry. 1D simulations of the dynamic hohlraum implosion are presented and compared to experimental data. The simulations provide insight into the dynamic hohlraum behavior but are not necessarily a reliable design tool because of the inherently 3D behavior of the imploding nested tungsten wire arrays.

  19. Pion optical potential with Δ dynamics

    SciTech Connect (OSTI)

    Karaoglu, B.; Moniz, Ernest J.

    1986-03-01

    A pion optical potential is constructed which incorporates the Δ dynamics found to be important in Δ-hole analyses of pion scattering from light nuclei. These dynamics include Δ propagation, binding and Pauli blocking, and a Δ spreading potential. We employ a local density approximation for the medium-modified Δ propagator, resulting in a computationally flexible tool for the analysis of pion-nucleus data. We reproduce the Δ-hole results for π-16O scattering satisfactorily. Elastic π±-208Pb scattering is described very well with the same strongly damping spreading potential found for light nuclei. The pion wave functions in the medium are substantially modified by the Δ dynamics.

  20. Dynamic procedure for filtered gyrokinetic simulations

    SciTech Connect (OSTI)

    Morel, P.; Banon Navarro, A.; Albrecht-Marc, M.; Carati, D.; Merz, F.; Goerler, T.; Jenko, F.

    2012-01-15

    Large eddy simulations (LES) of gyrokinetic plasma turbulence are investigated as interesting candidates to decrease the computational cost. A dynamic procedure is implemented in the gene code, allowing for dynamic optimization of the free parameters of the LES models (setting the amplitudes of dissipative terms). Employing such LES methods, one recovers the free energy and heat flux spectra obtained from highly resolved direct numerical simulations. Systematic comparisons are performed for different values of the temperature gradient and magnetic shear, parameters which are of prime importance in ion temperature gradient driven turbulence. Moreover, the degree of anisotropy of the problem, which can vary with parameters, can be adapted dynamically by the method that shows gyrokinetic large eddy simulation to be a serious candidate to reduce numerical cost of gyrokinetic solvers.

  1. The Challenges to Coupling Dynamic Geospatial Models

    SciTech Connect (OSTI)

    Goldstein, N

    2006-06-23

    Many applications of modeling spatial dynamic systems focus on a single system and a single process, ignoring the geographic and systemic context of the processes being modeled. A solution to this problem is the coupled modeling of spatial dynamic systems. Coupled modeling is challenging for both technical reasons, as well as conceptual reasons. This paper explores the benefits and challenges to coupling or linking spatial dynamic models, from loose coupling, where information transfer between models is done by hand, to tight coupling, where two (or more) models are merged as one. To illustrate the challenges, a coupled model of Urbanization and Wildfire Risk is presented. This model, called Vesta, was applied to the Santa Barbara, California region (using real geospatial data), where Urbanization and Wildfires occur and recur, respectively. The preliminary results of the model coupling illustrate that coupled modeling can lead to insight into the consequences of processes acting on their own.

  2. A study of the HEB longitudinal dynamics

    SciTech Connect (OSTI)

    Larson, D.J.

    1993-12-01

    A study of the High Energy Booster (HEB) longitudinal dynamics is presented. Full derivations of ramp dependent longitudinal variables are given. The formulas assume that the input magnetic field and beam longitudinal emittance are known as a function of time, and that either the rf voltage or the rf bucket area are known as a function of time. Once these three inputs are specified, the formulas can be used to calculate values for all other longitudinal dynamics variables. The formulas have been incorporated into a single computer code named ELVIRA: Evaluation of Longitudinal Variables in Relativistic Accelerators. The ELVIRA code is documented here in detail. The ELVIRA code is used under two initial longitudinal emittance assumptions to plot ramp functions for the longitudinal dynamics design of the HEB as of May 5, 1992.

  3. API Requirements for Dynamic Graph Prediction

    SciTech Connect (OSTI)

    Gallagher, B; Eliassi-Rad, T

    2006-10-13

    Given a large-scale time-evolving multi-modal and multi-relational complex network (a.k.a., a large-scale dynamic semantic graph), we want to implement algorithms that discover patterns of activities on the graph and learn predictive models of those discovered patterns. This document outlines the application programming interface (API) requirements for fast prototyping of feature extraction, learning, and prediction algorithms on large dynamic semantic graphs. Since our algorithms must operate on large-scale dynamic semantic graphs, we have chosen to use the graph API developed in the CASC Complex Networks Project. This API is supported on the back end by a semantic graph database (developed by Scott Kohn and his team). The advantages of using this API are (i) we have full-control of its development and (ii) the current API meets almost all of the requirements outlined in this document.

  4. DLFM library tools for large scale dynamic applications

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    DLFM library tools for large scale dynamic applications DLFM library tools for large scale dynamic applications Large scale Python and other dynamic applications may spend huge time at startup. The DLFM library, developed by Mike Davis at Cray, Inc., is a set of functions that can be incorporated into a dynamically-linked application to provide improved performance during the loading of dynamic libraries when running the application at large scale on Edison. To access this library, do module

  5. Application of optimal prediction to molecular dynamics

    SciTech Connect (OSTI)

    Barber IV, John Letherman

    2004-12-01

    Optimal prediction is a general system reduction technique for large sets of differential equations. In this method, which was devised by Chorin, Hald, Kast, Kupferman, and Levy, a projection operator formalism is used to construct a smaller system of equations governing the dynamics of a subset of the original degrees of freedom. This reduced system consists of an effective Hamiltonian dynamics, augmented by an integral memory term and a random noise term. Molecular dynamics is a method for simulating large systems of interacting fluid particles. In this thesis, I construct a formalism for applying optimal prediction to molecular dynamics, producing reduced systems from which the properties of the original system can be recovered. These reduced systems require significantly less computational time than the original system. I initially consider first-order optimal prediction, in which the memory and noise terms are neglected. I construct a pair approximation to the renormalized potential, and ignore three-particle and higher interactions. This produces a reduced system that correctly reproduces static properties of the original system, such as energy and pressure, at low-to-moderate densities. However, it fails to capture dynamical quantities, such as autocorrelation functions. I next derive a short-memory approximation, in which the memory term is represented as a linear frictional force with configuration-dependent coefficients. This allows the use of a Fokker-Planck equation to show that, in this regime, the noise is {delta}-correlated in time. This linear friction model reproduces not only the static properties of the original system, but also the autocorrelation functions of dynamical variables.

  6. PDII- Additional discussion of the dynamic aperture

    SciTech Connect (OSTI)

    Norman M. Gelfand

    2002-07-23

    This note is in the nature of an addition to the dynamic aperture calculations found in the report on the Proton Driver, FERMILAB-TM-2169. A extensive discussion of the Proton Driver lattice, as well as the nomenclature used to describe it can be found in TM-2169. Basically the proposed lattice is a racetrack design with the two arcs joined by two long straight sections. The straight sections are dispersion free. Tracking studies were undertaken with the objective of computing the dynamic aperture for the lattice and some of the results have been incorporated into TM-2169. This note is a more extensive report of those calculations.

  7. Dynamic analysis of tension-leg platforms

    SciTech Connect (OSTI)

    Morgan, J.R.

    1983-01-01

    The dynamic response of tension-leg platforms subjected to wave loading was investigated using a deterministic dynamic analysis. The model employed in this study is based on coupled nonlinear stiffness coefficients and closed form inertia and drag forcing functions derived using Morison's equation. The forcing functions include relative motion behavior between the fluid particles and the structure. These forcing functions are integrated manually thereby avoiding the need for expensive numerical integration. A set of coupled nonlinear differential equations was integrated sequentially in the time domain using the Newmark beta-method. A computer program was developed to simulate the time history response of the platform motion.

  8. Dynamics of capillary condensation in aerogels

    SciTech Connect (OSTI)

    Nomura, R.; Miyashita, W.; Yoneyama, K.; Okuda, Y. [Department of Condensed Matter Physics, Tokyo Institute of Technology, 2-12-1 O-okayama, Meguro, Tokyo 152-8551 (Japan)

    2006-03-15

    Dynamics of capillary condensation of liquid {sup 4}He in various density silica aerogels was investigated systematically. Interfaces were clearly visible when bulk liquid was rapidly sucked into the aerogel. Time evolution of the interface positions was consistent with the Washburn model and their effective pore radii were obtained. Condensation was a single step in a dense aerogel and two steps in a low density aerogel. Crossover between the two types of condensation was observed in an intermediate density aerogel. Variety of the dynamics may be the manifestation of the fractal nature of aerogels which had a wide range of distribution of pore radii.

  9. Adaptive Dynamic Event Tree in RAVEN code

    SciTech Connect (OSTI)

    Alfonsi, Andrea; Rabiti, Cristian; Mandelli, Diego; Cogliati, Joshua Joseph; Kinoshita, Robert Arthur

    2014-11-01

    RAVEN is a software tool that is focused on performing statistical analysis of stochastic dynamic systems. RAVEN has been designed in a high modular and pluggable way in order to enable easy integration of different programming languages (i.e., C++, Python) and coupling with other applications (system codes). Among the several capabilities currently present in RAVEN, there are five different sampling strategies: Monte Carlo, Latin Hyper Cube, Grid, Adaptive and Dynamic Event Tree (DET) sampling methodologies. The scope of this paper is to present a new sampling approach, currently under definition and implementation: an evolution of the DET me

  10. Relaxation dynamics in correlated quantum dots

    SciTech Connect (OSTI)

    Andergassen, S.; Schuricht, D.; Pletyukhov, M.; Schoeller, H.

    2014-12-04

    We study quantum many-body effects on the real-time evolution of the current through quantum dots. By using a non-equilibrium renormalization group approach, we provide analytic results for the relaxation dynamics into the stationary state and identify the microscopic cutoff scales that determine the transport rates. We find rich non-equilibrium physics induced by the interplay of the different energy scales. While the short-time limit is governed by universal dynamics, the long-time behavior features characteristic oscillations as well as an interplay of exponential and power-law decay.

  11. VUV studies of molecular photofragmentation dynamics

    SciTech Connect (OSTI)

    White, M.G.

    1993-12-01

    State-resolved, photoion and photoelectron methods are used to study the neutral fragmentation and ionization dynamics of small molecules relevant to atmospheric and combustion chemistry. Photodissociation and ionization are initiated by coherent VUV radiation and the fragmentation dynamics are extracted from measurements of product rovibronic state distributions, kinetic energies and angular distributions. The general aim of these studies is to investigate the multichannel interactions between the electronic and nuclear motions which determine the evolution of the photoexcited {open_quotes}complex{close_quotes} into the observed asymptotic channels.

  12. Evolution of entanglement under echo dynamics

    SciTech Connect (OSTI)

    Prosen, Tomaz; Znidaric, Marko [Physics Department, FMF, University of Ljubljana, Ljubljana (Slovenia); Seligman, Thomas H. [Centro de Ciencias Fisicas, University of Mexico (UNAM), Cuernavaca (Mexico)

    2003-04-01

    Echo dynamics and fidelity are often used to discuss stability in quantum-information processing and quantum chaos. Yet fidelity yields no information about entanglement, the characteristic property of quantum mechanics. We study the evolution of entanglement in echo dynamics. We find qualitatively different behavior between integrable and chaotic systems on one hand and between random and coherent initial states for integrable systems on the other. For the latter the evolution of entanglement is given by a classical time scale. Analytic results are illustrated numerically in a Jaynes-Cummings model.

  13. Very Large System Dynamics Models - Lessons Learned

    SciTech Connect (OSTI)

    Jacob J. Jacobson; Leonard Malczynski

    2008-10-01

    This paper provides lessons learned from developing several large system dynamics (SD) models. System dynamics modeling practice emphasize the need to keep models small so that they are manageable and understandable. This practice is generally reasonable and prudent; however, there are times that large SD models are necessary. This paper outlines two large SD projects that were done at two Department of Energy National Laboratories, the Idaho National Laboratory and Sandia National Laboratories. This paper summarizes the models and then discusses some of the valuable lessons learned during these two modeling efforts.

  14. QUIESCENT PROMINENCE DYNAMICS OBSERVED WITH THE HINODE SOLAR OPTICAL TELESCOPE. I. TURBULENT UPFLOW PLUMES

    SciTech Connect (OSTI)

    Berger, Thomas E.; Slater, Gregory; Hurlburt, Neal; Shine, Richard; Tarbell, Theodore; Title, Alan; Okamoto, Takenori J.; Ichimoto, Kiyoshi; Katsukawa, Yukio; Magara, Tetsuya; Suematsu, Yoshinori; Shimizu, Toshifumi

    2010-06-20

    Hinode/Solar Optical Telescope (SOT) observations reveal two new dynamic modes in quiescent solar prominences: large-scale (20-50 Mm) 'arches' or 'bubbles' that 'inflate' from below into prominences, and smaller-scale (2-6 Mm) dark turbulent upflows. These novel dynamics are related in that they are always dark in visible-light spectral bands, they rise through the bright prominence emission with approximately constant speeds, and the small-scale upflows are sometimes observed to emanate from the top of the larger bubbles. Here we present detailed kinematic measurements of the small-scale turbulent upflows seen in several prominences in the SOT database. The dark upflows typically initiate vertically from 5 to 10 Mm wide dark cavities between the bottom of the prominence and the top of the chromospheric spicule layer. Small perturbations on the order of 1 Mm or less in size grow on the upper boundaries of cavities to generate plumes up to 4-6 Mm across at their largest widths. All plumes develop highly turbulent profiles, including occasional Kelvin-Helmholtz vortex 'roll-up' of the leading edge. The flows typically rise 10-15 Mm before decelerating to equilibrium. We measure the flowfield characteristics with a manual tracing method and with the Nonlinear Affine Velocity Estimator (NAVE) 'optical flow' code to derive velocity, acceleration, lifetime, and height data for several representative plumes. Maximum initial speeds are in the range of 20-30 km s{sup -1}, which is supersonic for a {approx}10,000 K plasma. The plumes decelerate in the final few Mm of their trajectories resulting in mean ascent speeds of 13-17 km s{sup -1}. Typical lifetimes range from 300 to 1000 s ({approx}5-15 minutes). The area growth rate of the plumes (observed as two-dimensional objects in the plane of the sky) is initially linear and ranges from 20,000 to 30,000 km{sup 2} s{sup -1} reaching maximum projected areas from 2 to 15 Mm{sup 2}. Maximum contrast of the dark flows relative to

  15. Imaging via complete cantilever dynamic detection: General dynamic mode imaging and spectroscopy in scanning probe microscopy

    DOE PAGES-Beta [OSTI]

    Somnath, Suhas; Collins, Liam; Matheson, Michael A.; Sukumar, Sreenivas R.; Kalinin, Sergei V.; Jesse, Stephen

    2016-09-08

    We develop and implement a multifrequency spectroscopy and spectroscopic imaging mode, referred to as general dynamic mode (GDM), that captures the complete spatially- and stimulus dependent information on nonlinear cantilever dynamics in scanning probe microscopy (SPM). GDM acquires the cantilever response including harmonics and mode mixing products across the entire broadband cantilever spectrum as a function of excitation frequency. GDM spectra substitute the classical measurements in SPM, e.g. amplitude and phase in lock-in detection. Here, GDM is used to investigate the response of a purely capacitively driven cantilever. We use information theory techniques to mine the data and verify themore » findings with governing equations and classical lock-in based approaches. We explore the dependence of the cantilever dynamics on the tip–sample distance, AC and DC driving bias. This approach can be applied to investigate the dynamic behavior of other systems within and beyond dynamic SPM. In conclusion, GDM is expected to be useful for separating the contribution of different physical phenomena in the cantilever response and understanding the role of cantilever dynamics in dynamic AFM techniques.« less

  16. Induced topological pressure for topological dynamical systems

    SciTech Connect (OSTI)

    Xing, Zhitao; Chen, Ercai

    2015-02-15

    In this paper, inspired by the article [J. Jaerisch et al., Stochastics Dyn. 14, 1350016, pp. 1-30 (2014)], we introduce the induced topological pressure for a topological dynamical system. In particular, we prove a variational principle for the induced topological pressure.

  17. Estimating the uncertainty in underresolved nonlinear dynamics

    SciTech Connect (OSTI)

    Chorin, Alelxandre; Hald, Ole

    2013-06-12

    The Mori-Zwanzig formalism of statistical mechanics is used to estimate the uncertainty caused by underresolution in the solution of a nonlinear dynamical system. A general approach is outlined and applied to a simple example. The noise term that describes the uncertainty turns out to be neither Markovian nor Gaussian. It is argued that this is the general situation.

  18. Final Report Computational Analysis of Dynamical Systems

    SciTech Connect (OSTI)

    Guckenheimer, John

    2012-05-08

    This is the final report for DOE Grant DE-FG02-93ER25164, initiated in 1993. This grant supported research of John Guckenheimer on computational analysis of dynamical systems. During that period, seventeen individuals received PhD degrees under the supervision of Guckenheimer and over fifty publications related to the grant were produced. This document contains copies of these publications.

  19. Nuclear Reactions and Stellar Evolution: Unified Dynamics

    SciTech Connect (OSTI)

    Bauer, W.; Strother, T.

    2007-10-26

    Motivated by the success of kinetic theory in the description of observables in intermediate and high energy heavy ion collisions, we use kinetic theory to model the dynamics of collapsing iron cores in type II supernova explosions. The algorithms employed to model the collapse, some preliminary results and predictions, and the future of the code are discussed.

  20. On dynamic prices: a clash of beliefs?

    SciTech Connect (OSTI)

    Hanser, Philip Q

    2010-07-15

    While insightful essays have been written regarding the moral appropriateness of dynamic pricing, they have an implicit underlying framework for determining justness and fairness that may not necessarily accord completely with the view promulgated in regard to utility rate setting generally. (author)

  1. Reaction dynamics in polyatomic molecular systems

    SciTech Connect (OSTI)

    Miller, W.H.

    1993-12-01

    The goal of this program is the development of theoretical methods and models for describing the dynamics of chemical reactions, with specific interest for application to polyatomic molecular systems of special interest and relevance. There is interest in developing the most rigorous possible theoretical approaches and also in more approximate treatments that are more readily applicable to complex systems.

  2. Laser spectroscopy and dynamics of transient species

    SciTech Connect (OSTI)

    Clouthier, D.J.

    1993-12-01

    The goal of this program is to study the vibrational and electronic spectra and excited state dynamics of a number of transient sulfur and oxygen species. A variety of supersonic jet techniques, as well as high resolution FT-IR and intracavity dye laser spectroscopy, have been applied to these studies.

  3. Computational fluid dynamics in oil burner design

    SciTech Connect (OSTI)

    Butcher, T.A.

    1997-09-01

    In Computational Fluid Dynamics, the differential equations which describe flow, heat transfer, and mass transfer are approximately solved using a very laborious numerical procedure. Flows of practical interest to burner designs are always turbulent, adding to the complexity of requiring a turbulence model. This paper presents a model for burner design.

  4. Notes on beam dynamics in linear accelerators

    SciTech Connect (OSTI)

    Gluckstern, R.L.

    1980-09-01

    A collection of notes, on various aspects of beam dynamics in linear accelerators, which were produced by the author during five years (1975 to 1980) of consultation for the LASL Accelerator Technology (AT) Division and Medium-Energy Physics (MP) Division is presented.

  5. Static & Dynamic Response of 3D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE3D is a large deformations 3D finite element code used to obtain the resulting displacements and stresses from multi-body static and dynamic structural thermo-mechanics problems with sliding interfaces. Many nonlinear and temperature dependent constitutive models are available.

  6. Order, chaos and nuclear dynamics: An introduction

    SciTech Connect (OSTI)

    Swiatecki, W.J.

    1990-08-01

    This is an introductory lecture illustrating by simple examples the anticipated effect on collective nuclear dynamics of a transition from order to chaos in the motions of nucleons inside an idealized nucleus. The destruction of order is paralleled by a transition from a rubber-like to a honey-like behaviour of the independent-particle nuclear model. 10 refs., 6 figs.

  7. Energy efficiency of a dynamic glazing system

    SciTech Connect (OSTI)

    Lollini, R.; Danza, L.; Meroni, I.

    2010-04-15

    The reduction of air-conditioning energy consumptions is one of the main indicators to act on when improving the energy efficiency in buildings. In the case of advanced technological buildings, a meaningful contribution to the thermal loads and the energy consumptions reduction could depend on the correct configuration and management of the envelope systems. In recent years, the architectural trend toward highly transparent all-glass buildings presents a unique challenge and opportunity to advance the market for emerging, smart, dynamic window and dimmable daylighting control technologies (). A prototype dynamic glazing system was developed and tested at ITC-CNR; it is aimed at actively responding to the external environmental loads. Both an experimental campaign and analyses by theoretical models were carried out, aimed at evaluating the possible configurations depending on different weather conditions in several possible places. Therefore, the analytical models of the building-plant system were defined by using a dynamic energy simulation software (EnergyPlus). The variables that determine the system performance, also influenced by the boundary conditions, were analysed, such as U- and g-value; they concern both the morphology of the envelope system, such as dimensions, shading and glazing type, gap airflow thickness, in-gap airflow rate, and management, in terms of control algorithm parameters tuning fan and shading systems, as a function of the weather conditions. The configuration able to provide the best performances was finally identified by also assessing such performances, integrating the dynamic system in several building types and under different weather conditions. The dynamic envelope system prototype has become a commercial product with some applications in facade systems, curtain walls and windows. The paper describes the methodological approach to prototype development and the main results obtained, including simulations of possible applications on

  8. Quantum effects in unimolecular reaction dynamics

    SciTech Connect (OSTI)

    Gezelter, J.D.

    1995-12-01

    This work is primarily concerned with the development of models for the quantum dynamics of unimolecular isomerization and photodissociation reactions. We apply the rigorous quantum methodology of a Discrete Variable Representation (DVR) with Absorbing Boundary Conditions (ABC) to these models in an attempt to explain some very surprising results from a series of experiments on vibrationally excited ketene. Within the framework of these models, we are able to identify the experimental signatures of tunneling and dynamical resonances in the energy dependence of the rate of ketene isomerization. Additionally, we investigate the step-like features in the energy dependence of the rate of dissociation of triplet ketene to form {sup 3}B{sub 1} CH{sub 2} + {sup 1}{sigma}{sup +} CO that have been observed experimentally. These calculations provide a link between ab initio calculations of the potential energy surfaces and the experimentally observed dynamics on these surfaces. Additionally, we develop an approximate model for the partitioning of energy in the products of photodissociation reactions of large molecules with appreciable barriers to recombination. In simple bond cleavage reactions like CH{sub 3}COCl {yields} CH{sub 3}CO + Cl, the model does considerably better than other impulsive and statistical models in predicting the energy distribution in the products. We also investigate ways of correcting classical mechanics to include the important quantum mechanical aspects of zero-point energy. The method we investigate is found to introduce a number of undesirable dynamical artifacts including a reduction in the above-threshold rates for simple reactions, and a strong mixing of the chaotic and regular energy domains for some model problems. We conclude by discussing some of the directions for future research in the field of theoretical chemical dynamics.

  9. Can the ring polymer molecular dynamics method be interpreted as real time quantum dynamics?

    SciTech Connect (OSTI)

    Jang, Seogjoo; Sinitskiy, Anton V.; Voth, Gregory A.

    2014-04-21

    The ring polymer molecular dynamics (RPMD) method has gained popularity in recent years as a simple approximation for calculating real time quantum correlation functions in condensed media. However, the extent to which RPMD captures real dynamical quantum effects and why it fails under certain situations have not been clearly understood. Addressing this issue has been difficult in the absence of a genuine justification for the RPMD algorithm starting from the quantum Liouville equation. To this end, a new and exact path integral formalism for the calculation of real time quantum correlation functions is presented in this work, which can serve as a rigorous foundation for the analysis of the RPMD method as well as providing an alternative derivation of the well established centroid molecular dynamics method. The new formalism utilizes the cyclic symmetry of the imaginary time path integral in the most general sense and enables the expression of Kubo-transformed quantum time correlation functions as that of physical observables pre-averaged over the imaginary time path. Upon filtering with a centroid constraint function, the formulation results in the centroid dynamics formalism. Upon filtering with the position representation of the imaginary time path integral, we obtain an exact quantum dynamics formalism involving the same variables as the RPMD method. The analysis of the RPMD approximation based on this approach clarifies that an explicit quantum dynamical justification does not exist for the use of the ring polymer harmonic potential term (imaginary time kinetic energy) as implemented in the RPMD method. It is analyzed why this can cause substantial errors in nonlinear correlation functions of harmonic oscillators. Such errors can be significant for general correlation functions of anharmonic systems. We also demonstrate that the short time accuracy of the exact path integral limit of RPMD is of lower order than those for finite discretization of path. The

  10. Exited-state Dynamics of Water-Soluble Polythiophene Derivatives...

    Office of Scientific and Technical Information (OSTI)

    Dynamics of Water-Soluble Polythiophene Derivatives: Temperature and Side-chain Length Effects Citation Details In-Document Search Title: Exited-state Dynamics of Water-Soluble ...

  11. RAVEN, a New Software for Dynamic Risk Analysis (Conference)...

    Office of Scientific and Technical Information (OSTI)

    RAVEN, a New Software for Dynamic Risk Analysis Citation Details In-Document Search Title: RAVEN, a New Software for Dynamic Risk Analysis RAVEN is a generic software driver to ...

  12. OpenAtom -- Ab initio molecular dynamics package

    SciTech Connect (OSTI)

    Roberto Car Mark E. Tuckerman Glenn J. Martyna Nick Nystrom Michael Klein Josep Torrellas Klaus Schulten Jack Dongarra Eric Bohm Abhinav Bhatele Laxmikant Kale Sameer Kumar Anshu Arya Ramprasad Venkataraman

    2008-01-01

    OpenAtom is a highly scalable and portable parallel application for molecular dynamics simulations at the quantum level. It implements the Car-Parrinello ab-initio Molecular Dynamics (CPAIMD) method.

  13. Vortex and structural dynamics of a flexible cylinder in cross...

    Office of Scientific and Technical Information (OSTI)

    Vortex and structural dynamics of a flexible cylinder in cross-flow Citation Details In-Document Search Title: Vortex and structural dynamics of a flexible cylinder in cross-flow A ...

  14. Chombo-Crunch Sinks Its Teeth into Fluid Dynamics

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Chombo-Crunch Sinks Its Teeth into Fluid Dynamics Chombo-Crunch Sinks Its Teeth into Fluid Dynamics Decade of Development Yields Novel Code for Energy, Oil & Gas, Aerospace May 11, ...

  15. Transverse beam dynamics in plasma-based linacs (Conference)...

    Office of Scientific and Technical Information (OSTI)

    Transverse beam dynamics in plasma-based linacs Citation Details In-Document Search Title: Transverse beam dynamics in plasma-based linacs You are accessing a document from the ...

  16. Use of DynamicAggregationProcessor | OpenEI Community

    Open Energy Information (Open El) [EERE & EIA]

    Use of DynamicAggregationProcessor Home > Groups > Databus Hi, I'm trying to understand how the dynamicAggregation works. Do you have an example of URL ? Thank you Alex Submitted...

  17. Dynamical AdS strings across horizons

    DOE PAGES-Beta [OSTI]

    Ishii, Takaaki; Murata, Keiju

    2016-03-01

    We examine the nonlinear classical dynamics of a fundamental string in anti-deSitter spacetime. The string is dual to the flux tube between an external quark-antiquark pair in $N = 4$ super Yang-Mills theory. We perturb the string by shaking the endpoints and compute its time evolution numerically. We find that with sufficiently strong perturbations the string continues extending and plunges into the Poincare´ horizon. In the evolution, effective horizons are also dynamically created on the string worldsheet. The quark and antiquark are thus causally disconnected, and the string transitions to two straight strings. The forces acting on the endpoints vanishmore » with a power law whose slope depends on the perturbations. Lastly, the condition for this transition to occur is that energy injection exceeds the static energy between the quark-antiquark pair.« less

  18. Dynamic simulation gives 20-20 foresight

    SciTech Connect (OSTI)

    Womack, J.W.

    1986-04-07

    Dynamic simulation is being increasingly recognized as a viable tool for system analysis and design. Its use by Mobil Research and Development Corp. (MRDC) has grown steadily. Applications fall into three major categories: Support of major capital projects, mostly in the form of high-fidelity models capable of answering many of the ''what-if'' questions which arise during the engineering design, construction, and commissioning phases of a project; Simulators for operator training, which have been acquired for an increasing fraction of both new and existing facilities over the past 10 years; Solution of operational problems, evaluate process changes, and in debottlenecking studies of existing facilities. A number of dynamic simulations have been done by contractors or system vendors. MRDC involvement was limited to review and/or acceptance of the work. MRDC did not write any of the training simulator programs, for example, although its inputs often influenced their development.

  19. Geographic Visualization of Power-Grid Dynamics

    SciTech Connect (OSTI)

    Sukumar, Sreenivas R.

    2015-06-18

    The visualization enables the simulation analyst to see changes in the frequency through time and space. With this technology, the analyst has a bird's eye view of the frequency at loads and generators as the simulated power system responds to the loss of a generator, spikes in load, and other contingencies. The significance of a contingency to the operation of an electrical power system depends critically on how the resulting tansients evolve in time and space. Consequently, these dynamic events can only be understood when seen in their proper geographic context. this understanding is indispensable to engineers working on the next generation of distributed sensing and control systems for the smart grid. By making possible a natural and intuitive presentation of dynamic behavior, our new visualization technology is a situational-awareness tool for power-system engineers.

  20. Geographic Visualization of Power-Grid Dynamics

    Energy Science and Technology Software Center (OSTI)

    2015-06-18

    The visualization enables the simulation analyst to see changes in the frequency through time and space. With this technology, the analyst has a bird's eye view of the frequency at loads and generators as the simulated power system responds to the loss of a generator, spikes in load, and other contingencies. The significance of a contingency to the operation of an electrical power system depends critically on how the resulting tansients evolve in time andmore » space. Consequently, these dynamic events can only be understood when seen in their proper geographic context. this understanding is indispensable to engineers working on the next generation of distributed sensing and control systems for the smart grid. By making possible a natural and intuitive presentation of dynamic behavior, our new visualization technology is a situational-awareness tool for power-system engineers.« less

  1. Numerical Cosmology: Building a Dynamical Universe

    SciTech Connect (OSTI)

    Garrison, David

    2010-10-11

    In this talk I discuss an often over-looked aspect of most cosmological models, dynamical interactions caused by gravitational waves. I begin by reviewing our current state of cosmological knowledge and gravitational waves. Then, I review work done to understand the nature of primordial magnetic fields. Finally, I combine the ideas of gravitational wave theory and plasma turbulence to develop a new theory of cosmic structure formation. Eventually, this work could help to explain the distribution of mass-energy in the observable universe as well as the anisotropies in the Cosmic Microwave Background without a heavy dependence on dark matter. This work seeks to explain how the dense, hot, turbulent plasma of protons, neutrons, electrons and neutrinos cooled in the presence of gravitational waves to form into structures and develop a statistical mechanics to describe this dynamical system.

  2. Dynamic Line Rating: Research and Policy Evaluation

    SciTech Connect (OSTI)

    Jake P. Gentle; Kurt S. Myers; Michael R. West

    2014-07-01

    Dynamic Line Rating (DLR) is a smart grid technology that allows the rating of electrical conductors to be increased based on local weather conditions. Overhead lines are conventionally given a conservative rating based on worst case scenarios. We demonstrate that observing the conditions in real time leads to additional capacity and safer operation. This paper provides a report of a pioneering scheme in the United States of America in which DLR has been applied. Thereby, we demonstrate that observing the local weather conditions in real time leads to additional capacity and safer operation. Secondly, we discuss limitations involved. In doing so, we arrive at novel insights which will inform and improve future DLR projects. Third, we provide a policy background and discussion to clarify the technology’s potential and identifies barriers to the imminent adoption of dynamic line rating systems. We provide suggestions for regulatory bodies about possible improvements in policy to encourage adoption of this beneficial technology.

  3. Design tools for complex dynamic security systems.

    SciTech Connect (OSTI)

    Byrne, Raymond Harry; Rigdon, James Brian; Rohrer, Brandon Robinson; Laguna, Glenn A.; Robinett, Rush D. III; Groom, Kenneth Neal; Wilson, David Gerald; Bickerstaff, Robert J.; Harrington, John J.

    2007-01-01

    The development of tools for complex dynamic security systems is not a straight forward engineering task but, rather, a scientific task where discovery of new scientific principles and math is necessary. For years, scientists have observed complex behavior but have had difficulty understanding it. Prominent examples include: insect colony organization, the stock market, molecular interactions, fractals, and emergent behavior. Engineering such systems will be an even greater challenge. This report explores four tools for engineered complex dynamic security systems: Partially Observable Markov Decision Process, Percolation Theory, Graph Theory, and Exergy/Entropy Theory. Additionally, enabling hardware technology for next generation security systems are described: a 100 node wireless sensor network, unmanned ground vehicle and unmanned aerial vehicle.

  4. From Entropic Dynamics to Quantum Theory

    SciTech Connect (OSTI)

    Caticha, Ariel

    2009-12-08

    Non-relativistic quantum theory is derived from information codified into an appropriate statistical model. The basic assumption is that there is an irreducible uncertainty in the location of particles so that the configuration space is a statistical manifold. The dynamics then follows from a principle of inference, the method of Maximum Entropy. The concept of time is introduced as a convenient way to keep track of change. The resulting theory resembles both Nelson's stochastic mechanics and general relativity. The statistical manifold is a dynamical entity: its geometry determines the evolution of the probability distribution which, in its turn, reacts back and determines the evolution of the geometry. There is a new quantum version of the equivalence principle: 'osmotic' mass equals inertial mass. Mass and the phase of the wave function are explained as features of purely statistical origin.

  5. The center for multiscale plasma dynamics

    SciTech Connect (OSTI)

    Kevrekidis, Yannis G

    2015-01-20

    This final report describes research performed in Princeton University, led by Professor Yannis G. Kevrekidis, over a period of six years (August 1, 2014 to July 31, 2010, including a one-year, no-cost extension) as part of the Center for Multiscale Plasma Dynamics led by the University of Maryland. The work resulted in the development and implementation of several multiscale algorithms based on the equation-free approach pioneered by the PI, including its applications in plasma dynamics problems. These algoriithms include coarse projective integration and coarse stability/bifurcation computations. In the later stages of the work, new links were made between this multiscale, coarse-graining approach and advances in data mining/machine learning algorithms.

  6. A dynamically reconfigurable data stream processing system

    SciTech Connect (OSTI)

    Nogiec, J.M.; Trombly-Freytag, K.; /Fermilab

    2004-11-01

    This paper describes a component-based framework for data stream processing that allows for configuration, tailoring, and runtime system reconfiguration. The system's architecture is based on a pipes and filters pattern, where data is passed through routes between components. A network of pipes and filters can be dynamically reconfigured in response to a preplanned sequence of processing steps, operator intervention, or a change in one or more data streams. This framework provides several mechanisms supporting dynamic reconfiguration and can be used to build static data stream processing applications such as monitoring or data acquisition systems, as well as self-adjusting systems that can adapt their processing algorithm, presentation layer, or data persistency layer in response to changes in input data streams.

  7. Ultrafast carriers dynamics in filled-skutterudites

    SciTech Connect (OSTI)

    Guo, Liang; Xu, Xianfan; Salvador, James R.

    2015-06-08

    Carrier dynamics of filled-skutterudites, an important class of thermoelectric materials, is investigated using ultrafast optical spectroscopy. By tuning the wavelength of the probe laser, charge transfers at different electronic energy levels are interrogated. Analysis based on the Kramers-Kronig relation explains the complex spectroscopy data, which is mainly due to band filling caused by photo-excited carriers and free carrier absorption. The relaxation time of hot carriers is found to be about 0.4–0.6 ps, depending on the electronic energy level, and the characteristic time for carrier-phonon equilibrium is about 0.95 ps. These studies of carrier dynamics, which fundamentally determines the transport properties of thermoelectric material, can provide guidance for the design of materials.

  8. Dynamic behaviour of a turbocharged diesel engine

    SciTech Connect (OSTI)

    Backhouse, R.; Winterbone, D.E.

    1986-01-01

    The transient behaviour of torque and smoke produced by a turbocharged diesel engine has been measured by frequency response methods, with a sinusoidal peturbation applied to the fuel. A dynamic torque parameter (dmep) has been introduced and the response of this to changes in speed and load can be separated. The dmep also enables the delay associated with torque production to be obtained: this is compared to the widely accepted values. The results have also been analysed to show the relationship between air-fuel ratio and smoke produced during a transient. The conclusion is that the production of smoke under dynamic condition behaves similarly to that under steady running but that it is more dependent on the initial load (air-fuel ratio) level.

  9. Chemical structure and dynamics. Annual report 1995

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1996-05-01

    The Chemical Structure and Dynamics program is a major component of Pacific Northwest National Laboratory`s Environmental Molecular Sciences Laboratory (EMSL), providing a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for the characterization of waste tanks and pollutant distributions, and for detection and monitoring of trace atmospheric species.

  10. Chemical structure and dynamics: Annual report 1996

    SciTech Connect (OSTI)

    Colson, S.D.; McDowell, R.S.

    1997-03-01

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of-the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage; and (3) developing state-of-the-art analytical methods for characterizing waste tanks and pollutant distributions, and for detecting and monitoring trace atmospheric species.

  11. Annual Report 2000. Chemical Structure and Dynamics

    SciTech Connect (OSTI)

    Colson, Steven D.; McDowell, Robin S.

    2001-04-15

    This annual report describes the research and accomplishments of the Chemical Structure and Dynamics Program in the year 2000, one of six research programs at the William R. Wiley Environmental Molecular Sciences Laboratory (EMSL) - a multidisciplinary, national scientific user facility and research organization. The Chemical Structure and Dynamics (CS&D) program is meeting the need for a fundamental, molecular-level understanding by 1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; 2) developing a multidisciplinary capability for describing interfacial chemical processes relevant to environmental chemistry; and 3) developing state-of-the-art research and analytical methods for characterizing complex materials of the types found in natural and contaminated systems.

  12. Dynamic pathways for viral capsid assembly

    SciTech Connect (OSTI)

    Hagan, Michael F.; Chandler, David

    2006-02-09

    We develop a class of models with which we simulate the assembly of particles into T1 capsid-like objects using Newtonian dynamics. By simulating assembly for many different values of system parameters, we vary the forces that drive assembly. For some ranges of parameters, assembly is facile, while for others, assembly is dynamically frustrated by kinetic traps corresponding to malformed or incompletely formed capsids. Our simulations sample many independent trajectories at various capsomer concentrations, allowing for statistically meaningful conclusions. Depending on subunit (i.e., capsomer) geometries, successful assembly proceeds by several mechanisms involving binding of intermediates of various sizes. We discuss the relationship between these mechanisms and experimental evaluations of capsid assembly processes.

  13. Dynamic graph system for a semantic database

    DOE Patents [OSTI]

    Mizell, David

    2015-01-27

    A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

  14. Dynamic graph system for a semantic database

    DOE Patents [OSTI]

    Mizell, David

    2016-04-12

    A method and system in a computer system for dynamically providing a graphical representation of a data store of entries via a matrix interface is disclosed. A dynamic graph system provides a matrix interface that exposes to an application program a graphical representation of data stored in a data store such as a semantic database storing triples. To the application program, the matrix interface represents the graph as a sparse adjacency matrix that is stored in compressed form. Each entry of the data store is considered to represent a link between nodes of the graph. Each entry has a first field and a second field identifying the nodes connected by the link and a third field with a value for the link that connects the identified nodes. The first, second, and third fields represent the rows, column, and elements of the adjacency matrix.

  15. Dynamic thermography of thermite chemical heat sources

    SciTech Connect (OSTI)

    Kelly, M.D.; Mohler, J.H.; Dosser, L.R.

    1983-01-01

    Thermites are solid chemical heat sources that react exothermically by the following equation: Metal/sub 1/ + Metal/sub 2/ Oxide ..-->.. Metal/sub 1/ Oxide + Metal/sub 2/ + Heat. This thermite reaction produces a high calorific output that can be used when a concentrated heat source is required. Dynamic evaluation of the thermal profiles generated during thermite reactions requires infrared thermography. The results of this analysis and the technique involved are discussed.

  16. The dynamical crossover in attractive colloidal systems

    SciTech Connect (OSTI)

    Mallamace, Francesco; Corsaro, Carmelo; Stanley, H. Eugene; Mallamace, Domenico; Chen, Sow-Hsin

    2013-12-07

    We study the dynamical arrest in an adhesive hard-sphere colloidal system. We examine a micellar suspension of the Pluronic-L64 surfactant in the temperature (T) and volume fraction (ϕ) phase diagram. According to mode-coupling theory (MCT), this system is characterized by a cusp-like singularity and two glassy phases: an attractive glass (AG) phase and a repulsive glass (RG) phase. The T − ϕ phase diagram of this system as confirmed by a previous series of scattering data also exhibits a Percolation Threshold (PT) line, a reentrant behavior (AG-liquid-RG), and a glass-to-glass transition. The AG phase can be generated out of the liquid phase by using T and ϕ as control parameters. We utilize viscosity and nuclear magnetic resonance (NMR) techniques. NMR data confirm all the characteristic properties of the colloidal system phase diagram and give evidence of the onset of a fractal-like percolating structure at a precise threshold. The MCT scaling laws used to study the shear viscosity as a function of ϕ and T show in both cases a fragile-to-strong liquid glass-forming dynamic crossover (FSC) located near the percolation threshold where the clustering process is fully developed. These results suggest a larger thermodynamic generality for this phenomenon, which is usually studied only as a function of the temperature. We also find that the critical values of the control parameters, coincident with the PT line, define the locus of the FSC. In the region between the FSC and the glass transition lines the system dynamics are dominated by clustering effects. We thus demonstrate that it is possible, using the conceptual framework provided by extended mode-coupling theory, to describe the way a system approaches dynamic arrest, taking into account both cage and hopping effects.

  17. On sequential dynamical systems and simulation

    SciTech Connect (OSTI)

    Barrett, C.L.; Mortveit, H.S.; Reidys, C.M.

    1999-06-01

    The generic structure of computer simulations motivates a new class of discrete dynamical systems that captures this structure in a mathematically precise way. This class of systems consists of (1) a loopfree graph {Upsilon} with vertex set {l_brace}1,2,{hor_ellipsis},n{r_brace} where each vertex has a binary state, (2) a vertex labeled set of functions (F{sub i,{Upsilon}}:F{sub 2}{sup n} {r_arrow} F{sub 2}{sup n}){sub i} and (3) a permutation {pi} {element_of} S{sub n}. The function F{sub i,{Upsilon}} updates the state of vertex i as a function of the states of vertex i and its {Upsilon}-neighbors and leaves the states of all other vertices fixed. The permutation {pi} represents the update ordering, i.e., the order in which the functions F{sub i,{Upsilon}} are applied. By composing the functions F{sub i,{Upsilon}} in the order given by {pi} one obtains the dynamical system (equation given in paper) which the authors refer to as a sequential dynamical system, or SDS for short. The authors will present bounds for the number of functionally different systems and for the number of nonisomorphic digraphs {Gamma}[F{sub {Upsilon}},{pi}] that can be obtained by varying the update order and applications of these to specific graphs and graph classes. This will be done using both combinatorial/algebraic techniques and probabilistic techniques. Finally the authors give results on dynamical system properties for some special systems.

  18. Fermion dynamical symmetry and identical bands

    SciTech Connect (OSTI)

    Guidry, M. |

    1994-10-01

    Recent general attention has been directed to the phenomenon of identical bands in both normally deformed and superdeformed nuclei. This paper discusses the possibility that such behavior results from a dynamical symmetry of the nuclear many-body system. Phenomenology and the basic principles of Lie algebras are used to place conditions on the acceptable properties of a candidate symmetry. We find that quite general arguments require that such a symmetry have a minimum of 21 generators with a microscopic fermion interpretation.

  19. Materials Science in Radiation and Dynamics Extremes

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    8 Materials Science in Radiation and Dynamics Extremes Our combination of modeling and experimental testing capabilities opens up unparalleled opportunities to do fundamental research leading to physics-based predictive models. Contact Us Group Leader Ellen Cerreta Email Deputy Group Leader Christopher Stanek Email Group Office (505) 665-4735 We predict structure/property relationships of materials, perform computational materials modeling, characterize thermophysical properties, and measure the

  20. Bias in Dynamic Monte Carlo Alpha Calculations

    SciTech Connect (OSTI)

    Sweezy, Jeremy Ed; Nolen, Steven Douglas; Adams, Terry R.; Trahan, Travis John

    2015-02-06

    A 1/N bias in the estimate of the neutron time-constant (commonly denoted as α) has been seen in dynamic neutronic calculations performed with MCATK. In this paper we show that the bias is most likely caused by taking the logarithm of a stochastic quantity. We also investigate the known bias due to the particle population control method used in MCATK. We conclude that this bias due to the particle population control method is negligible compared to other sources of bias.

  1. Dynamic analysis of pressure infiltration processes

    SciTech Connect (OSTI)

    Biswas, D.K.; Gatica, J.E.; Tewari, S.N.

    1995-12-01

    Unidirectional pressure infiltration of porous preforms by molten metal/alloys is investigated in this study. The dynamics of the process is analyzed via the numerical solution of a mathematical model. Comparison against classical asymptotic analyses shows that, for realistic samples, end effects may become important and render asymptotic results unreliable. A comparison with experiments proves the model to be an efficient predictive tool in the analysis of infiltration processes for different preform/melt systems.

  2. Parallel Molecular Dynamics Program for Molecules

    Energy Science and Technology Software Center (OSTI)

    1995-03-07

    ParBond is a parallel classical molecular dynamics code that models bonded molecular systems, typically of an organic nature. It uses classical force fields for both non-bonded Coulombic and Van der Waals interactions and for 2-, 3-, and 4-body bonded (bond, angle, dihedral, and improper) interactions. It integrates Newton''s equation of motion for the molecular system and evaluates various thermodynamical properties of the system as it progresses.

  3. EXTENDED MAGNETOHYDRODYNAMIC MODELING OF PLASMA RELAXATION DYNAMICS

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    EXTENDED MAGNETOHYDRODYNAMIC MODELING OF PLASMA RELAXATION DYNAMICS IN THE REVERSED-FIELD PINCH by Joshua Paul Sauppe A dissertation submitted in partial fulfillment of the requirements for the degree of Doctor of Philosophy (Physics) at the UNIVERSITY OF WISCONSIN-MADISON 2015 Date of final oral examination: 11/23/2015 The dissertation is approved by the following members of the Final Oral Committee: Carl R. Sovinec, Professor, Engineering Physics Chris C. Hegna, Professor, Engineering Physics

  4. Computational fluid dynamics improves liner cementing operation

    SciTech Connect (OSTI)

    Barton, N.A.; Archer, G.L. ); Seymour, D.A. )

    1994-09-26

    The use of computational fluid dynamics (CFD), an analytical tool for studying fluid mechanics, helped plan the successful cementing of a critical liner in a North Sea extended reach well. The results from CFD analysis increased the confidence in the primary cementing of the liner. CFD modeling was used to quantify the effects of increasing the displacement rate and of rotating the liner on the mud flow distribution in the annulus around the liner.

  5. The dynamics of two-phase (gas

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    dynamics of two-phase (gas/ liquid) bubbly flows are complex: bubbles deform and disperse; large latent heats and heat capacity differ- entials influence local boiling; and relatively small changes in heated surface temperatures yield order of magnitude changes in boiling com- plexity. Because the local void vol- ume has a direct feedback effect on reactor neutron flux and fuel rod power production, prediction of local boiling rates and bulk boiling effects in nuclear reactors is key in achiev-

  6. Molecular dynamics modelling of solidification in metals

    SciTech Connect (OSTI)

    Boercker, D.B.; Belak, J.; Glosli, J.

    1997-12-31

    Molecular dynamics modeling is used to study the solidification of metals at high pressure and temperature. Constant pressure MD is applied to a simulation cell initially filled with both solid and molten metal. The solid/liquid interface is tracked as a function of time, and the data are used to estimate growth rates of crystallites at high pressure and temperature in Ta and Mg.

  7. Multifractal properties of ball milling dynamics

    SciTech Connect (OSTI)

    Budroni, M. A. Pilosu, V.; Rustici, M.; Delogu, F.

    2014-06-15

    This work focuses on the dynamics of a ball inside the reactor of a ball mill. We show that the distribution of collisions at the reactor walls exhibits multifractal properties in a wide region of the parameter space defining the geometrical characteristics of the reactor and the collision elasticity. This feature points to the presence of restricted self-organized zones of the reactor walls where the ball preferentially collides and the mechanical energy is mainly dissipated.

  8. 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.

  9. Dynamic Impregnator Reactor System (Poster), NREL (National Renewable...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dynamic Impregnator Reactor System Multifaceted system designed for complex feedstock impregnation and processing Integrated Biorefi nery Research Facility | NREL * Golden, ...

  10. Modal Dynamics of Large Wind Turbines with Different Support Structures

    SciTech Connect (OSTI)

    Bir, G.; Jonkman, J.

    2008-07-01

    This paper presents modal dynamics of floating-platform-supported and monopile-supported offshore wind turbines.

  11. Analysis of the influence of tool dynamics in diamond turning

    SciTech Connect (OSTI)

    Fawcett, S.C.; Luttrell, D.E.; Keltie, R.F.

    1988-12-01

    This report describes the progress in defining the role of machine and interface dynamics on the surface finish in diamond turning. It contains a review of literature from conventional and diamond machining processes relating tool dynamics, material interactions and tool wear to surface finish. Data from experimental measurements of tool/work piece interface dynamics are presented as well as machine dynamics for the DTM at the Center.

  12. LDRD final report : mesoscale modeling of dynamic loading of heterogeneous

    Office of Scientific and Technical Information (OSTI)

    materials. (Technical Report) | SciTech Connect LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Citation Details In-Document Search Title: LDRD final report : mesoscale modeling of dynamic loading of heterogeneous materials. Material response to dynamic loading is often dominated by microstructure (grain structure, porosity, inclusions, defects). An example critically important to Sandia's mission is dynamic strength of polycrystalline metals where

  13. Multivariate volume visualization through dynamic projections

    SciTech Connect (OSTI)

    Liu, Shusen; Wang, Bei; Thiagarajan, Jayaraman J.; Bremer, Peer -Timo; Pascucci, Valerio

    2014-11-01

    We propose a multivariate volume visualization framework that tightly couples dynamic projections with a high-dimensional transfer function design for interactive volume visualization. We assume that the complex, high-dimensional data in the attribute space can be well-represented through a collection of low-dimensional linear subspaces, and embed the data points in a variety of 2D views created as projections onto these subspaces. Through dynamic projections, we present animated transitions between different views to help the user navigate and explore the attribute space for effective transfer function design. Our framework not only provides a more intuitive understanding of the attribute space but also allows the design of the transfer function under multiple dynamic views, which is more flexible than being restricted to a single static view of the data. For large volumetric datasets, we maintain interactivity during the transfer function design via intelligent sampling and scalable clustering. As a result, using examples in combustion and climate simulations, we demonstrate how our framework can be used to visualize interesting structures in the volumetric space.

  14. Dynamics and structure of stretched flames

    SciTech Connect (OSTI)

    Law, C.K.

    1993-12-01

    This program aims to gain fundamental understanding on the structure, geometry, and dynamics of laminar premixed flames, and relate these understanding to the practical issues of flame extinction and stabilization. The underlying fundamental interest here is the recent recognition that the response of premixed flames can be profoundly affected by flame stretch, as manifested by flow nonuniformity, flame curvature, and flame/flow unsteadiness. As such, many of the existing understanding on the behavior of premixed flames need to be qualitatively revised. The research program consists of three major thrusts: (1) detailed experimental and computational mapping of the structure of aerodynamically-strained planar flames, with emphasis on the effects of heat loss, nonequidiffusion, and finite residence time on the flame thickness, extent of incomplete reaction, and the state of extinction. (2) Analytical study of the geometry and dynamics of stretch-affected wrinkled flame sheets in simple configurations, as exemplified by the Bunsen flame and the spatially-periodic flame, with emphasis on the effects of nonlinear stretch, the phenomena of flame cusping, smoothing, and tip opening, and their implications on the structure and burning rate of turbulent flames. (3) Stabilization and blowoff of two-dimensional inverted premixed and stabilization and determining the criteria governing flame blowoff. The research is synergistically conducted through the use of laser-based diagnostics, computational simulation of the flame structure with detailed chemistry and transport, and mathematical analysis of the flame dynamics.

  15. Handbook on dynamics of jointed structures.

    SciTech Connect (OSTI)

    Ames, Nicoli M.; Lauffer, James P.; Jew, Michael D.; Segalman, Daniel Joseph; Gregory, Danny Lynn; Starr, Michael James; Resor, Brian Ray

    2009-07-01

    The problem of understanding and modeling the complicated physics underlying the action and response of the interfaces in typical structures under dynamic loading conditions has occupied researchers for many decades. This handbook presents an integrated approach to the goal of dynamic modeling of typical jointed structures, beginning with a mathematical assessment of experimental or simulation data, development of constitutive models to account for load histories to deformation, establishment of kinematic models coupling to the continuum models, and application of finite element analysis leading to dynamic structural simulation. In addition, formulations are discussed to mitigate the very short simulation time steps that appear to be required in numerical simulation for problems such as this. This handbook satisfies the commitment to DOE that Sandia will develop the technical content and write a Joints Handbook. The content will include: (1) Methods for characterizing the nonlinear stiffness and energy dissipation for typical joints used in mechanical systems and components. (2) The methodology will include practical guidance on experiments, and reduced order models that can be used to characterize joint behavior. (3) Examples for typical bolted and screw joints will be provided.

  16. The 2011 Dynamics of Molecular Collisions Conference

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2011-07-11

    The Dynamics of Molecular Collisions Conference focuses on all aspects of molecular collisions--experimental & theoretical studies of elastic, inelastic, & reactive encounters involving atoms, molecules, ions, clusters, & surfaces--as well as half collisions--photodissociation, photo-induced reaction, & photodesorption. The scientific program for the meeting in 2011 included exciting advances in both the core & multidisciplinary forefronts of the study of molecular collision processes. Following the format of the 2009 meeting, we also invited sessions in special topics that involve interfacial dynamics, novel emerging spectroscopies, chemical dynamics in atmospheric, combustion & interstellar environments, as well as a session devoted to theoretical & experimental advances in ultracold molecular samples. Researchers working inside & outside the traditional core topics of the meeting are encouraged to join the conference. We invite contributions of work that seeks understanding of how inter & intra-molecular forces determine the dynamics of the phenomena under study. In addition to invited oral sessions & contributed poster sessions, the scientific program included a formal session consisting of five contributed talks selected from the submitted poster abstracts. The DMC has distinguished itself by having the Herschbach Medal Symposium as part of the meeting format. This tradition of the Herschbach Medal was first started in the 2007 meeting chaired by David Chandler, based on a generous donation of funds & artwork design by Professor Dudley Herschbach himself. There are two such awards made, one for experimental & one for theoretical contributions to the field of Molecular Collision Dynamics, broadly defined. The symposium is always held on the last night of the meeting & has the awardees are asked to deliver an invited lecture on their work. The 2011 Herschbach Medal was dedicated to the contributions of two long standing leaders in Chemical Physics, Professor

  17. Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations

    SciTech Connect (OSTI)

    Vijaykumar, Adithya; Bolhuis, Peter G.; Rein ten Wolde, Pieter

    2015-12-07

    In many reaction-diffusion processes, ranging from biochemical networks, catalysis, to complex self-assembly, the spatial distribution of the reactants and the stochastic character of their interactions are crucial for the macroscopic behavior. The recently developed mesoscopic Green’s Function Reaction Dynamics (GFRD) method enables efficient simulation at the particle level provided the microscopic dynamics can be integrated out. Yet, many processes exhibit non-trivial microscopic dynamics that can qualitatively change the macroscopic behavior, calling for an atomistic, microscopic description. We propose a novel approach that combines GFRD for simulating the system at the mesoscopic scale where particles are far apart, with a microscopic technique such as Langevin dynamics or Molecular Dynamics (MD), for simulating the system at the microscopic scale where reactants are in close proximity. This scheme defines the regions where the particles are close together and simulated with high microscopic resolution and those where they are far apart and simulated with lower mesoscopic resolution, adaptively on the fly. The new multi-scale scheme, called MD-GFRD, is generic and can be used to efficiently simulate reaction-diffusion systems at the particle level.

  18. Structure and dynamics of cold water super-Earths: the case of occluded CH{sub 4} and its outgassing

    SciTech Connect (OSTI)

    Levi, A.; Podolak, M.; Sasselov, D.

    2014-09-10

    In this work, we study the transport of methane in the external water envelopes surrounding water-rich super-Earths. We investigate the influence of methane on the thermodynamics and mechanics of the water mantle. We find that including methane in the water matrix introduces a new phase (filled ice), resulting in hotter planetary interiors. This effect renders the super-ionic and reticulating phases accessible to the lower ice mantle of relatively low-mass planets (∼5 M{sub E} ) lacking a H/He atmosphere. We model the thermal and structural profile of the planetary crust and discuss five possible crustal regimes which depend on the surface temperature and heat flux. We demonstrate that the planetary crust can be conductive throughout or partly confined to the dissociation curve of methane clathrate hydrate. The formation of methane clathrate in the subsurface is shown to inhibit the formation of a subterranean ocean. This effect results in increased stresses on the lithosphere, making modes of ice plate tectonics possible. The dynamic character of the tectonic plates is analyzed and the ability of this tectonic mode to cool the planet is estimated. The icy tectonic plates are found to be faster than those on a silicate super-Earth. A mid-layer of low viscosity is found to exist between the lithosphere and the lower mantle. Its existence results in a large difference between ice mantle overturn timescales and resurfacing timescales. Resurfacing timescales are found to be 1 Ma for fast plates and 100 Ma for sluggish plates, depending on the viscosity profile and ice mass fraction. Melting beneath spreading centers is required in order to account for the planetary radiogenic heating. The melt fraction is quantified for the various tectonic solutions explored, ranging from a few percent for the fast and thin plates to total melting of the upwelled material for the thick and sluggish plates. Ice mantle dynamics is found to be important for assessing the composition of

  19. Hybrid function projective synchronization in complex dynamical networks

    SciTech Connect (OSTI)

    Wei, Qiang; Wang, Xing-yuan, E-mail: wangxy@dlut.edu.cn; Hu, Xiao-peng [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)] [Faculty of Electronic Information and Electrical Engineering, Dalian University of Technology, Dalian, 116024 (China)

    2014-02-15

    This paper investigates hybrid function projective synchronization in complex dynamical networks. When the complex dynamical networks could be synchronized up to an equilibrium or periodic orbit, a hybrid feedback controller is designed to realize the different component of vector of node could be synchronized up to different desired scaling function in complex dynamical networks with time delay. Hybrid function projective synchronization (HFPS) in complex dynamical networks with constant delay and HFPS in complex dynamical networks with time-varying coupling delay are researched, respectively. Finally, the numerical simulations show the effectiveness of theoretical analysis.

  20. Water dynamics clue to key residues in protein folding

    SciTech Connect (OSTI)

    Gao, Meng [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China)] [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China); Zhu, Huaiqiu, E-mail: hqzhu@pku.edu.cn [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China)] [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China); Yao, Xin-Qiu [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China) [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China); Department of Biophysics, Kyoto University, Sakyo Kyoto 606-8502 (Japan); She, Zhen-Su, E-mail: she@pku.edu.cn [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China)] [State Key Laboratory for Turbulence and Complex Systems, and Department of Biomedical Engineering, and Center for Theoretical Biology, and Center for Protein Science, Peking University, Beijing 100871 (China)

    2010-01-29

    A computational method independent of experimental protein structure information is proposed to recognize key residues in protein folding, from the study of hydration water dynamics. Based on all-atom molecular dynamics simulation, two key residues are recognized with distinct water dynamical behavior in a folding process of the Trp-cage protein. The identified key residues are shown to play an essential role in both 3D structure and hydrophobic-induced collapse. With observations on hydration water dynamics around key residues, a dynamical pathway of folding can be interpreted.

  1. SHORT DYNAMIC FIBRILS IN SUNSPOT CHROMOSPHERES

    SciTech Connect (OSTI)

    Rouppe van der Voort, L.; De la Cruz Rodrguez, J.

    2013-10-10

    Sunspot chromospheres display vigorous oscillatory signatures when observed using chromospheric diagnostics such as the strong Ca II lines and H?. New high-resolution sunspot observations from the Swedish 1 m Solar Telescope show the ubiquitous presence of small-scale, periodic, jet-like features that move up and down. This phenomenon has not been described before. The typical width of these features is about 0.''3 and they display clear parabolic trajectories in space-time diagrams. The maximum extension of the top of the jets is lowest in the umbra, a few 100 km, and progressively longer further away from the umbra in the penumbra, with the longest extending more than 1000 km. These jets resemble the dynamic fibrils found in plage regions but at smaller extensions. Local thermodynamic equilibrium inversion of spectropolarimetric Ca II 8542 observations enabled a comparison of the magnetic field inclination and properties of these short jets. We find that the most extended of these jets also have longer periods and tend to be located in regions with more horizontal magnetic fields. These results are direct observational confirmation of the mechanism of long-period waves propagating along inclined magnetic fields into the solar chromosphere. This mechanism was identified earlier as the driver of dynamic fibrils in plage, part of the mottles in the quiet Sun, and the type I spicules at the limb. The sunspot dynamic fibrils that we report here represent a new class of manifestation of this mechanism, distinct from the transient penumbral and umbral micro-jets reported earlier.

  2. Beam Dynamics Challenges for the ILC

    SciTech Connect (OSTI)

    Kubo, Kiyoshi; Seryi, Andrei; Walker, Nicholas; Wolski, Andy; /Cockcroft Inst. Accel. Sci. Tech.

    2008-02-13

    The International Linear Collider (ILC) is a proposal for 500 GeV center-of-mass electron-positron collider, with a possible upgrade to {approx}1 TeV center-of-mass. At the heart of the ILC are the two {approx}12 km 1.3 GHz superconducting RF (SCRF) linacs which will accelerate the electron and positron beams to an initial maximum energy of 250 GeV each. The Global Design Effort (GDE)--responsible for the world-wide coordination of this uniquely international project--published the ILC Reference Design Report in August of 2007 [1]. The ILC outlined in the RDR design stands on a legacy of over fifteen-years of R&D. The GDE is currently beginning the next step in this ambitious project, namely an Engineering Design phase, which will culminate with the publication of an Engineering Design Report (EDR) in mid-2010. Throughout the history of linear collider development, beam dynamics has played an essential role. In particular, the need for complex computer simulations to predict the performance of the machine has always been crucial, not least because the parameters of the ILC represent in general a large extrapolation from where current machines operate today; many of the critical beam-dynamics features planned for the ILC can ultimately only be truly tested once the ILC has been constructed. It is for this reason that beam dynamics activities will continue to be crucial during the Engineering Design phase, as the available computer power and software techniques allow ever-more complex and realistic models of the machine to be developed. Complementary to the computer simulation efforts are the need for well-designed experiments at beam-test facilities, which--while not necessarily producing a direct demonstration of the ILC-like parameters for the reasons mentioned above--can provide important input and benchmarking for the computer models.

  3. Computational Fluid Dynamics of rising droplets

    SciTech Connect (OSTI)

    Wagner, Matthew; Francois, Marianne M.

    2012-09-05

    The main goal of this study is to perform simulations of droplet dynamics using Truchas, a LANL-developed computational fluid dynamics (CFD) software, and compare them to a computational study of Hysing et al.[IJNMF, 2009, 60:1259]. Understanding droplet dynamics is of fundamental importance in liquid-liquid extraction, a process used in the nuclear fuel cycle to separate various components. Simulations of a single droplet rising by buoyancy are conducted in two-dimensions. Multiple parametric studies are carried out to ensure the problem set-up is optimized. An Interface Smoothing Length (ISL) study and mesh resolution study are performed to verify convergence of the calculations. ISL is a parameter for the interface curvature calculation. Further, wall effects are investigated and checked against existing correlations. The ISL study found that the optimal ISL value is 2.5{Delta}x, with {Delta}x being the mesh cell spacing. The mesh resolution study found that the optimal mesh resolution is d/h=40, for d=drop diameter and h={Delta}x. In order for wall effects on terminal velocity to be insignificant, a conservative wall width of 9d or a nonconservative wall width of 7d can be used. The percentage difference between Hysing et al.[IJNMF, 2009, 60:1259] and Truchas for the velocity profiles vary from 7.9% to 9.9%. The computed droplet velocity and interface profiles are found in agreement with the study. The CFD calculations are performed on multiple cores, using LANL's Institutional High Performance Computing.

  4. Modeling of Reactor Kinetics and Dynamics

    SciTech Connect (OSTI)

    Matthew Johnson; Scott Lucas; Pavel Tsvetkov

    2010-09-01

    In order to model a full fuel cycle in a nuclear reactor, it is necessary to simulate the short time-scale kinetic behavior of the reactor as well as the long time-scale dynamics that occur with fuel burnup. The former is modeled using the point kinetics equations, while the latter is modeled by coupling fuel burnup equations with the kinetics equations. When the equations are solved simultaneously with a nonlinear equation solver, the end result is a code with the unique capability of modeling transients at any time during a fuel cycle.

  5. Laser dynamics with excited-state absorption

    SciTech Connect (OSTI)

    Sanchez, F.; Kellou, A.

    1997-01-01

    The dynamics of a laser with excited-state absorption at the lasing wavelength is theoretically studied. The model is based on the rate equations for a four-level system. The stationary state is analytically calculated, permitting both the investigation of the laser characteristics and linear stability analysis. The latter shows that, in some conditions, the steady state is not stable in a particular range of pumping rates. However, a stable solution is restored for sufficiently high pumping rates. Stable self-pulsing solutions are obtained by numerical integration of the coupled equations. Also, the transient regimes are numerically analyzed. {copyright} 1997 Optical Society of America.

  6. Finite Element Solver for Fission Dynamics

    SciTech Connect (OSTI)

    2015-01-30

    FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, misroscopic framework that only relies on our current knowledge of nuclear forces. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDGCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving the Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.

  7. Beam stability & nonlinear dynamics. Formal report

    SciTech Connect (OSTI)

    Parsa, Z.

    1996-12-31

    his Report includes copies of transparencies and notes from the presentations made at the Symposium on Beam Stability and Nonlinear Dynamics, December 3-5, 1996 at the Institute for Theoretical Physics, University of California, Santa Barbara California, that was made available by the authors. Editing, reduction and changes to the authors contributions were made only to fulfill the printing and publication requirements. We would like to take this opportunity and thank the speakers for their informative presentations and for providing copies of their transparencies and notes for inclusion in this Report.

  8. Dynamic neurotransmitter interactions measured with PET

    SciTech Connect (OSTI)

    Schiffer, W.K.; Dewey, S.L.

    2001-04-02

    Positron emission tomography (PET) has become a valuable interdisciplinary tool for understanding physiological, biochemical and pharmacological functions at a molecular level in living humans, whether in a healthy or diseased state. The utility of tracing chemical activity through the body transcends the fields of cardiology, oncology, neurology and psychiatry. In this, PET techniques span radiochemistry and radiopharmaceutical development to instrumentation, image analysis, anatomy and modeling. PET has made substantial contributions in each of these fields by providing a,venue for mapping dynamic functions of healthy and unhealthy human anatomy. As diverse as the disciplines it bridges, PET has provided insight into an equally significant variety of psychiatric disorders. Using the unique quantitative ability of PET, researchers are now better able to non-invasively characterize normally occurring neurotransmitter interactions in the brain. With the knowledge that these interactions provide the fundamental basis for brain response, many investigators have recently focused their efforts on an examination of the communication between these chemicals in both healthy volunteers and individuals suffering from diseases classically defined as neurotransmitter specific in nature. In addition, PET can measure the biochemical dynamics of acute and sustained drug abuse. Thus, PET studies of neurotransmitter interactions enable investigators to describe a multitude of specific functional interactions in the human brain. This information can then be applied to understanding side effects that occur in response to acute and chronic drug therapy, and to designing new drugs that target multiple systems as opposed to single receptor types. Knowledge derived from PET studies can be applied to drug discovery, research and development (for review, see (Fowler et al., 1999) and (Burns et al., 1999)). Here, we will cover the most substantial contributions of PET to understanding

  9. Dynamic data filtering system and method

    DOE Patents [OSTI]

    Bickford, Randall L; Palnitkar, Rahul M

    2014-04-29

    A computer-implemented dynamic data filtering system and method for selectively choosing operating data of a monitored asset that modifies or expands a learned scope of an empirical model of normal operation of the monitored asset while simultaneously rejecting operating data of the monitored asset that is indicative of excessive degradation or impending failure of the monitored asset, and utilizing the selectively chosen data for adaptively recalibrating the empirical model to more accurately monitor asset aging changes or operating condition changes of the monitored asset.

  10. Optimal bolt preload for dynamic loading

    SciTech Connect (OSTI)

    Duffey, T.A.

    1992-08-01

    A simple spring-mass model is developed for closure bolting systems, including the effects of bolt prestress. An analytical solution is developed for the case of an initially peaked, exponentially decaying internal pressure pulse acting on the closure. The dependence of peak bolt stresses and deflections on bolt prestress level is investigated and an optimal prestress that minimizes peak bolt stress is found in certain cases. Vulnerability curves are developed for bolted-closure systems to provide rapid evaluation of the dynamic capacity of designs for a range in bolt prestress.

  11. Optimal bolt preload for dynamic loading

    SciTech Connect (OSTI)

    Duffey, T.A.

    1992-01-01

    A simple spring-mass model is developed for closure bolting systems, including the effects of bolt prestress. An analytical solution is developed for the case of an initially peaked, exponentially decaying internal pressure pulse acting on the closure. The dependence of peak bolt stresses and deflections on bolt prestress level is investigated and an optimal prestress that minimizes peak bolt stress is found in certain cases. Vulnerability curves are developed for bolted-closure systems to provide rapid evaluation of the dynamic capacity of designs for a range in bolt prestress.

  12. Theoretical studies of chemical reaction dynamics

    SciTech Connect (OSTI)

    Schatz, G.C.

    1993-12-01

    This collaborative program with the Theoretical Chemistry Group at Argonne involves theoretical studies of gas phase chemical reactions and related energy transfer and photodissociation processes. Many of the reactions studied are of direct relevance to combustion; others are selected they provide important examples of special dynamical processes, or are of relevance to experimental measurements. Both classical trajectory and quantum reactive scattering methods are used for these studies, and the types of information determined range from thermal rate constants to state to state differential cross sections.

  13. The QCD dynamics of tetraquark production

    SciTech Connect (OSTI)

    Brodsky, Stanley J.; Lebed, Richard F.

    2015-06-18

    We use the twist dimensions of the operators underlying the dynamical behavior of exclusive production processes as a tool for determining the structure of exotic heavy-quark states such as the Z+c(4430) tetraquark. The resulting counting rules predict distinctive falloffs of the cross sections in center-of-mass energy, thus distinguishing whether the tetraquarks are segregated into di-meson molecules, diquark-antidiquark pairs, or more democratically arranged four-quark states. Additionally, we propose straightforward methods of experimentally producing additional exotic multiquark states.

  14. Electromagnetic imaging of dynamic brain activity

    SciTech Connect (OSTI)

    Mosher, J.; Leahy, R.; Lewis, P.; Lewine, J.; George, J.; Singh, M.

    1991-12-31

    Neural activity in the brain produces weak dynamic electromagnetic fields that can be measured by an array of sensors. Using a spatio-temporal modeling framework, we have developed a new approach to localization of multiple neural sources. This approach is based on the MUSIC algorithm originally developed for estimating the direction of arrival of signals impinging on a sensor array. We present applications of this technique to magnetic field measurements of a phantom and of a human evoked somatosensory response. The results of the somatosensory localization are mapped onto the brain anatomy obtained from magnetic resonance images.

  15. Homolumo gap from dynamical energy levels

    SciTech Connect (OSTI)

    Andric, I.; Jonke, L.; Jurman, D.; Nielsen, H. B.

    2009-11-15

    We introduce a dynamical matrix model where the matrix is interpreted as a Hamiltonian representing interaction of a bosonic system with a single fermion. We show how a system of second-quantized fermions influences the ground state of the whole system by producing a gap between the highest eigenvalue of the occupied single-fermion states and the lowest eigenvalue of the unoccupied single-fermion states. We describe the development of the gap in both the strong and weak coupling regimes, while for the intermediate coupling strength we expect formation of homolumo kinks.

  16. Finite Element Solver for Fission Dynamics

    Energy Science and Technology Software Center (OSTI)

    2015-01-30

    FELIX is a physics computer code used to model fission fragment mass distributions in a fully quantum-mechanical, misroscopic framework that only relies on our current knowledge of nuclear forces. It is an implementation of the time-dependent generator coordinate method (TDGCM), which simulates the dynamics of a collective quantum wave-packet assuming the motion is adiabatic. In typical applications of the TDGCM, the nuclear collective wavepacket is obtained as a superposition of wavefunctions obtained by solving themore » Hartree-Fock-Bogoliubov equations of nuclear density functional theory (DFT). The program calculates at each time step the coefficients of that superposition.« less

  17. Soliton dynamics in modulated Bessel photonic lattices

    SciTech Connect (OSTI)

    Ruelas, Adrian; Lopez-Aguayo, Servando; Gutierrez-Vega, Julio C.

    2010-12-15

    We address the existence and the controlled stability of two-dimensional solitons in modulated Bessel lattices (MBL) induced by a superposition of nondiffracting Bessel beams. We show that variation of the modulation parameter of the lattice and the initial transverse momentum of the soliton significantly modify the behavior of the solitons. We find that, under suitable and well-identified conditions, solitons propagating in the MBL exhibit six regimes of transverse mobility: stationary, oscillatory, rotating, unbounded or escape, transitional, and unstable. These results report propagating solitons that can develop these dynamics of transverse motion.

  18. Injected Beam Dynamics in SPEAR3

    SciTech Connect (OSTI)

    Corbett, Jeff; Fisher, Alan; Huang, Xiaobiao; Safranek, James; Westerman, Stuart; Cheng, Weixing; Mok, Walter; /Unlisted

    2012-06-21

    For the top-off operation it is important to understand the time evolution of charge injected into the storage ring. The large-amplitude horizontal oscillation quickly filaments and decoheres, and in some cases exhibits non-linear x-y coupling before damping to the stored orbit. Similarly, in the longitudinal dimension, any mismatch in beam arrival time, beam energy or phase-space results in damped, non-linear synchrotron oscillations. In this paper we report on measurements of injection beam dynamics in the transverse and longitudinal planes using turn-by-turn BPMs, a fast-gated, image-intensified CCD camera and a Hamamatsu C5680 streak camera.

  19. Optimisation of dynamic behaviour of mechanical structures

    SciTech Connect (OSTI)

    Shi, Y.H.; Esat, I.I.; Zhang, J.J.

    1996-12-31

    Dynamic behavior of structures is significant to engineering design. The strategy and implementation of structural design with minimum vibration amplitude at a specified point have been discussed in the paper. This is to attach and adjust a small mass point on the structure. To get around unwanted local minima rooted from the highly irregular objective function, a pre-search process is designed to complement a classical constrained non-linear programming algorithm, so that the global optimum is located. Remesh of the FEA model is performed with pre-designed templates of isoblockes.

  20. Dynamical properties of disordered systems. Final report

    SciTech Connect (OSTI)

    Orbach, R.L.; Kennel, C.; Cinderella, A.

    1984-05-21

    This final report covers the most recent period of the Office of Navy Research Contract titled DYNAMIC PROPERTIES OF DISORDERED SYSTEMS. During this period, research has been completed on a variety of research problems contained in this ONR Research Proposal. The principal areas of research can be summarized under the following categories: 1) The fractal interpretation of amorphous structures; 2) Non-linear conductivity of low dimensional materials; 3) The effect of anodization on the superconducting transition temperature; 4) The time dependence of the remanent magnetization of spin glasses; and 5) The experimental opportunities for physics at high magnetic fields.

  1. Numerical simulation of undersea cable dynamics

    SciTech Connect (OSTI)

    Ablow, C.M.; Schechter, S.

    1983-01-01

    A fully three-dimensional code has been written to compute the motion of a towed cable. The code is based on a robust and stable finite difference approximation to the differential equations derived from basic dynamics. A 3500-ft cable pulled at 18.5 knots (hr/sup -1/) through a circular turn of 700 yd radius has been computed in about half of the real time of the maneuver. The computed displacements are close to the measured ones; the changes in depth are within 2%.

  2. TIME-VARYING DYNAMICAL STAR FORMATION RATE

    SciTech Connect (OSTI)

    Lee, Eve J.; Chang, Philip; Murray, Norman

    2015-02-10

    We present numerical evidence of dynamic star formation in which the accreted stellar mass grows superlinearly with time, roughly as t {sup 2}. We perform simulations of star formation in self-gravitating hydrodynamic and magnetohydrodynamic turbulence that is continuously driven. By turning the self-gravity of the gas in the simulations on or off, we demonstrate that self-gravity is the dominant physical effect setting the mass accretion rate at early times before feedback effects take over, contrary to theories of turbulence-regulated star formation. We find that gravitational collapse steepens the density profile around stars, generating the power-law tail on what is otherwise a lognormal density probability distribution function. Furthermore, we find turbulent velocity profiles to flatten inside collapsing regions, altering the size-line width relation. This local flattening reflects enhancements of turbulent velocity on small scales, as verified by changes to the velocity power spectra. Our results indicate that gas self-gravity dynamically alters both density and velocity structures in clouds, giving rise to a time-varying star formation rate. We find that a substantial fraction of the gas that forms stars arrives via low-density flows, as opposed to accreting through high-density filaments.

  3. Structure and Dynamics of Colliding Plasma Jets

    DOE PAGES-Beta [OSTI]

    Li, C.; Ryutov, D.; Hu, S.; Rosenberg, M.; Zylstra, A.; Seguin, F.; Frenje, J.; Casey, D.; Gatu Johnson, M.; Manuel, M.; et al

    2013-12-01

    Monoenergetic-proton radiographs of laser-generated, high-Mach-number plasma jets colliding at various angles shed light on the structures and dynamics of these collisions. The observations compare favorably with results from 2D hydrodynamic simulations of multistream plasma jets, and also with results from an analytic treatment of electron flow and magnetic field advection. In collisions of two noncollinear jets, the observed flow structure is similar to the analytic model’s prediction of a characteristic feature with a narrow structure pointing in one direction and a much thicker one pointing in the opposite direction. Spontaneous magnetic fields, largely azimuthal around the colliding jets and generatedmore » by the well-known ∇Te ×∇ne Biermann battery effect near the periphery of the laser spots, are demonstrated to be “frozen in” the plasma (due to high magnetic Reynolds number RM ~5×10⁴) and advected along the jet streamlines of the electron flow. These studies provide novel insight into the interactions and dynamics of colliding plasma jets.« less

  4. Implicit integration methods for dislocation dynamics

    DOE PAGES-Beta [OSTI]

    Gardner, D. J.; Woodward, C. S.; Reynolds, D. R.; Hommes, G.; Aubry, S.; Arsenlis, A.

    2015-01-20

    In dislocation dynamics simulations, strain hardening simulations require integrating stiff systems of ordinary differential equations in time with expensive force calculations, discontinuous topological events, and rapidly changing problem size. Current solvers in use often result in small time steps and long simulation times. Faster solvers may help dislocation dynamics simulations accumulate plastic strains at strain rates comparable to experimental observations. Here, this paper investigates the viability of high order implicit time integrators and robust nonlinear solvers to reduce simulation run times while maintaining the accuracy of the computed solution. In particular, implicit Runge-Kutta time integrators are explored as a waymore » of providing greater accuracy over a larger time step than is typically done with the standard second-order trapezoidal method. In addition, both accelerated fixed point and Newton's method are investigated to provide fast and effective solves for the nonlinear systems that must be resolved within each time step. Results show that integrators of third order are the most effective, while accelerated fixed point and Newton's method both improve solver performance over the standard fixed point method used for the solution of the nonlinear systems.« less

  5. [CII] dynamics in the S140 region

    SciTech Connect (OSTI)

    Dedes, C.; Rllig, M.; Okada, Y.; Ossenkopf, V.; Mookerjea, B.; Collaboration: WADI Team

    2015-01-22

    We report the observation of [C II] emission in a cut through the S140 region together with single pointing observations of several molecular tracers, including hydrides, in key regions of the photon-dominated region (PDR) and molecular cloud [1]. At a distance of 910 pc, a BOV star ionizes the edge of the molecular cloud L1204, creating S140. In addition, the dense molecular cloud hosts a cluster of embedded massive young stellar objects only 75' from the H II region [e.g. 2, 3]. We used HIFI on Herschel to observe [CII] in a strip following the direction of the impinging radiation across the ionisation front and through the cluster of embedded YSOs. With [C II], we can trace the ionising radiation and, together with the molecular tracers such as CO isotopologues and HCO{sup +}, study the dynamical processes in the region. Combining HIFIs high spectral resolution data with ground based molecular data allows us to study the dynamics and excitation conditions both in the ionization front and the dense molecular star forming region and model their physical conditions [4].

  6. Structure and Dynamics of Colliding Plasma Jets

    SciTech Connect (OSTI)

    Li, C.; Ryutov, D.; Hu, S.; Rosenberg, M.; Zylstra, A.; Seguin, F.; Frenje, J.; Casey, D.; Gatu Johnson, M.; Manuel, M.; Rinderknecht, H.; Petrasso, R.; Amendt, P.; Park, H.; Remington, B.; Wilks, S.; Betti, R.; Froula, D.; Knauer, J.; Meyerhofer, D.; Drake, R.; Kuranz, C.; Young, R.; Koenig, M.

    2013-12-01

    Monoenergetic-proton radiographs of laser-generated, high-Mach-number plasma jets colliding at various angles shed light on the structures and dynamics of these collisions. The observations compare favorably with results from 2D hydrodynamic simulations of multistream plasma jets, and also with results from an analytic treatment of electron flow and magnetic field advection. In collisions of two noncollinear jets, the observed flow structure is similar to the analytic model’s prediction of a characteristic feature with a narrow structure pointing in one direction and a much thicker one pointing in the opposite direction. Spontaneous magnetic fields, largely azimuthal around the colliding jets and generated by the well-known ∇Te ×∇ne Biermann battery effect near the periphery of the laser spots, are demonstrated to be “frozen in” the plasma (due to high magnetic Reynolds number RM ~5×10⁴) and advected along the jet streamlines of the electron flow. These studies provide novel insight into the interactions and dynamics of colliding plasma jets.

  7. Schwarz method for earthquake source dynamics

    SciTech Connect (OSTI)

    Badea, Lori Ionescu, Ioan R. Wolf, Sylvie

    2008-04-01

    Dynamic faulting under slip-dependent friction in a linear elastic domain (in-plane and 3D configurations) is considered. The use of an implicit time-stepping scheme (Newmark method) allows much larger values of the time step than the critical CFL time step, and higher accuracy to handle the non-smoothness of the interface constitutive law (slip weakening friction). The finite element form of the quasi-variational inequality is solved by a Schwarz domain decomposition method, by separating the inner nodes of the domain from the nodes on the fault. In this way, the quasi-variational inequality splits into two subproblems. The first one is a large linear system of equations, and its unknowns are related to the mesh nodes of the first subdomain (i.e. lying inside the domain). The unknowns of the second subproblem are the degrees of freedom of the mesh nodes of the second subdomain (i.e. lying on the domain boundary where the conditions of contact and friction are imposed). This nonlinear subproblem is solved by the same Schwarz algorithm, leading to some local nonlinear subproblems of a very small size. Numerical experiments are performed to illustrate convergence in time and space, instability capturing, energy dissipation and the influence of normal stress variations. We have used the proposed numerical method to compute source dynamics phenomena on complex and realistic 2D fault models (branched fault systems)

  8. Dynamical model for light composite fermions

    SciTech Connect (OSTI)

    Derman, E.

    1981-04-01

    A simple dynamical model for the internal structure of the three light lepton and quark generations (..nu../sub e/,e,u,d), (..nu../sub ..mu../,..mu..,c,s), and (..nu../sub tau/,tau,t,b) is proposed. Each generation is constructed of only one fundamental massive generation F=(L-italic/sup 0/,L/sup -/,U,D) with the same (SU/sub 3/)/sub c/ x SU/sub 2/ x U/sub 1/ quantum numbers as the light generations, bound to a core of one or more massive Higgs bosons H, where H is the single physical Higgs boson necessary for spontaneous symmetry breaking in the standard model. For example, e/sup -/=L/sup -/H), ..mu../sup -/=L/sup -/HH), tau/sup -/=L/sup -/HHH). It is shown that the known binding force due to H exchange is attractive and strong enough to produce light bound states. Dynamical calculations for the bound-state composite fermions using the Bethe-Salpeter equation, together with some phenomenological imput, suggest M/sub H/approx.16 TeV and M/sub F/approx.100 GeV. It is likely that such bound states can have properties compatible with the up to now apparently elementary appearance of known fermions, for example, their Dirac magnetic moments and absence of intergeneration radiative decays (such as ..mu -->..e..gamma..). Phenomenological consequences and tests of the model are discussed.

  9. Diffusion Dynamics in a Tevatron Store

    SciTech Connect (OSTI)

    Sen, Tanaji; /Fermilab

    2011-09-01

    A separator failure during a store in 2002 led to a drop in luminosity, to increased emittance growth and to a drop in beam lifetimes. We show that a simple diffusion model can be used to explain the changes in beam lifetimes. Emittance growth of beams when they are in collision occurs due to many sources: beam-beam interactions, magnetic nonlinearities, intra-beam scattering, scattering off the residual gas and possibly others. The dynamics of the emittance growth is complicated and it depends strongly on the tunes. It is not always clear that the dynamics can be described by a diffusion process at all particle amplitudes in each beam. However in one store early in Run II, there was a sudden drop in a separator voltage in the Tevatron and the subsequent enhanced emittance growth and intensity lifetime drop could be described by a simple diffusion model. In this report we analyze the luminosity drop, compare the measured value with the expected drop and analyze the change in beam lifetimes. We show how a simple model of diffusive emittance growth and a change in physical aperture provides a quantitative explanation for the change in lifetimes.

  10. Molecular beam studies of reaction dynamics

    SciTech Connect (OSTI)

    Lee, Y.T.

    1993-12-01

    The major thrust of this research project is to elucidate detailed dynamics of simple elementary reactions that are theoretically important and to unravel the mechanism of complex chemical reactions or photochemical processes that play important roles in many macroscopic processes. Molecular beams of reactants are used to study individual reactive encounters between molecules or to monitor photodissociation events in a collision-free environment. Most of the information is derived from measurement of the product fragment energy, angular, and state distributions. Recent activities are centered on the mechanisms of elementary chemical reactions involving oxygen atoms with unsaturated hydrocarbons, the dynamics of endothermic substitution reactions, the dependence of the chemical reactivity of electronically excited atoms on the alignment of excited orbitals, the primary photochemical processes of polyatomic molecules, intramolecular energy transfer of chemically activated and locally excited molecules, the energetics of free radicals that are important to combustion processes, the infrared-absorption spectra of carbonium ions and hydrated hydronium ions, and bond-selective photodissociation through electric excitation.

  11. Dynamic stall simulation including turbulence modeling

    SciTech Connect (OSTI)

    Allet, A.; Halle, S.; Paraschivoiu, I.

    1995-09-01

    The objective of this study is to investigate the two-dimensional unsteady flow around an airfoil undergoing a Darrieus motion in dynamic stall conditions. For this purpose, a numerical solver based on the solution of the Reynolds-averaged Navier-Stokes equations expressed in a streamfunction-vorticity formulation in a non-inertial frame of reference was developed. The governing equations are solved by the streamline upwind Petrov-Galerkin finite element method (FEM). Temporal discretization is achieved by second-order-accurate finite differences. The resulting global matrix system is linearized by the Newton method and solved by the generalized minimum residual method (GMRES) with an incomplete triangular factorization preconditioning (ILU). Turbulence effects are introduced in the solver by an eddy viscosity model. The investigation centers on an evaluation of the possibilities of several turbulence models, including the algebraic Cebeci-Smith model (CSM) and the nonequilibrium Johnson-King model (JKM). In an effort to predict dynamic stall features on rotating airfoils, first the authors present some testing results concerning the performance of both turbulence models for the flat plate case. Then, computed flow structure together with aerodynamic coefficients for a NACA 0015 airfoil in Darrieus motion under stall conditions are presented.

  12. Implicit integration methods for dislocation dynamics

    SciTech Connect (OSTI)

    Gardner, D. J.; Woodward, C. S.; Reynolds, D. R.; Hommes, G.; Aubry, S.; Arsenlis, A.

    2015-01-20

    In dislocation dynamics simulations, strain hardening simulations require integrating stiff systems of ordinary differential equations in time with expensive force calculations, discontinuous topological events, and rapidly changing problem size. Current solvers in use often result in small time steps and long simulation times. Faster solvers may help dislocation dynamics simulations accumulate plastic strains at strain rates comparable to experimental observations. Here, this paper investigates the viability of high order implicit time integrators and robust nonlinear solvers to reduce simulation run times while maintaining the accuracy of the computed solution. In particular, implicit Runge-Kutta time integrators are explored as a way of providing greater accuracy over a larger time step than is typically done with the standard second-order trapezoidal method. In addition, both accelerated fixed point and Newton's method are investigated to provide fast and effective solves for the nonlinear systems that must be resolved within each time step. Results show that integrators of third order are the most effective, while accelerated fixed point and Newton's method both improve solver performance over the standard fixed point method used for the solution of the nonlinear systems.

  13. Static and Dynamic Criticality: Are They Different?

    SciTech Connect (OSTI)

    Cullen, D E; Clouse, C J; Procassini, R; Little, R C

    2003-12-12

    Let us start by stating that this paper does not contain anything new. It only contains material that has been known for decades, but which is periodically forgotten. As such this paper is intended merely to refresh people's memories. We will also mention that this paper is an example of the occasional discrepancy between textbook methodologies and real world applications, in the sense that the conclusions reached here contradict what it says in most textbooks, i.e., most textbooks incorrectly interpret the methods presented here, particularly with respect to the use of importance sampling to maintain population control. This paper is not intended as a general tutorial on criticality calculations. It is intended only to clarify the accuracy of various methods for solving criticality problems, such as a true time dependent dynamic calculation, versus an alpha or K static calculation. In particular, we address the long standing controversy between users of the TART code [1] with the dynamic method, and users of the MCNP code [2] with the alpha static method. In this paper we will prove which methods are accurate and inaccurate.

  14. Optical techniques for determining dynamic material properties

    SciTech Connect (OSTI)

    Paisley, D.L.; Stahl, D.B.

    1996-12-31

    Miniature plates are laser-launched with a 10-Joule Nd:YAG for one-dimensional (1-D) impacts on to target materials much like gas gun experiments and explosive plane wave plate launch. By making the experiments small, flyer plates (3 mm diameter x 50 micron thick) and targets (10 mm diameter x 200 micron thick), 1-D impact experiments can be performed in a standard laser-optical laboratory with minimum confinement and collateral damage. The laser-launched plates do not require the traditional sabot on gas guns nor the explosives needed for explosive planewave lenses, and as a result are much more amenable to a wide variety of materials and applications. Because of the small size very high pressure gradients can be generated with relative ease. The high pressure gradients result in very high strains and strain rates that are not easily generated by other experimental methods. The small size and short shock duration (1 - 20 ns) are ideal for dynamically measuring bond strengths of micron-thick coatings. Experimental techniques, equipment, and dynamic material results are reported.

  15. Dynamically stable magnetic suspension/bearing system

    DOE Patents [OSTI]

    Post, Richard F.

    1996-01-01

    A magnetic bearing system contains magnetic subsystems which act together to support a rotating element in a state of dynamic equilibrium. However, owing to the limitations imposed by Earnshaw's Theorem, the magnetic bearing systems to be described do not possess a stable equilibrium at zero rotational speed. Therefore, mechanical stabilizers are provided, in each case, to hold the suspended system in equilibrium until its speed has exceeded a low critical speed where dynamic effects take over, permitting the achievement of a stable equilibrium for the rotating object. A state of stable equilibrium is achieved above a critical speed by use of a collection of passive elements using permanent magnets to provide their magnetomotive excitation. The magnetic forces exerted by these elements, when taken together, levitate the rotating object in equilibrium against external forces, such as the force of gravity or forces arising from accelerations. At the same time, this equilibrium is made stable against displacements of the rotating object from its equilibrium position by using combinations of elements that possess force derivatives of such magnitudes and signs that they can satisfy the conditions required for a rotating body to be stably supported by a magnetic bearing system over a finite range of those displacements.

  16. Dynamically stable magnetic suspension/bearing system

    DOE Patents [OSTI]

    Post, R.F.

    1996-02-27

    A magnetic bearing system contains magnetic subsystems which act together to support a rotating element in a state of dynamic equilibrium. However, owing to the limitations imposed by Earnshaw`s Theorem, the magnetic bearing systems to be described do not possess a stable equilibrium at zero rotational speed. Therefore, mechanical stabilizers are provided, in each case, to hold the suspended system in equilibrium until its speed has exceeded a low critical speed where dynamic effects take over, permitting the achievement of a stable equilibrium for the rotating object. A state of stable equilibrium is achieved above a critical speed by use of a collection of passive elements using permanent magnets to provide their magnetomotive excitation. The magnetic forces exerted by these elements, when taken together, levitate the rotating object in equilibrium against external forces, such as the force of gravity or forces arising from accelerations. At the same time, this equilibrium is made stable against displacements of the rotating object from its equilibrium position by using combinations of elements that possess force derivatives of such magnitudes and signs that they can satisfy the conditions required for a rotating body to be stably supported by a magnetic bearing system over a finite range of those displacements. 32 figs.

  17. Nonadiabatic Excited-State Molecular Dynamics Modeling of Photoinduced Dynamics in Conjugated Molecules

    SciTech Connect (OSTI)

    Nelson, Tammie; Fernandez-Alberti, Sebastian; Chernyak, Vladimir; Roitberg, Adrian E.; Tretiak, Sergei

    2011-01-10

    Nonadiabatic dynamics generally defines the entire evolution of electronic excitations in optically active molecular materials. It is commonly associated with a number of fundamental and complex processes such as intraband relaxation, energy transfer, and light harvesting influenced by the spatial evolution of excitations and transformation of photoexcitation energy into electrical energy via charge separation (e.g., charge injection at interfaces). To treat ultrafast excited-state dynamics and exciton/charge transport we have developed a nonadiabatic excited-state molecular dynamics (NA-ESMD) framework incorporating quantum transitions. Our calculations rely on the use of the Collective Electronic Oscillator (CEO) package accounting for many-body effects and actual potential energy surfaces of the excited states combined with Tully’s fewest switches algorithm for surface hopping for probing nonadiabatic processes. This method is applied to model the photoinduced dynamics of distyrylbenzene (a small oligomer of polyphenylene vinylene, PPV). Our analysis shows intricate details of photoinduced vibronic relaxation and identifies specific slow and fast nuclear motions that are strongly coupled to the electronic degrees of freedom, namely, torsion and bond length alternation, respectively. Nonadiabatic relaxation of the highly excited mA{sub g} state is predicted to occur on a femtosecond time scale at room temperature and on a picosecond time scale at low temperature.

  18. Restoration of the Potosi Dynamic Model 2010

    SciTech Connect (OSTI)

    Adushita, Yasmin; Leetaru, Hannes

    2014-09-30

    In topical Report DOE/FE0002068-1 [2] technical performance evaluations on the Cambrian Potosi Formation were performed through reservoir modeling. The data included formation tops from mud logs, well logs from the VW1 and the CCS1 wells, structural and stratigraphic formation from three dimensional (3D) seismic data, and field data from several waste water injection wells for Potosi Formation. Intention was for two million tons per annum (MTPA) of CO2 to be injected for 20 years. In this Task the 2010 Potosi heterogeneous model (referred to as the "Potosi Dynamic Model 2010" in this report) was re-run using a new injection scenario; 3.2 MTPA for 30 years. The extent of the Potosi Dynamic Model 2010, however, appeared too small for the new injection target. It was not sufficiently large enough to accommodate the evolution of the plume. Also, it might have overestimated the injection capacity by enhancing too much the pressure relief due to the relatively close proximity between the injector and the infinite acting boundaries. The new model, Potosi Dynamic Model 2013a, was built by extending the Potosi Dynamic Model 2010 grid to 30 miles x 30 miles (48 km by 48 km), while preserving all property modeling workflows and layering. This model was retained as the base case. Potosi Dynamic Model 2013.a gives an average CO2 injection rate of 1.4 MTPA and cumulative injection of 43 Mt in 30 years, which corresponds to 45% of the injection target. This implies that according to this preliminary model, a minimum of three (3) wells could be required to achieve the injection target. The injectivity evaluation of the Potosi formation will be revisited in topical Report 15 during which more data will be integrated in the modeling exercise. A vertical flow performance evaluation could be considered for the succeeding task to determine the appropriate tubing size, the required injection tubing head pressure (THP) and to investigate whether the corresponding well injection rate

  19. MATHEMATICAL MODELS OF HYSTERESIS (DYNAMIC PROBLEMS IN HYSTERESIS)

    SciTech Connect (OSTI)

    Professor Isaak Mayergoyz

    2006-08-21

    This research has further advanced the current state of the art in the areas of dynamic aspects of hysteresis and nonlinear large scale magnetization dynamics. The results of this research will find important engineering applications in the areas of magnetic data storage technology and the emerging technology of “spintronics”. Our research efforts have been focused on the following tasks: • Study of fast (pulse) precessional switching of magnetization in magnetic materials. • Analysis of critical fields and critical angles for precessional switching of magnetization. • Development of inverse problem approach to the design of magnetic field pulses for precessional switching of magnetization. • Study of magnetization dynamics induced by spin polarized current injection. • Construction of complete stability diagrams for spin polarized current induced magnetization dynamics. • Development of the averaging technique for the analysis of the slow time scale magnetization dynamics. • Study of thermal effects on magnetization dynamics by using the theory of stochastic processes on graphs.

  20. Rotational Brownian Dynamics simulations of clathrin cage formation

    SciTech Connect (OSTI)

    Ilie, Ioana M.; Briels, Wim J.; Otter, Wouter K. den

    2014-08-14

    The self-assembly of nearly rigid proteins into ordered aggregates is well suited for modeling by the patchy particle approach. Patchy particles are traditionally simulated using Monte Carlo methods, to study the phase diagram, while Brownian Dynamics simulations would reveal insights into the assembly dynamics. However, Brownian Dynamics of rotating anisotropic particles gives rise to a number of complications not encountered in translational Brownian Dynamics. We thoroughly test the Rotational Brownian Dynamics scheme proposed by Naess and Elsgaeter [Macromol. Theory Simul. 13, 419 (2004); Naess and Elsgaeter Macromol. Theory Simul. 14, 300 (2005)], confirming its validity. We then apply the algorithm to simulate a patchy particle model of clathrin, a three-legged protein involved in vesicle production from lipid membranes during endocytosis. Using this algorithm we recover time scales for cage assembly comparable to those from experiments. We also briefly discuss the undulatory dynamics of the polyhedral cage.

  1. Structures and Dynamics in Condensed Systems | The Ames Laboratory

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Structures and Dynamics in Condensed Systems Research Personnel Updates Publications Synthesis The research effort proposed here entails bringing simulation methods together with theory and critical experiments to investigate structural selection dynamics in highly driven systems. Building on our past efforts aimed at understanding the structure and properties of highly undercooled liquids and glasses, the structural dynamics of solidification and devitrification, and the fundamental behavior of

  2. PNNL: Interfacial Dynamics in Radiation Environments and Materials (IDREAM)

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Interfacial Dynamics in Radiation Environments and Materials (IDREAM) Interfacial Dynamics in Radiation Environments and Materials (IDREAM) The Interfacial Dynamics in Radiation Environments and Materials (IDREAM) Energy Frontier Research Center (EFRC) is a national resource sponsored by the Department of Energy (DOE) focused on new knowledge that will fuel innovation in the treatment of the nation's high level radioactive wastes. Innovation is needed to accelerate the processing of wastes that

  3. Pulsed laser stereophotography of plasmas and dynamically moving surfaces

    SciTech Connect (OSTI)

    Paisley, D.L.

    1987-01-01

    A pulsed laser is used as a light source for illuminating the surface of a dynamic event of less than or equal to1 mm/sup 2/ moving at >3 mm/..mu..s. At a predetermined time during the dynamic action, a stereo camera is used to record a pair of images of the dynamically moving surface. The stereoimage pair can be quantified for surface contour. 3 refs., 8 figs.

  4. Confined martensitic phase transformation kinetics and lattice dynamics in

    Office of Scientific and Technical Information (OSTI)

    Ni-Co-Fe-Ga shape memory alloys (Journal Article) | SciTech Connect Journal Article: Confined martensitic phase transformation kinetics and lattice dynamics in Ni-Co-Fe-Ga shape memory alloys Citation Details In-Document Search Title: Confined martensitic phase transformation kinetics and lattice dynamics in Ni-Co-Fe-Ga shape memory alloys Here we describe insights into the phase transformation kinetics and lattice dynamics associated with the newly discovered confined martensitic

  5. Average dynamics of a finite set of coupled phase oscillators

    SciTech Connect (OSTI)

    Dima, Germn C. Mindlin, Gabriel B.

    2014-06-15

    We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

  6. GULF OF MEXICO SEAFLOOR STABILITY AND GAS HYDRATE MONITORING STATION PROJECT

    SciTech Connect (OSTI)

    J. Robert Woolsey; Thomas M. McGee; Robin C. Buchannon

    2004-11-01

    The gas hydrates research Consortium (HRC), established and administered at the University if Mississippi's Center for Marine Research and Environmental Technology (CMRET) has been active on many fronts in FY 03. Extension of the original contract through March 2004, has allowed completion of many projects that were incomplete at the end of the original project period due, primarily, to severe weather and difficulties in rescheduling test cruises. The primary objective of the Consortium, to design and emplace a remote sea floor station for the monitoring of gas hydrates in the Gulf of Mexico by the year 2005 remains intact. However, the possibility of levering HRC research off of the Joint Industries Program (JIP) became a possibility that has demanded reevaluation of some of the fundamental assumptions of the station format. These provisions are discussed in Appendix A. Landmark achievements of FY03 include: (1) Continuation of Consortium development with new researchers and additional areas of research contribution being incorporated into the project. During this period, NOAA's National Undersea Research Program's (NURP) National Institute for Undersea Science and Technology (NIUST) became a Consortium funding partner, joining DOE and Minerals Management Service (MMS); (2) Very successful annual and semiannual meetings in Oxford Mississippi in February and September, 2003; (3) Collection of piston cores from MC798 in support of the effort to evaluate the site for possible monitoring station installation; (4) Completion of the site evaluation effort including reports of all localities in the northern Gulf of Mexico where hydrates have been documented or are strongly suspected to exist on the sea floor or in the shallow subsurface; (5) Collection and preliminary evaluation of vent gases and core samples of hydrate from sites in Green Canyon and Mississippi Canyon, northern Gulf of Mexico; (6) Monitoring of gas activity on the sea floor, acoustically and thermally; (7) Design, construction, and successful deployment of an in situ pore-water sampling device; (8) Improvements to the original Raman spectrometer (methane sensor); (9) Laboratory demonstration of the impact of bacterially-produced surfactants' rates of hydrate formation; (10) Construction and sea floor emplacement and testing--with both watergun and ship noise sources--of the prototypal vertical line array (VLA); (11) Initiation of studies of spatial controls on hydrates; (12) Compilation and analyses of seismic data, including mapping of surface anomalies; (13) Additional field verification (bottom samples recovered), in support of the site selection effort; (14) Collection and preliminary analyses of gas hydrates from new sites that exhibit variant structures; (15) Initial shear wave tests carried out in shallow water; (16) Isolation of microbes for potential medicinal products development; (17) Preliminary modeling of occurrences of gas hydrates.

  7. Dynamic Analysis of Mobile Device Applications

    SciTech Connect (OSTI)

    Corey Thuen

    2013-01-01

    The On-Device Dynamic Analysis of Mobile Applications (ODAMA) project was started in an effort to protect mobile devices used in Industrial Control Systems (ICS) from cyber attack. Because mobile devices hide as much of the computer as possible, the users ability to assess the software running on their system is limited. The research team chose Googles Android platform for this initial research because it is open source and it would give us freedom in our approach, including the ability to modify the mobile devices operating system itself. The research team concluded that a Privileged Application was the right approach, and the result was ODAMA. This project is an important piece of the work to secure the expanding use of mobile devices with our nations critical infrastructure.

  8. Temporal information encoding in dynamic memristive devices

    SciTech Connect (OSTI)

    Ma, Wen; Chen, Lin; Du, Chao; Lu, Wei D.

    2015-11-09

    We show temporal and frequency information can be effectively encoded in memristive devices with inherent short-term dynamics. Ag/Ag{sub 2}S/Pd based memristive devices with low programming voltage (∼100 mV) were fabricated and tested. At weak programming conditions, the devices exhibit inherent decay due to spontaneous diffusion of the Ag atoms. When the devices were subjected to pulse train inputs emulating different spiking patterns, the switching probability distribution function diverges from the standard Poisson distribution and evolves according to the input pattern. The experimentally observed switching probability distributions and the associated cumulative probability functions can be well-explained using a model accounting for the short-term decay effects. Such devices offer an intriguing opportunity to directly encode neural signals for neural information storage and analysis.

  9. Spectroscopy, Kinetics, and Dynamics of Combustion Radicals

    SciTech Connect (OSTI)

    Nesbitt, David J.

    2013-08-06

    Spectroscopy, kinetics and dynamics of jet cooled hydrocarbon transients relevant to the DOE combustion mission have been explored, exploiting i) high resolution IR lasers, ii) slit discharge sources for formation of jet cooled radicals, and iii) high sensitivity detection with direct laser absorption methods and near the quantum shot noise limit. What makes this combination powerful is that such transients can be made under high concentrations and pressures characteristic of actual combustion conditions, and yet with the resulting species rapidly cooled (T ≈10-15K) in the slit supersonic expansion. Combined with the power of IR laser absorption methods, this provides novel access to spectral detection and study of many critical combustion species.

  10. Supporting Dynamic Ad hoc Collaboration Capabilities

    SciTech Connect (OSTI)

    Agarwal, Deborah A.; Berket, Karlo

    2003-07-14

    Modern HENP experiments such as CMS and Atlas involve as many as 2000 collaborators around the world. Collaborations this large will be unable to meet often enough to support working closely together. Many of the tools currently available for collaboration focus on heavy-weight applications such as videoconferencing tools. While these are important, there is a more basic need for tools that support connecting physicists to work together on an ad hoc or continuous basis. Tools that support the day-to-day connectivity and underlying needs of a group of collaborators are important for providing light-weight, non-intrusive, and flexible ways to work collaboratively. Some example tools include messaging, file-sharing, and shared plot viewers. An important component of the environment is a scalable underlying communication framework. In this paper we will describe our current progress on building a dynamic and ad hoc collaboration environment and our vision for its evolution into a HENP collaboration environment.

  11. Obstacle penetrating dynamic radar imaging system

    DOE Patents [OSTI]

    Romero, Carlos E.; Zumstein, James E.; Chang, John T.; Leach, Jr.. Richard R.

    2006-12-12

    An obstacle penetrating dynamic radar imaging system for the detection, tracking, and imaging of an individual, animal, or object comprising a multiplicity of low power ultra wideband radar units that produce a set of return radar signals from the individual, animal, or object, and a processing system for said set of return radar signals for detection, tracking, and imaging of the individual, animal, or object. The system provides a radar video system for detecting and tracking an individual, animal, or object by producing a set of return radar signals from the individual, animal, or object with a multiplicity of low power ultra wideband radar units, and processing said set of return radar signals for detecting and tracking of the individual, animal, or object.

  12. Dynamic simulator for PEFC propulsion plant

    SciTech Connect (OSTI)

    Hiraide, Masataka; Kaneda, Eiichi; Sato, Takao

    1996-12-31

    This report covers part of a joint study on a PEFC propulsion system for surface ships, summarized in a presentation to this Seminar, entitled {open_quote}Study on a Polymer Electrolyte Fuel Cell (PEFC) Propulsion System for Surface Ships{close_quotes}, and which envisages application to a 1,500 DWT cargo vessel. The work presented here focuses on a simulation study on PEFC propulsion plant performance, and particularly on the system response to changes in load. Using a dynamic simulator composed of system components including fuel cell, various simulations were executed, to examine the performance of the system as a whole and of the individual system components under quick and large load changes such as occasioned by maneuvering operations and by racing when the propeller emerges above water in heavy sea.

  13. Molten uranium dioxide structure and dynamics

    DOE PAGES-Beta [OSTI]

    Skinner, L. B.; Parise, J. B.; Benmore, C. J.; Weber, J. K.R.; Williamson, M. A.; Tamalonis, A.; Hebden, A.; Wiencek, T.; Alderman, O. L.G.; Guthrie, M.; et al

    2014-11-21

    Uranium dioxide (UO2) is the major nuclear fuel component of fission power reactors. A key concern during severe accidents is the melting and leakage of radioactive UO2 as it corrodes through its zirconium cladding and steel containment. Yet, the very high temperatures (>3140 kelvin) and chemical reactivity of molten UO2 have prevented structural studies. In this work, we combine laser heating, sample levitation, and synchrotron x-rays to obtain pair distribution function measurements of hot solid and molten UO2. The hot solid shows a substantial increase in oxygen disorder around the lambda transition (2670 K) but negligible U-O coordination change. Onmore » melting, the average U-O coordination drops from 8 to 6.7 ± 0.5. Molecular dynamics models refined to this structure predict higher U-U mobility than 8-coordinated melts.« less

  14. Static & Dynamic Response of 2D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surfacemore » contact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.« less

  15. Dynamically Generated Mott Gap from Holography

    SciTech Connect (OSTI)

    Edalati, Mohammad; Leigh, Robert G.; Phillips, Philip W.

    2011-03-04

    In the fermionic sector of top-down approaches to holographic systems, one generically finds that the fermions are coupled to gravity and gauge fields in a variety of ways, beyond minimal coupling. In this Letter, we take one such interaction--a Pauli, or dipole, interaction--and study its effects on fermion correlators. We find that this interaction modifies the fermion spectral density in a remarkable way. As we change the strength of the interaction, we find that spectral weight is transferred between bands, and beyond a critical value, a gap emerges in the fermion density of states. A possible interpretation of this bulk interaction then is that it drives the dynamical formation of a (Mott) gap, in the absence of continuous symmetry breaking.

  16. The role of entropy in magnetotail dynamics

    SciTech Connect (OSTI)

    Birn, Joachim; Zaharia, Sorin; Hesse, Michael

    2008-01-01

    The role of entropy conservation and loss in magnetospheric dynamics, particularly in relation to substorm phases, is discussed on the basis of MHD theory and simulations, using comparisons with PIC simulations for validation. Entropy conservation appears to be a crucial element leading to the formation of thin embedded current sheets in the late substorm growth phase and the potential loss of equilibrium. Entropy loss (in the form of plasmoids) is essential in the earthward transport of flux tubes (bubbles, bursty bulk flows). Entropy loss also changes the tail stability properties and may render ballooning modes unstable and thus contribute to cross-tail variability. We illustrate these effects through results from theory and simulations. Entropy conservation also governs the accessibility of final states of evolution and the amount of energy that may be released.

  17. Thermofield dynamics and Casimir effect for fermions

    SciTech Connect (OSTI)

    Queiroz, H. . E-mail: hebe@fis.ufba.br; Silva, J.C. da . E-mail: jcsilva@cefetba.br; Khanna, F.C. . E-mail: khanna@phys.ualberta.ca; Malbouisson, J.M.C. . E-mail: jmalbou@phys.ualberta.ca; Revzen, M. . E-mail: revzen@physics.technion.ac.il; Santana, A.E. . E-mail: asantana@fis.unb.br

    2005-05-01

    A generalization of the Bogoliubov transformation is developed to describe a space compactified fermionic field. The method is the fermionic counterpart of the formalism introduced earlier for bosons [Phys. Rev. A 66 (2002) 052101], and is based on the thermofield dynamics approach. We analyze the energy-momentum tensor for the Casimir effect of a free massless fermion field in a d-dimensional box at finite temperature. As a particular case the Casimir energy and pressure for the field confined in a three-dimensional parallelepiped box are calculated. It is found that the attractive or repulsive nature of the Casimir pressure on opposite faces changes depending on the relative magnitude of the edges. We also determine the temperature at which the Casimir pressure in a cubic box changes sign and estimate its value when the edge of the cube is of the order of the confining lengths for baryons.

  18. Static & Dynamic Response of 2D Solids

    Energy Science and Technology Software Center (OSTI)

    1996-07-15

    NIKE2D is an implicit finite-element code for analyzing the finite deformation, static and dynamic response of two-dimensional, axisymmetric, plane strain, and plane stress solids. The code is fully vectorized and available on several computing platforms. A number of material models are incorporated to simulate a wide range of material behavior including elasto-placicity, anisotropy, creep, thermal effects, and rate dependence. Slideline algorithms model gaps and sliding along material interfaces, including interface friction, penetration and single surfacemorecontact. Interactive-graphics and rezoning is included for analyses with large mesh distortions. In addition to quasi-Newton and arc-length procedures, adaptive algorithms can be defined to solve the implicit equations using the solution language ISLAND. Each of these capabilities and more make NIKE2D a robust analysis tool.less

  19. Methods and systems for combustion dynamics reduction

    DOE Patents [OSTI]

    Kraemer, Gilbert Otto; Varatharajan, Balachandar; Srinivasan, Shiva; Lynch, John Joseph; Yilmaz, Ertan; Kim, Kwanwoo; Lacy, Benjamin; Crothers, Sarah; Singh, Kapil Kumar

    2009-08-25

    Methods and systems for combustion dynamics reduction are provided. A combustion chamber may include a first premixer and a second premixer. Each premixer may include at least one fuel injector, at least one air inlet duct, and at least one vane pack for at least partially mixing the air from the air inlet duct or ducts and fuel from the fuel injector or injectors. Each vane pack may include a plurality of fuel orifices through which at least a portion of the fuel and at least a portion of the air may pass. The vane pack or packs of the first premixer may be positioned at a first axial position and the vane pack or packs of the second premixer may be positioned at a second axial position axially staggered with respect to the first axial position.

  20. Structural system identification: Structural dynamics model validation

    SciTech Connect (OSTI)

    Red-Horse, J.R.

    1997-04-01

    Structural system identification is concerned with the development of systematic procedures and tools for developing predictive analytical models based on a physical structure`s dynamic response characteristics. It is a multidisciplinary process that involves the ability (1) to define high fidelity physics-based analysis models, (2) to acquire accurate test-derived information for physical specimens using diagnostic experiments, (3) to validate the numerical simulation model by reconciling differences that inevitably exist between the analysis model and the experimental data, and (4) to quantify uncertainties in the final system models and subsequent numerical simulations. The goal of this project was to develop structural system identification techniques and software suitable for both research and production applications in code and model validation.

  1. Fault-tolerant dynamic task graph scheduling

    SciTech Connect (OSTI)

    Kurt, Mehmet C.; Krishnamoorthy, Sriram; Agrawal, Kunal; Agrawal, Gagan

    2014-11-16

    In this paper, we present an approach to fault tolerant execution of dynamic task graphs scheduled using work stealing. In particular, we focus on selective and localized recovery of tasks in the presence of soft faults. We elicit from the user the basic task graph structure in terms of successor and predecessor relationships. The work stealing-based algorithm to schedule such a task graph is augmented to enable recovery when the data and meta-data associated with a task get corrupted. We use this redundancy, and the knowledge of the task graph structure, to selectively recover from faults with low space and time overheads. We show that the fault tolerant design retains the essential properties of the underlying work stealing-based task scheduling algorithm, and that the fault tolerant execution is asymptotically optimal when task re-execution is taken into account. Experimental evaluation demonstrates the low cost of recovery under various fault scenarios.

  2. Molten uranium dioxide structure and dynamics

    SciTech Connect (OSTI)

    Skinner, L. B.; Parise, J. B.; Benmore, C. J.; Weber, J. K.R.; Williamson, M. A.; Tamalonis, A.; Hebden, A.; Wiencek, T.; Alderman, O. L.G.; Guthrie, M.; Leibowitz, L.

    2014-11-21

    Uranium dioxide (UO2) is the major nuclear fuel component of fission power reactors. A key concern during severe accidents is the melting and leakage of radioactive UO2 as it corrodes through its zirconium cladding and steel containment. Yet, the very high temperatures (>3140 kelvin) and chemical reactivity of molten UO2 have prevented structural studies. In this work, we combine laser heating, sample levitation, and synchrotron x-rays to obtain pair distribution function measurements of hot solid and molten UO2. The hot solid shows a substantial increase in oxygen disorder around the lambda transition (2670 K) but negligible U-O coordination change. On melting, the average U-O coordination drops from 8 to 6.7 ± 0.5. Molecular dynamics models refined to this structure predict higher U-U mobility than 8-coordinated melts.

  3. Dynamic Analysis of Nuclear Energy System Strategies

    Energy Science and Technology Software Center (OSTI)

    2004-06-17

    DANESS is an integrated process model for nuclear energy systems allowing the simulation of multiple reactors and fuel cycles in a continuously changing nuclear reactor park configuration. The model is energy demand driven and simulates all nuclear fuel cycle facilites, up to 10 reactors and fuels. Reactor and fuel cycle facility history are traced and the cost of generating energy is calculated per reactor and for total nuclear energy system. The DANESS model aims atmore » performing dynamic systems analysis of nuclear energy development used for integrated analysis of development paths for nuclear energy, parameter scoping for new nuclear energy systems, economic analysis of nuclear energy, government role analysis, and education.« less

  4. Dynamically limiting energy consumed by cooling apparatus

    DOE Patents [OSTI]

    Chainer, Timothy J.; David, Milnes P.; Iyengar, Madhusudan K.; Parida, Pritish R.; Schmidt, Roger R.; Schultz, Mark D.

    2015-05-26

    Cooling apparatuses and methods are provided which include one or more coolant-cooled structures associated with an electronics rack, a coolant loop coupled in fluid communication with one or more passages of the coolant-cooled structure(s), one or more heat exchange units coupled to facilitate heat transfer from coolant within the coolant loop, and N controllable components associated with the coolant loop or the heat exchange unit(s), wherein N.gtoreq.1. The N controllable components facilitate circulation of coolant through the coolant loop or transfer of heat from the coolant via the heat exchange unit(s). A controller is coupled to the N controllable components, and dynamically adjusts operation of the N controllable components, based on Z input parameters and one or more specified constraints, to provide a specified cooling to the coolant-cooled structure(s), while limiting energy consumed by the N controllable components, wherein Z.gtoreq.1.

  5. Dynamically limiting energy consumed by cooling apparatus

    DOE Patents [OSTI]

    Chainer, Timothy J.; David, Milnes P.; Iyengar, Madhusudan K.; Parida, Pritish R.; Schmidt, Roger R.; Schultz, Mark D.

    2015-06-09

    Cooling methods are provided which include providing: one or more coolant-cooled structures associated with an electronics rack, a coolant loop coupled in fluid communication with one or more passages of the coolant-cooled structure(s), one or more heat exchange units coupled to facilitate heat transfer from coolant within the coolant loop, and N controllable components associated with the coolant loop or the heat exchange unit(s), wherein N.gtoreq.1. The N controllable components facilitate circulation of coolant through the coolant loop or transfer of heat from the coolant via the heat exchange unit(s). A controller is also provided to dynamically adjust operation of the N controllable components, based on Z input parameters and one or more specified constraints, and provide a specified cooling to the coolant-cooled structure(s), while limiting energy consumed by the N controllable components, wherein Z.gtoreq.1.

  6. Dynamic failure in two-phase materials

    SciTech Connect (OSTI)

    Fensin, S. J.; Walker, E. K.; Cerreta, E. K.; Trujillo, C. P.; Martinez, D. T.; Gray, G. T.

    2015-12-21

    Previous experimental research has shown that microstructural features such as interfaces, inclusions, vacancies, and heterogeneities can all act as voidnucleation sites. However, it is not well understood how important these interfaces are to damage evolution and failure as a function of the surrounding parentmaterials. In this work, we present results on three different polycrystallinematerials: (1) Cu, (2) Cu-24 wt. %Ag, and (3) Cu-15 wt. %Nb which were studied to probe the influence of bi-metal interfaces onvoidnucleation and growth. These materials were chosen due to the range of difference in structure and bulk properties between the two phases. The initial results suggest that when there are significant differences between the bulk properties (for example: stacking fault energy, melting temperature, etc.) the type of interface between the two parent materials does not principally control the damage nucleation and growth process. Rather, it is the “weaker” material that dictates the dynamic spall strength of the overall two-phase material.

  7. Dynamics on modular networks with heterogeneous correlations

    SciTech Connect (OSTI)

    Melnik, Sergey; Oxford Centre for Industrial and Applied Mathematics, Mathematical Institute, University of Oxford, Oxford OX2 6GG; CABDyN Complexity Centre, University of Oxford, Oxford OX1 1HP ; Porter, Mason A.; CABDyN Complexity Centre, University of Oxford, Oxford OX1 1HP ; Mucha, Peter J.; Institute for Advanced Materials, Nanoscience and Technology, University of North Carolina, Chapel Hill, North Carolina 27599-3216 ; Gleeson, James P.

    2014-06-15

    We develop a new ensemble of modular random graphs in which degree-degree correlations can be different in each module, and the inter-module connections are defined by the joint degree-degree distribution of nodes for each pair of modules. We present an analytical approach that allows one to analyze several types of binary dynamics operating on such networks, and we illustrate our approach using bond percolation, site percolation, and the Watts threshold model. The new network ensemble generalizes existing models (e.g., the well-known configuration model and Lancichinetti-Fortunato-Radicchi networks) by allowing a heterogeneous distribution of degree-degree correlations across modules, which is important for the consideration of nonidentical interacting networks.

  8. Dynamic tariffs (Smart Grid Project) | Open Energy Information

    Open Energy Information (Open El) [EERE & EIA]

    Jump to: navigation, search Project Name Dynamic tariffs Country Denmark Coordinates 56.26392, 9.501785 Loading map... "minzoom":false,"mappingservice":"googlemaps3","type...

  9. Dynamic Evolution of Cement Composition and Transport Properties...

    Office of Scientific and Technical Information (OSTI)

    Carbon Sequestration Citation Details In-Document Search Title: Dynamic Evolution of Cement Composition and Transport Properties under Conditions Relevant to Geological Carbon ...

  10. Intrinsic transverse momentum and dynamical chiral symmetry breaking...

    Office of Scientific and Technical Information (OSTI)

    Using an effective dynamical model based on chiral constituent quark degrees of freedom and the 1Nc expansion (chiral quark-soliton model), we calculate the transverse momentum ...

  11. Extreme dynamic compression with a low energy laser pulse (Conference...

    Office of Scientific and Technical Information (OSTI)

    Resource Relation: Conference: Presented at: Extreme dynamic compression with a low energy laser pulse, Tampa, FL, United States, Jun 15 - Jun 19, 2015 Research Org: Lawrence ...

  12. The Requesting Access to Dynamic Transfer Capability Pilot (DTC...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    and control of dynamic transfer adequate for Dispatchers? * What control center (AGC, SCADA, etc.) changes were required to provide adequate visibility and control? * Did the...

  13. Adjoints and Large Data Sets in Computational Fluid Dynamics...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Oana Marin Speaker(s) Title: Postdoctoral Appointee, MCS Optimal flow control and stability analysis are some of the fields within Computational Fluid Dynamics (CFD) that...

  14. Ultrafast Core-Hole Induced Dynamics in Water

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    isotope substitution experiments and molecular dynamics simulations, researchers from Sweden, Germany, and the U.S. have shown that the ultrafast (0- to 10-fs) dissociation...

  15. Dynamical transitions in large systems of mean field-coupled...

    Office of Scientific and Technical Information (OSTI)

    chaos and cluster states Citation Details In-Document Search Title: Dynamical transitions in large systems of mean field-coupled Landau-Stuart oscillators: Extensive chaos and ...

  16. NUCLEAR REACTORS; PIPES; SEISMIC EFFECTS; SUPPORTS; DYNAMIC LOADS...

    Office of Scientific and Technical Information (OSTI)

    Limit analysis of pipe clamps Flanders, H.E. Jr. 22 GENERAL STUDIES OF NUCLEAR REACTORS; PIPES; SEISMIC EFFECTS; SUPPORTS; DYNAMIC LOADS; HEAT TRANSFER; HYDRAULICS; REACTOR SAFETY;...

  17. Laboratory Study Supporting the Interpretation of Solar Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Laboratory Study Supporting the Interpretation of Solar Dynamics Observatory data Citation Details In-Document Search Title: Laboratory Study Supporting the Interpretation of Solar...

  18. Ultrafast Charge Dynamics Initiated by High-Intensity, Ultrashort...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Ultrafast Charge Dynamics Initiated by High-Intensity, Ultrashort Laser-Matter Interaction Citation ... We report results of recent experiment in which such charge ...

  19. Pure Optical Dephasing Dynamics in Semiconducting Single-Walled...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Pure Optical Dephasing Dynamics in Semiconducting Single-Walled Carbon Nanotubes Citation ... We report a detailed study of ultrafast exciton dephasing ...

  20. Dynamic Models for Wind Turbines and Wind Power Plants

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dynamic Models for Wind Turbines and Wind Power Plants January 11, 2008 - May 31, 2011 Mohit Singh Surya Santoso (Principal Investigator) The University of Texas at Austin Austin, ...

  1. Ultrafast optical control of magnetization dynamics in polycrystalline...

    Office of Scientific and Technical Information (OSTI)

    bismuth doped iron garnet thin films Citation Details In-Document Search Title: Ultrafast optical control of magnetization dynamics in polycrystalline bismuth doped iron ...

  2. Computational Fluid Dynamics & Large-Scale Uncertainty Quantification...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Fluid Dynamics & Large-Scale Uncertainty Quantification for Wind Energy - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure ...

  3. Adjoint Fokker-Planck equation and runaway electron dynamics...

    Office of Scientific and Technical Information (OSTI)

    This content will become publicly available on January 13, 2017 Title: Adjoint Fokker-Planck equation and runaway electron dynamics Authors: Liu, Chang 1 ; Brennan, Dylan P. 1 ...

  4. Combined local-density and dynamical mean field theory calculations...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Combined local-density and dynamical mean ... Citation Details In-Document Search Title: Combined ... This paper reports calculations for compressed Ce (4fsup ...

  5. Dynamics and efficiency of magnetic vortex circulation reversal...

    Office of Scientific and Technical Information (OSTI)

    Dynamics and efficiency of magnetic vortex circulation reversal Not Available Temp HTML Storage 2: Urbnek, Michal; Uhl, Vojtch; Lambert, Charles-Henri; Kan, Jimmy J.; ...

  6. Laboratory Study Supporting the Interpretation of Solar Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Laboratory Study Supporting the Interpretation of Solar Dynamics Observatory data Citation Details In-Document Search Title: Laboratory Study Supporting the Interpretation of Solar ...

  7. Microscopic description of fission dynamics: finite element method...

    Office of Scientific and Technical Information (OSTI)

    Title: Microscopic description of fission dynamics: finite element method resolution of ... This site is a product of DOE's Office of Scientific and Technical Information (OSTI) and ...

  8. Erratum: "A transformed framework for dynamic correlation in...

    Office of Scientific and Technical Information (OSTI)

    Title: Erratum: "A transformed framework for dynamic correlation in multireference problems" J. Chem. Phys. 142, 124107 (2015) Authors: Sokolov, Alexander Yu. 1 ; Chan, Garnet ...

  9. Dimensions of invariant measures for continuous random dynamical systems

    SciTech Connect (OSTI)

    Bielaczyc, Tomasz; Horbacz, Katarzyna

    2015-03-10

    We consider continuous random dynamical systems with jumps. We estimate the dimension of the invariant measures and apply the results to a model of stochastic gene expression.

  10. Dynamic Potential Intensity: An improved representation of the...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Dynamic Potential Intensity: An improved ... average of temperature down to a fixed depth was proposed as a replacement for SST ...

  11. Equilibration dynamics and conductivity of warm dense hydrogen...

    Office of Scientific and Technical Information (OSTI)

    and conductivity of warm dense hydrogen Citation Details In-Document Search Title: Equilibration dynamics and conductivity of warm dense hydrogen You are accessing a document ...

  12. The generalized finite element method applied to the dynamic...

    Office of Scientific and Technical Information (OSTI)

    Title: The generalized finite element method applied to the dynamic response of heterogeneous media. Authors: Robbins, Joshua ; Voth, Thomas E. Publication Date: 2013-02-01 OSTI ...

  13. New Spectroscopic Technique Reveals the Dynamics of Operating...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    New Spectroscopic Technique Reveals the Dynamics of Operating Battery Electrodes Print ... have become indispensable in studying and the eventual optimization of battery materials. ...

  14. Dynamic Control of Spin Sates in Interacting Magnetic Elements...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Advanced Materials Advanced Materials Find More Like This Return to Search Dynamic Control of Spin Sates in Interacting Magnetic Elements DOE Grant Recipients Argonne National...

  15. A Dielectric Relaxometry Study of Segmental Dynamics in PDMS...

    Office of Scientific and Technical Information (OSTI)

    A Dielectric Relaxometry Study of Segmental Dynamics in PDMSBoron Composite and Hybrid Elastomers Citation Details In-Document Search Title: A Dielectric Relaxometry Study of...

  16. Challenge of Dynamic Mesoscale Imaging Barnes, Cris William ...

    Office of Scientific and Technical Information (OSTI)

    The Matter-Radiation Interactions in Extremes Project, and the Challenge of Dynamic Mesoscale Imaging Barnes, Cris William Los Alamos National Laboratory; Barber, John L. Los...

  17. A Dielectric Relaxometry Study of Segmental Dynamics in PDMS...

    Office of Scientific and Technical Information (OSTI)

    in PDMSBoron Composite and Hybrid Elastomers Citation Details In-Document Search Title: A Dielectric Relaxometry Study of Segmental Dynamics in PDMSBoron Composite and ...

  18. Ultrafast Core-Hole Induced Dynamics in Water

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    with pump-probe measurements. Using a combination of isotope substitution experiments and molecular dynamics simulations, researchers from Sweden, Germany, and the U.S. have shown...

  19. Sandia Energy - Simulations Reveal Ion Dynamics in Polymer Electrolyte

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    and their effects on material properties is important for improved design. Recent molecular-dynamics simulations have revealed new details of ion motion in model ionomers....

  20. Molecular Dynamics Simulations of Gas Selectivity in Amorphous...

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Dynamics Simulations of Gas Selectivity in Amorphous Porous Molecular Solids Previous Next List Shan Jiang, Kim E. Jelfs, Daniel Holden, Tom Hasell, Samantha Y. Chong, Maciej...

  1. Dynamic Modeling in Solid-Oxide Fuel Cells Controller Design

    SciTech Connect (OSTI)

    Lu, Ning; Li, Qinghe; Sun, Xin; Khaleel, Mohammad A.

    2007-06-28

    In this paper, a dynamic model of the solid-oxide fuel cell (SOFC) power unit is developed for the purpose of designing a controller to regulate fuel flow rate, fuel temperature, air flow rate, and air temperature to maintain the SOFC stack temperature, fuel utilization rate, and voltage within operation limits. A lumped model is used to consider the thermal dynamics and the electro-chemial dynamics inside an SOFC power unit. The fluid dynamics at the fuel and air inlets are considered by using the in-flow ramp-rates.

  2. LONG-TERM DYNAMICS OF RADIONUCLIDE VERTICAL MIGRATION IN SOILS...

    Office of Scientific and Technical Information (OSTI)

    NUCLEAR POWER PLANT EXCLUSION ZONE Citation Details In-Document Search Title: LONG-TERM DYNAMICS OF RADIONUCLIDE VERTICAL MIGRATION IN SOILS OF THE CHERNOBYL NUCLEAR POWER ...

  3. Characterizing Loop Dynamics and Ligand Recognition in Human...

    Office of Scientific and Technical Information (OSTI)

    Characterizing Loop Dynamics and Ligand Recognition in Human- and Avian-Type Influenza ... Recognition in Human- and Avian-Type Influenza Neuraminidases via Generalized Born ...

  4. Dynamic Mechanical Thermal Analysis of Virgin TR-55 Silicone...

    Office of Scientific and Technical Information (OSTI)

    limit of the linear viscoelastic region of the material based on initial dynamic strain sweep tests. Master curves of Gprime and Gdoubleprime as a function of frequency ...

  5. Dynamic System Simulation of the KRUSTY Experiment (Technical...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: Dynamic System Simulation of the KRUSTY Experiment Citation Details ... Have feedback or suggestions for a way to improve these results? Save Share this ...

  6. Lessons Learned from Alternative Transportation Fuels: Modeling Transition Dynamics

    SciTech Connect (OSTI)

    Welch, C.

    2006-02-01

    Report focuses on understanding how analytical system modeling and data from AFV experiences could improve our understanding of the dynamic forces governing the transition to a hydrogen future.

  7. Ultrafast Core-Hole Induced Dynamics in Water

    U.S. Department of Energy (DOE) all webpages (Extended Search)

    Waters If you look deeply enough at even the stillest of waters, as deep as the molecular level, you will find a surprisingly turbulent, dynamic universe. The water...

  8. Beam Dynamics Studies for a Laser Acceleration Experiment (Conference...

    Office of Scientific and Technical Information (OSTI)

    Citation Details In-Document Search Title: Beam Dynamics Studies for a Laser Acceleration Experiment The NLC Test Accelerator (NLCTA) at SLAC was built to address various beam ...

  9. DYNAMIC DELAMINATION IN THROUGH-THICKNESS REINFORCED DCB SPECIMEN

    SciTech Connect (OSTI)

    N. SRIDHAR; ET AL

    2001-02-01

    Bridged crack models using beam theory formulation have proved to be effective in the modeling of quasistatic delamination crack growth in through thickness reinforced structures. In this paper, we model dynamic crack propagation in these structures with the beam theory formulation. Steady state crack propagation characteristics unique to the dynamic case are first identified. Dynamic crack propagation and the energetics of steady state dynamic crack growth for a Double Cantilever beam (DCB) configuration loaded with a flying wedge is examined next. We find that steady state crack growth is attainable for this loading configuration provided certain conditions are satisfied.

  10. Particle model for skyrmions in metallic chiral magnets: Dynamics...

    Office of Scientific and Technical Information (OSTI)

    Particle model for skyrmions in metallic chiral magnets: Dynamics, pinning, and creep Citation Details In-Document Search Title: Particle model for skyrmions in metallic chiral ...

  11. Short-Time Glassy Dynamics in Viscous Protein Solutions with...

    Office of Scientific and Technical Information (OSTI)

    Short-Time Glassy Dynamics in Viscous Protein Solutions with Competing Interactions This content will become publicly available on November 23, 2016 Prev Next Title: ...

  12. Finite-size effects of hysteretic dynamics in multilayer graphene...

    Office of Scientific and Technical Information (OSTI)

    Publisher's Accepted Manuscript: Finite-size effects of hysteretic dynamics in multilayer graphene on a ferroelectric Prev Next Title: Finite-size effects of hysteretic ...

  13. Prospects for achieving high dynamic compression with low energy...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Prospects for achieving high dynamic compression with low energy Citation Details In-Document Search ... Publication Date: 2012-07-30 OSTI Identifier: 1057245 Report ...

  14. Solid-state Dynamics of Uranyl Polyoxometalates. (Journal Article...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Solid-state Dynamics of Uranyl Polyoxometalates. Citation Details In-Document Search Title: ... Publication Date: 2014-01-01 OSTI Identifier: 1140494 Report ...

  15. Molecular dynamics simulation and ab intio studies of electrolytes...

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    More Documents & Publications High Voltage Electrolytes for Li-ion Batteries Molecular Dynamics Simulation Studies of Electrolytes and ElectrolyteElectrode Interfaces

  16. RAVEN: Dynamic Event Tree Approach Level III Milestone (Technical...

    Office of Scientific and Technical Information (OSTI)

    explicitly accounted for in the analysis. In order to overcome these limitations several techniques, also know as Dynamic Probabilistic Risk Assessment (DPRA), have been developed. ...

  17. Plant Root Characteristics and Dynamics in Arctic Tundra Ecosystems...

    Office of Scientific and Technical Information (OSTI)

    and dynamics, and their role in key ecosystem processes in the Arctic. Authors: Sullivan, Paddy ; Sloan, Victoria ; Warren, Jeff ; McGuire, Dave ; Euskirchen, Eugenie ;...

  18. Molecular dynamics simulation and ab intio studies of electrolytes...

    Energy.gov (indexed) [DOE]

    and Vehicle Technologies Program Annual Merit Review and Peer Evaluation es058smith2011o.pdf (854.25 KB) More Documents & Publications Molecular Dynamics Simulation ...

  19. Rapidity gap survival in central exclusive diffraction: Dynamical...

    Office of Scientific and Technical Information (OSTI)

    Rapidity gap survival in central exclusive diffraction: Dynamical mechanisms and uncertainties Citation Details In-Document Search Title: Rapidity gap survival in central exclusive ...

  20. Annual Report 1998: Chemical Structure and Dynamics

    SciTech Connect (OSTI)

    SD Colson; RS McDowell

    1999-05-10

    The Chemical Structure and Dynamics (CS&D) program is a major component of the William R. Wiley Environmental Molecular Sciences Labo- ratory (EMSL), developed by Pacific Northwest National Laboratory (PNNL) to provide a state-of- the-art collaborative facility for studies of chemical structure and dynamics. We respond to the need for a fundamental, molecular-level understanding of chemistry at a wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces; (2) developing a multidisciplinary capability for describing interracial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in envi- ronmental chemistry and in nuclear waste proc- essing and storage; and (3) developing state-of- the-art analytical methods for characterizing com- plex materials of the types found in stored wastes and contaminated soils, and for detecting and monitoring trace atmospheric species. Our program aims at achieving a quantitative understanding of chemical reactions at interfaces and, more generally, in condensed media, compa- rable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for pre- dicting macroscopic chemical behavior in con- densed and heterogeneous media, which will add significantly to the value of field-scale envi- ronmental models, predictions of short- and long- term nuclear waste storage stabilities, and other areas related to the primary missions of the U.S. Department of Energy (DOE).

  1. Chemical structure and dynamics. Annual report 1994

    SciTech Connect (OSTI)

    Colson, S.D.

    1995-07-01

    The Chemical Structure and Dynamics program was organized as a major component of Pacific Northwest Laboratory`s Environmental and Molecular Sciences Laboratory (EMSL), a state-of-the-art collaborative facility for studies of chemical structure and dynamics. Our program responds to the need for a fundamental, molecular-level understanding of chemistry at the wide variety of environmentally important interfaces by (1) extending the experimental characterization and theoretical description of chemical reactions to encompass the effects of condensed media and interfaces, and (2) developing a multidisciplinary capability for describing interfacial chemical processes within which the new knowledge generated can be brought to bear on complex phenomena in environmental chemistry and in nuclear waste processing and storage. This research effort was initiated in 1989 and will continue to evolve over the next few years into a program of rigorous studies of fundamental molecular processes in model systems, such as well-characterized surfaces, single-component solutions, clusters, and biological molecules; and studies of complex systems found in the environment (multispecies, multiphase solutions; solid/liquid, liquid/liquid, and gas/surface interfaces; colloidal dispersions; ultrafine aerosols; and functioning biological systems). The success of this program will result in the achievement of a quantitative understanding of chemical reactions at interfaces, and more generally in condensed media, that is comparable to that currently available for gas-phase reactions. This understanding will form the basis for the development of a priori theories for predictions of macroscopic chemical behavior in condensed and heterogeneous media, adding significantly to the value of field-scale environmental models, the prediction of short- and long-term nuclear waste storage stabilities, and other problems related to the primary missions of the DOE.

  2. MULTISCALE DYNAMICS OF SOLAR MAGNETIC STRUCTURES

    SciTech Connect (OSTI)

    Uritsky, Vadim M.; Davila, Joseph M.

    2012-03-20

    Multiscale topological complexity of the solar magnetic field is among the primary factors controlling energy release in the corona, including associated processes in the photospheric and chromospheric boundaries. We present a new approach for analyzing multiscale behavior of the photospheric magnetic flux underlying these dynamics as depicted by a sequence of high-resolution solar magnetograms. The approach involves two basic processing steps: (1) identification of timing and location of magnetic flux origin and demise events (as defined by DeForest et al.) by tracking spatiotemporal evolution of unipolar and bipolar photospheric regions, and (2) analysis of collective behavior of the detected magnetic events using a generalized version of the Grassberger-Procaccia correlation integral algorithm. The scale-free nature of the developed algorithms makes it possible to characterize the dynamics of the photospheric network across a wide range of distances and relaxation times. Three types of photospheric conditions are considered to test the method: a quiet photosphere, a solar active region (NOAA 10365) in a quiescent non-flaring state, and the same active region during a period of M-class flares. The results obtained show (1) the presence of a topologically complex asymmetrically fragmented magnetic network in the quiet photosphere driven by meso- and supergranulation, (2) the formation of non-potential magnetic structures with complex polarity separation lines inside the active region, and (3) statistical signatures of canceling bipolar magnetic structures coinciding with flaring activity in the active region. Each of these effects can represent an unstable magnetic configuration acting as an energy source for coronal dissipation and heating.

  3. Dynamic Power Flow Controller: Compact Dynamic Phase Angle Regulators for Transmission Power Routing

    SciTech Connect (OSTI)

    2012-01-03

    GENI Project: Varentec is developing compact, low-cost transmission power controllers with fractional power rating for controlling power flow on transmission networks. The technology will enhance grid operations through improved use of current assets and by dramatically reducing the number of transmission lines that have to be built to meet increasing contributions of renewable energy sources like wind and solar. The proposed transmission controllers would allow for the dynamic control of voltage and power flow, improving the grid’s ability to dispatch power in real time to the places where it is most needed. The controllers would work as fail-safe devices whereby the grid would be restored to its present operating state in the event of a controller malfunction instead of failing outright. The ability to affordably and dynamically control power flow with adequate fail-safe switchgear could open up new competitive energy markets which are not possible under the current regulatory structure and technology base.

  4. Dynamic load balancing algorithm for molecular dynamics based on Voronoi cells domain decompositions

    SciTech Connect (OSTI)

    Fattebert, J.-L.; Richards, D.F.; Glosli, J.N.

    2012-12-01

    We present a new algorithm for automatic parallel load balancing in classical molecular dynamics. It assumes a spatial domain decomposition of particles into Voronoi cells. It is a gradient method which attempts to minimize a cost function by displacing Voronoi sites associated with each processor/sub-domain along steepest descent directions. Excellent load balance has been obtained for quasi-2D and 3D practical applications, with up to 440106 particles on 65,536 MPI tasks.

  5. Time lagged ordinal partition networks for capturing dynamics of continuous dynamical systems

    SciTech Connect (OSTI)

    McCullough, Michael; Iu, Herbert Ho-Ching; Small, Michael; Stemler, Thomas

    2015-05-15

    We investigate a generalised version of the recently proposed ordinal partition time series to network transformation algorithm. First, we introduce a fixed time lag for the elements of each partition that is selected using techniques from traditional time delay embedding. The resulting partitions define regions in the embedding phase space that are mapped to nodes in the network space. Edges are allocated between nodes based on temporal succession thus creating a Markov chain representation of the time series. We then apply this new transformation algorithm to time series generated by the Rssler system and find that periodic dynamics translate to ring structures whereas chaotic time series translate to band or tube-like structuresthereby indicating that our algorithm generates networks whose structure is sensitive to system dynamics. Furthermore, we demonstrate that simple network measures including the mean out degree and variance of out degrees can track changes in the dynamical behaviour in a manner comparable to the largest Lyapunov exponent. We also apply the same analysis to experimental time series generated by a diode resonator circuit and show that the network size, mean shortest path length, and network diameter are highly sensitive to the interior crisis captured in this particular data set.

  6. Sheath dynamics induced by ion-acoustic rarefaction wave

    SciTech Connect (OSTI)

    Murakami, M. ); Nishihara, K. )

    1993-09-01

    A simple analytical model is presented to describe the sheath dynamics, when a stationary slab plasma with a uniform density [ital n][sub 0] faces a negatively biased wall with a voltage [phi][sub 0]. The dynamics strongly depends on the sheath thickness [ital s]. If [ital s] is less than a well-defined distance [ital s][sub [ital e

  7. Dynamic tuning of chemiresistor sensitivity using mechanical strain

    DOE Patents [OSTI]

    Martin, James E; Read, Douglas H

    2014-09-30

    The sensitivity of a chemiresistor sensor can be dynamically tuned using mechanical strain. The increase in sensitivity is a smooth, continuous function of the applied strain, and the effect can be reversible. Sensitivity tuning enables the response curve of the sensor to be dynamically optimized for sensing analytes, such as volatile organic compounds, over a wide concentration range.

  8. Structural dynamic response characteristics of Darrieus vertical axis wind turbines

    SciTech Connect (OSTI)

    Sullivan, W.N.

    1981-01-01

    A brief summary of the efforts now underway in the area of the structural dynamics of vertical axis wind turbines is given. The emphasis is on discussing the status of analytical tools, the quantity and quality of existing experimental confirmation data, and the implications structural dynamic issues have on rotor design.

  9. Integrated Network Decompositions and Dynamic Programming for Graph Optimization (INDDGO)

    Energy Science and Technology Software Center (OSTI)

    2012-05-31

    The INDDGO software package offers a set of tools for finding exact solutions to graph optimization problems via tree decompositions and dynamic programming algorithms. Currently the framework offers serial and parallel (distributed memory) algorithms for finding tree decompositions and solving the maximum weighted independent set problem. The parallel dynamic programming algorithm is implemented on top of the MADNESS task-based runtime.

  10. Dynamic Simulation over Long Time Periods with 100% Solar Generation.

    SciTech Connect (OSTI)

    Concepcion, Ricky James; Elliott, Ryan Thomas

    2015-12-01

    This project aimed to identify the path forward for dynamic simulation tools to accommodate these needs by characterizing the properties of power systems (with high PV penetration), analyzing how these properties affect dynamic simulation software, and offering solutions for potential problems.

  11. Molecular dynamics simulation and ab intio studies of electrolytes and

    Office of Energy Efficiency and Renewable Energy (EERE) (indexed site)

    electrolyte/electrode interfaces | Department of Energy 1 DOE Hydrogen and Fuel Cells Program, and Vehicle Technologies Program Annual Merit Review and Peer Evaluation es058_smith_2011_o.pdf (854.25 KB) More Documents & Publications Molecular Dynamics Simulation Studies of Electrolytes and Electrolyte/Electrode Interfaces Molecular dynamics simulation studies of electrolytes and electrolyte/electrode interfaces

  12. X-Band Photoinjector Beam Dynamics

    SciTech Connect (OSTI)

    Zhou, Feng; Adolphsen, Chris; Ding, Yuantao; Li, Zenghai; Vlieks, Arnold; /SLAC

    2011-12-13

    SLAC is studying the feasibility of using an X-band RF photocathode gun to produce low emittance bunches for applications such as a mono-energetic MeV {gamma} ray source (in collaboration with LLNL) and a photoinjector for a compact FEL. Beam dynamics studies are being done for a configuration consisting of a 5.5-cell X-band gun followed by several 53-cell high-gradient X-band accelerator structures. A fully 3D program, ImpactT, is used to track particles taking into account space charge forces, short-range longitudinal and transverse wakefields, and the 3D rf fields in the structures, including the quadrupole component of the couplers. The effect of misalignments of the various elements, including the drive-laser, gun, solenoid and accelerator structures, are evaluated. This paper presents these results and estimates of the expected bunch emittance vs cathode gradient, and the effects of mixing between the fundamental and off-frequency longitudinal modes. An X-band gun at SLAC has been shown to operate reliably with a 200 MV/m acceleration gradient at the cathode, which is nearly twice the 115 MV/m acceleration gradient in the LCLS gun. The higher gradient should roughly balance the space charge related transverse emittance growth for the same bunch charge but provide a 3-4 times shorter bunch length. The shorter length would make the subsequent bunch compression easier and allow for a more effective use of emittance exchange. Such a gun can also be used with an X-band linac to produce a compact FEL or g ray source that would require rf sources of only one frequency for beam generation and acceleration. The feasibility of using an X-band rf photocathode gun and accelerator structures to generate high quality electron beams for compact FELs and g ray sources is being studied at SLAC. Results from the X-band photoinjector beam dynamics studies are reported in this paper.

  13. Ion-ion dynamic structure factor of warm dense mixtures

    DOE PAGES-Beta [OSTI]

    Gill, N. M.; Heinonen, R. A.; Starrett, C. E.; Saumon, D.

    2015-06-25

    In this study, the ion-ion dynamic structure factor of warm dense matter is determined using the recently developed pseudoatom molecular dynamics method [Starrett et al., Phys. Rev. E 91, 013104 (2015)]. The method uses density functional theory to determine ion-ion pair interaction potentials that have no free parameters. These potentials are used in classical molecular dynamics simulations. This constitutes a computationally efficient and realistic model of dense plasmas. Comparison with recently published simulations of the ion-ion dynamic structure factor and sound speed of warm dense aluminum finds good to reasonable agreement. Using this method, we make predictions of the ion-ionmore » dynamical structure factor and sound speed of a warm dense mixture—equimolar carbon-hydrogen. This material is commonly used as an ablator in inertial confinement fusion capsules, and our results are amenable to direct experimental measurement.« less

  14. Ion-ion dynamic structure factor of warm dense mixtures

    SciTech Connect (OSTI)

    Gill, N. M.; Heinonen, R. A.; Starrett, C. E.; Saumon, D.

    2015-06-25

    In this study, the ion-ion dynamic structure factor of warm dense matter is determined using the recently developed pseudoatom molecular dynamics method [Starrett et al., Phys. Rev. E 91, 013104 (2015)]. The method uses density functional theory to determine ion-ion pair interaction potentials that have no free parameters. These potentials are used in classical molecular dynamics simulations. This constitutes a computationally efficient and realistic model of dense plasmas. Comparison with recently published simulations of the ion-ion dynamic structure factor and sound speed of warm dense aluminum finds good to reasonable agreement. Using this method, we make predictions of the ion-ion dynamical structure factor and sound speed of a warm dense mixture—equimolar carbon-hydrogen. This material is commonly used as an ablator in inertial confinement fusion capsules, and our results are amenable to direct experimental measurement.

  15. Co-GISAXS technique for investigating surface growth dynamics

    SciTech Connect (OSTI)

    Rainville, Meliha G.; Hoskin, Christa; Ulbrandt, Jeffrey G.; Narayanan, Suresh; Sandy, Alec R.; Zhou, Hua; Headrick, Randall L.; Ludwig, Jr., Karl F.

    2015-12-08

    Detailed quantitative measurement of surface dynamics during thin film growth is a major experimental challenge. Here X-ray Photon Correlation Spectroscopy with coherent hard X-rays is used in a Grazing-Incidence Small-Angle X-ray Scattering (i.e. Co-GISAXS) geometry as a new tool to investigate nanoscale surface dynamics during sputter deposition of a-Si and a-WSi2 thin films. For both films, kinetic roughening during surface growth reaches a dynamic steady state at late times in which the intensity autocorrelation function g2(q,t) becomes stationary. The g2(q,t) functions exhibit compressed exponential behavior at all wavenumbers studied. The overall dynamics are complex, but the most surface sensitive sections of the structure factor and correlation time exhibit power law behaviors consistent with dynamical scaling.

  16. Dynamic hysteretic sensing model of bending-mode Galfenol transducer

    SciTech Connect (OSTI)

    Cao, Shuying Zheng, Jiaju; Sang, Jie; Zhang, Pengfei; Wang, Bowen; Huang, Wenmei

    2015-05-07

    A dynamic hysteretic sensing model has been developed to predict the dynamic responses of the magnetic induction, the stress, and the output voltage for a bending-mode Galfenol unimorph transducer subjected simultaneously to acceleration and bias magnetic field. This model is obtained by coupling the hysteretic Armstrong model and the structural dynamic model of the Galfenol unimorph beam. The structural dynamic model of the beam is founded based on the Euler-Bernouli beam theory, the nonlinear constitutive equations, and the Faraday law of electromagnetic induction. Comparisons between the calculated and measured results show the model can describe dynamic nonlinear voltage characteristics of the device, and can predict hysteretic behaviors between the magnetic induction and the stress. Moreover, the model can effectively analyze the effects of the bias magnetic field, the acceleration amplitude, and frequency on the root mean square voltage of the device.

  17. Dynamics of solid-containing tanks

    SciTech Connect (OSTI)

    Veletsos, A.S.; Younan, A.H.; Bandyopadhyay, K.

    1997-01-01

    Making use of a relatively simple, approximate but reliable method of analysis, a study is made of the responses to horizontal base shaking of vertical, circular cylindrical tanks that are filled with a uniform viscoelastic material. The method of analysis is described, and comprehensive numerical data are presented that elucidate the underlying response mechanisms and the effects and relative importance of the various parameters involved. In addition to the characteristics of the ground motion and a dimensionless measure of the tank wall flexibility relative to the contained medium, the parameters examined include the ratio of tank-height to tank-radius and the physical properties of the contained material. Both harmonic and earthquake-induced ground motions are considered. The response quantities investigated are the dynamic wall pressures, the critical forces in the tank wall, and the forces exerted on the foundation. Part A of the report deals with rigid tanks while the effects of tank wall flexibility are examined in Part B. A brief account is also given in the latter part of the interrelationship of the critical responses of solid-containing tanks and those induced in tanks storing a liquid of the same mass density.

  18. Dynamic Feed Control For Injection Molding

    DOE Patents [OSTI]

    Kazmer, David O.

    1996-09-17

    The invention provides methods and apparatus in which mold material flows through a gate into a mold cavity that defines the shape of a desired part. An adjustable valve is provided that is operable to change dynamically the effective size of the gate to control the flow of mold material through the gate. The valve is adjustable while the mold material is flowing through the gate into the mold cavity. A sensor is provided for sensing a process condition while the part is being molded. During molding, the valve is adjusted based at least in part on information from the sensor. In the preferred embodiment, the adjustable valve is controlled by a digital computer, which includes circuitry for acquiring data from the sensor, processing circuitry for computing a desired position of the valve based on the data from the sensor and a control data file containing target process conditions, and control circuitry for generating signals to control a valve driver to adjust the position of the valve. More complex embodiments include a plurality of gates, sensors, and controllable valves. Each valve is individually controllable so that process conditions corresponding to each gate can be adjusted independently. This allows for great flexibility in the control of injection molding to produce complex, high-quality parts.

  19. Ab initio non-relativistic spin dynamics

    SciTech Connect (OSTI)

    Ding, Feizhi; Goings, Joshua J.; Li, Xiaosong; Frisch, Michael J.

    2014-12-07

    Many magnetic materials do not conform to the (anti-)ferromagnetic paradigm where all electronic spins are aligned to a global magnetization axis. Unfortunately, most electronic structure methods cannot describe such materials with noncollinear electron spin on account of formally requiring spin alignment. To overcome this limitation, it is necessary to generalize electronic structure methods and allow each electron spin to rotate freely. Here, we report the development of an ab initio time-dependent non-relativistic two-component spinor (TDN2C), which is a generalization of the time-dependent Hartree-Fock equations. Propagating the TDN2C equations in the time domain allows for the first-principles description of spin dynamics. A numerical tool based on the Hirshfeld partitioning scheme is developed to analyze the time-dependent spin magnetization. In this work, we also introduce the coupling between electron spin and a homogenous magnetic field into the TDN2C framework to simulate the response of the electronic spin degrees of freedom to an external magnetic field. This is illustrated for several model systems, including the spin-frustrated Li{sub 3} molecule. Exact agreement is found between numerical and analytic results for Larmor precession of hydrogen and lithium atoms. The TDN2C method paves the way for the ab initio description of molecular spin transport and spintronics in the time domain.

  20. THE INTERIOR DYNAMICS OF WATER PLANETS

    SciTech Connect (OSTI)

    Fu, Roger; O'Connell, Richard J.; Sasselov, Dimitar D. E-mail: richard_oconnell@harvard.ed

    2010-01-10

    The ever-expanding catalog of detected super-Earths calls for theoretical studies of their properties in the case of a substantial water layer. This work considers such water planets with a range of masses and water mass fractions (2-5 M{sub Earth}, 0.02%-50% H{sub 2}O). First, we model the thermal and dynamical structure of the near-surface for icy and oceanic surfaces, finding separate regimes where the planet is expected to maintain a subsurface liquid ocean and where it is expected to exhibit ice tectonics. Newly discovered exoplanets may be placed into one of these regimes given estimates of surface temperature, heat flux, and gravity. Second, we construct a parameterized convection model for the underlying ice mantle of higher ice phases, finding that materials released from the silicate-iron core should traverse the ice mantle on the timescale of 0.1 to 100 megayears. We present the dependence of the overturn times of the ice mantle and the planetary radius on total mass and water mass fraction. Finally, we discuss the implications of these internal processes on atmospheric observables.

  1. Die-target for dynamic powder consolidation

    DOE Patents [OSTI]

    Flinn, John E.; Korth, Gary E.

    1986-01-01

    A die/target is disclosed for consolidation of a powder, especially an atomized rapidly solidified metal powder, to produce monoliths by the dynamic action of a shock wave, especially a shock wave produced by the detonation of an explosive charge. The die/target comprises a rectangular metal block having a square primary surface with four rectangular mold cavities formed therein to receive the powder. The cavities are located away from the geometrical center of the primary surface and are distributed around such center while also being located away from the geometrical diagonals of the primary surface to reduce the action of reflected waves so as to avoid tensile cracking of the monoliths. The primary surface is covered by a powder retention plate which is engaged by a flyer plate to transmit the shock wave to the primary surface and the powder. Spawl plates are adhesively mounted on other surfaces of the block to act as momentum traps so as to reduce reflected waves in the block.

  2. Dynamical limitations to heavy-ion fusion

    SciTech Connect (OSTI)

    Back, B.B.

    1983-01-01

    In spite of the many attempts to synthesize superheavy elements in recent years, these efforts have not yet been successful. Recent improved theoretical models of heavy-ion fusion reactions suggest that the formation of super-heavy elements is hindered by the dynamics of the process. Several recent experiments lend support to these theories. The necessity of an excess radial velocity (extra push) over the Coulomb barrier in order to induce fusion is observed experimentally as predicted by the theory. So is a new reaction mechanism, called quasi-fission which tend to exhaust the part of the reaction cross section, which would otherwise lead to fusion. The present study shows that the angular distribution of fragments from quasi-fission processes are very sensitive to the occurrence of this reaction mechanism. A slight modification of one parameter in the theory demanded by the observation of quasi-fission for lighter projectiles via the angular distributions, has the consequence of posing even more-stringent limitations on heavy-ion-fusion reactions. This reduces even further the possibility for synthesizing and identifying superheavy elements in heavy-ion-fusion reactions.

  3. The photodissociation dynamics of alkyl radicals

    SciTech Connect (OSTI)

    Giegerich, Jens; Fischer, Ingo

    2015-01-28

    The photodisscociation dynamics of the alkyl radicals i-propyl (CH(CH{sub 3}){sub 2}) and t-butyl (C(CH{sub 3}){sub 3}) are investigated by H-atom photofragment imaging. While i-propyl is excited at 250 nm, the photodynamics of t-butyl are explored over a large energy range using excitation wavelengths between 347 nm and 233 nm. The results are compared to those obtained previously for ethyl, CH{sub 3}CH{sub 2}, and to those reported for t-butyl using 248 nm excitation. The translational energy (E{sub T}) distribution of the H-atom photofragments is bimodal and appears rather similar for all three radicals. The low E{sub T} part of the distribution shows an isotropic photofragment angular distribution, while the high E{sub T} part is associated with a considerable anisotropy. Thus, for t-butyl, two H-atom loss channels of roughly equal importance have been identified in addition to the CH{sub 3}-loss channel reported previously. A mechanism for the photodissociation of alkyl radicals is suggested that is based on interactions between Rydberg- and valence states.

  4. Quantum dynamics of fast chemical reactions

    SciTech Connect (OSTI)

    Light, J.C.

    1993-12-01

    The aims of this research are to explore, develop, and apply theoretical methods for the evaluation of the dynamics of gas phase collision processes, primarily chemical reactions. The primary theoretical tools developed for this work have been quantum scattering theory, both in time dependent and time independent forms. Over the past several years, the authors have developed and applied methods for the direct quantum evaluation of thermal rate constants, applying these to the evaluation of the hydrogen isotopic exchange reactions, applied wave packet propagation techniques to the dissociation of Rydberg H{sub 3}, incorporated optical potentials into the evaluation of thermal rate constants, evaluated the use of optical potentials for state-to-state reaction probability evaluations, and, most recently, have developed quantum approaches for electronically non-adiabatic reactions which may be applied to simplify calculations of reactive, but electronically adiabatic systems. Evaluation of the thermal rate constants and the dissociation of H{sub 3} were reported last year, and have now been published.

  5. Molecular dynamics simulations of microscale fluid transport

    SciTech Connect (OSTI)

    Wong, C.C.; Lopez, A.R.; Stevens, M.J.; Plimpton, S.J.

    1998-02-01

    Recent advances in micro-science and technology, like Micro-Electro-Mechanical Systems (MEMS), have generated a group of unique liquid flow problems that involve characteristic length scales of a Micron. Also, in manufacturing processes such as coatings, current continuum models are unable to predict microscale physical phenomena that appear in these non-equilibrium systems. It is suspected that in these systems, molecular-level processes can control the interfacial energy and viscoelastic properties at the liquid/solid boundary. A massively parallel molecular dynamics (MD) code has been developed to better understand microscale transport mechanisms, fluid-structure interactions, and scale effects in micro-domains. Specifically, this MD code has been used to analyze liquid channel flow problems for a variety of channel widths, e.g. 0.005-0.05 microns. This report presents results from MD simulations of Poiseuille flow and Couette flow problems and addresses both scaling and modeling issues. For Poiseuille flow, the numerical predictions are compared with existing data to investigate the variation of the friction factor with channel width. For Couette flow, the numerical predictions are used to determine the degree of slip at the liquid/solid boundary. Finally, the results also indicate that shear direction with respect to the wall lattice orientation can be very important. Simulation results of microscale Couette flow and microscale Poiseuille flow for two different surface structures and two different shear directions will be presented.

  6. Die-target for dynamic powder consolidation

    DOE Patents [OSTI]

    Flinn, J.E.; Korth, G.E.

    1985-06-27

    A die/target is disclosed for consolidation of a powder, especially an atomized rapidly solidified metal powder, to produce monoliths by the dynamic action of a shock wave, especially a shock wave produced by the detonation of an explosive charge. The die/target comprises a rectangular metal block having a square primary surface with four rectangular mold cavities formed therein to receive the powder. The cavities are located away from the geometrical center of the primary surface and are distributed around such center while also being located away from the geometrical diagonals of the primary surface to reduce the action of reflected waves so as to avoid tensile cracking of the monoliths. The primary surface is covered by a powder retention plate which is engaged by a flyer plate to transmit the shock wave to the primary surface and the powder. Spawl plates are adhesively mounted on other surfaces of the block to act as momentum traps so as to reduce reflected waves in the block. 4 figs.

  7. Dynamic compaction of tungsten carbide powder.

    SciTech Connect (OSTI)

    Gluth, Jeffrey Weston; Hall, Clint Allen; Vogler, Tracy John; Grady, Dennis Edward

    2005-04-01

    The shock compaction behavior of a tungsten carbide powder was investigated using a new experimental design for gas-gun experiments. This design allows the Hugoniot properties to be measured with reasonably good accuracy despite the inherent difficulties involved with distended powders. The experiments also provide the first reshock state for the compacted powder. Experiments were conducted at impact velocities of 245, 500, and 711 m/s. A steady shock wave was observed for some of the sample thicknesses, but the remainder were attenuated due to release from the back of the impactor or the edge of the sample. The shock velocity for the powder was found to be quite low, and the propagating shock waves were seen to be very dispersive. The Hugoniot density for the 711 m/s experiment was close to ambient crystal density for tungsten carbide, indicating nearly complete compaction. When compared with quasi-static compaction results for the same material, the dynamic compaction data is seen to be significantly stiffer for the regime over which they overlap. Based on these initial results, recommendations are made for improving the experimental technique and for future work to improve our understanding of powder compaction.

  8. Dynamics of Adipocyte Turnover in Humans

    SciTech Connect (OSTI)

    Spalding, K; Arner, E; Westermark, P; Bernard, S; Buchholz, B; Bergmann, O; Blomqvist, L; Hoffstedt, J; Naslund, E; Britton, T; Concha, H; Hassan, M; Ryden, M; Frisen, J; Arner, P

    2007-07-16

    Obesity is increasing in an epidemic fashion in most countries and constitutes a public health problem by enhancing the risk for cardiovascular disease and metabolic disorders such as type 2 diabetes. Owing to the increase in obesity, life expectancy may start to decrease in developed countries for the first time in recent history. The factors determining fat mass in adult humans are not fully understood, but increased lipid storage in already developed fat cells is thought to be most important. We show that adipocyte number is a major determinant for the fat mass in adults. However, the number of fat cells stays constant in adulthood in lean and obese and even under extreme conditions, indicating that the number of adipocytes is set during childhood and adolescence. To establish the dynamics within the stable population of adipocytes in adults, we have measured adipocyte turnover by analyzing the integration of {sup 14}C derived from nuclear bomb tests in genomic DNA. Approximately 10% of fat cells are renewed annually at all adult ages and levels of body mass index. Neither adipocyte death nor generation rate is altered in obesity, suggesting a tight regulation of fat cell number that is independent of metabolic profile in adulthood. The high turnover of adipocytes establishes a new therapeutic target for pharmacological intervention in obesity.

  9. A dynamical inconsistency of Horava gravity

    SciTech Connect (OSTI)

    Henneaux, Marc; Kleinschmidt, Axel; Lucena Gomez, Gustavo

    2010-03-15

    The dynamical consistency of the nonprojectable version of Horava gravity is investigated by focusing on the asymptotically flat case. It is argued that for generic solutions of the constraint equations the lapse must vanish asymptotically. We then consider particular values of the coupling constants for which the equations are tractable and in that case we prove that the lapse must vanish everywhere--and not only at infinity. Put differently, the Hamiltonian constraints are generically all second-class. We then argue that the same feature holds for generic values of the couplings, thus revealing a physical inconsistency of the theory. In order to cure this pathology, one might want to introduce further constraints but the resulting theory would then lose much of the appeal of the original proposal by Horava. We also show that there is no contradiction with the time-reparametrization invariance of the action, as this invariance is shown to be a so-called 'trivial gauge symmetry' in Horava gravity, hence with no associated first-class constraints.

  10. Expansion techniques for collisionless stellar dynamical simulations

    SciTech Connect (OSTI)

    Meiron, Yohai; Li, Baile; Holley-Bockelmann, Kelly; Spurzem, Rainer

    2014-09-10

    We present graphics processing unit (GPU) implementations of two fast force calculation methods based on series expansions of the Poisson equation. One method is the self-consistent field (SCF) method, which is a Fourier-like expansion of the density field in some basis set; the other method is the multipole expansion (MEX) method, which is a Taylor-like expansion of the Green's function. MEX, which has been advocated in the past, has not gained as much popularity as SCF. Both are particle-field methods and optimized for collisionless galactic dynamics, but while SCF is a 'pure' expansion, MEX is an expansion in just the angular part; thus, MEX is capable of capturing radial structure easily, while SCF needs a large number of radial terms. We show that despite the expansion bias, these methods are more accurate than direct techniques for the same number of particles. The performance of our GPU code, which we call ETICS, is profiled and compared to a CPU implementation. On the tested GPU hardware, a full force calculation for one million particles took ∼0.1 s (depending on expansion cutoff), making simulations with as many as 10{sup 8} particles fast for a comparatively small number of nodes.

  11. Sampling dynamics for pressurized electrochemical cells

    SciTech Connect (OSTI)

    Dufek, Eric J.; Lister, Tedd E.; Stone, Simon G.

    2014-07-01

    A model describing the gas distribution within a constant pressure electrolysis system and how the distribution impacts electrochemical efficiencies is presented. The primary system of interest is the generation of syngas (CO and H2) associated with the co-electrolysis of H2O and CO2. The model developed for this system takes into account the primary process variables of operation including total system pressure, applied current, the in-flow of reactant gases. From these, and the chemical equilibria within the system, the impact on electrochemically generated gases is presented. Comparing the predicted and measured faradaic efficiency of electrode processes with the expected efficiency from experimental data indicates an offset between the two exists. Methods to minimize and account for the discrepancy are presented with the goal of being able to discern, in a real time manner, degradation of electrode performance. Comparison of the model to experimental data shows a strong correlation between the two with slight variation in experimental data which is attributed to reversible system dynamics such as wetting of the gas diffusion electrode used as the cell cathode.

  12. Dynamical Symmetries Reflected in Realistic Interactions

    SciTech Connect (OSTI)

    Sviratcheva, K.D.; Draayer, J.P.; /Louisiana State U.; Vary, J.P.; /Iowa State U. /LLNL, Livermore /SLAC

    2007-04-06

    Realistic nucleon-nucleon (NN) interactions, derived within the framework of meson theory or more recently in terms of chiral effective field theory, yield new possibilities for achieving a unified microscopic description of atomic nuclei. Based on spectral distribution methods, a comparison of these interactions to a most general Sp(4) dynamically symmetric interaction, which previously we found to reproduce well that part of the interaction that is responsible for shaping pairing-governed isobaric analog 0{sup +} states, can determine the extent to which this significantly simpler model Hamiltonian can be used to obtain an approximate, yet very good description of low-lying nuclear structure. And furthermore, one can apply this model in situations that would otherwise be prohibitive because of the size of the model space. In addition, we introduce a Sp(4) symmetry breaking term by including the quadrupole-quadrupole interaction in the analysis and examining the capacity of this extended model interaction to imitate realistic interactions. This provides a further step towards gaining a better understanding of the underlying foundation of realistic interactions and their ability to reproduce striking features of nuclei such as strong pairing correlations or collective rotational motion.

  13. Kinetic simulations of plasmoid chain dynamics

    SciTech Connect (OSTI)

    Markidis, S. [High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden)] [High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden); Henri, P. [Universit de Nice Sophia Antipolis, CNRS, Observatoire de la Cte d'Azur, Nice (France)] [Universit de Nice Sophia Antipolis, CNRS, Observatoire de la Cte d'Azur, Nice (France); Lapenta, G. [Centrum voor Plasma-Astrofysica, Department Wiskunde, Katholieke Universiteit Leuven, Leuven (Belgium)] [Centrum voor Plasma-Astrofysica, Department Wiskunde, Katholieke Universiteit Leuven, Leuven (Belgium); Divin, A. [Swedish Institute of Space Physics, Uppsala (Sweden)] [Swedish Institute of Space Physics, Uppsala (Sweden); Goldman, M.; Newman, D. [Department of Physics and CIPS, University of Colorado, Boulder 80309-0390 (United States)] [Department of Physics and CIPS, University of Colorado, Boulder 80309-0390 (United States); Laure, E. [PDC and High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden)] [PDC and High Performance Computing and Visualization (HPCViz) Department, KTH Royal Institute of Technology, Stockholm (Sweden)

    2013-08-15

    The dynamics of a plasmoid chain is studied with three dimensional Particle-in-Cell simulations. The evolution of the system with and without a uniform guide field, whose strength is 1/3 the asymptotic magnetic field, is investigated. The plasmoid chain forms by spontaneous magnetic reconnection: the tearing instability rapidly disrupts the initial current sheet generating several small-scale plasmoids that rapidly grow in size coalescing and kinking. The plasmoid kink is mainly driven by the coalescence process. It is found that the presence of guide field strongly influences the evolution of the plasmoid chain. Without a guide field, a main reconnection site dominates and smaller reconnection regions are included in larger ones, leading to an hierarchical structure of the plasmoid-dominated current sheet. On the contrary in presence of a guide field, plasmoids have approximately the same size and the hierarchical structure does not emerge, a strong core magnetic field develops in the center of the plasmoid in the direction of the existing guide field, and bump-on-tail instability, leading to the formation of electron holes, is detected in proximity of the plasmoids.

  14. Anticipating the unintended consequences of security dynamics.

    SciTech Connect (OSTI)

    Backus, George A.; Overfelt, James Robert; Malczynski, Leonard A.; Saltiel, David H.; Simon Paul Moulton

    2010-01-01

    In a globalized world, dramatic changes within any one nation causes ripple or even tsunamic effects within neighbor nations and nations geographically far removed. Multinational interventions to prevent or mitigate detrimental changes can easily cause secondary unintended consequences more detrimental and enduring than the feared change instigating the intervention. This LDRD research developed the foundations for a flexible geopolitical and socioeconomic simulation capability that focuses on the dynamic national security implications of natural and man-made trauma for a nation-state and the states linked to it through trade or treaty. The model developed contains a database for simulating all 229 recognized nation-states and sovereignties with the detail of 30 economic sectors including consumers and natural resources. The model explicitly simulates the interactions among the countries and their governments. Decisions among governments and populations is based on expectation formation. In the simulation model, failed expectations are used as a key metric for tension across states, among ethnic groups, and between population factions. This document provides the foundational documentation for the model.

  15. Dynamics of high temperature plasmas. Final report

    SciTech Connect (OSTI)

    Dialetis, D.; Finn, J.; Freund, H.; Mondelli, A.; Ott, E.

    1985-10-01

    Contents include: envelope model for beam transport and focusing in an induction linac; high-current accelerators; free-electron laser studies; laser beat-wave particle acceleration; orbitron maser design; electron-beam stability in the modified betatron; relativistic electron beam diode design; free electron laser application to xuv production and particle acceleration; high-current betatron with stellarator fields; a bumpy-torus betatron; design and operation of a collective millimeter-wave free-electron laser; study of gain, bandwidth, and tunability of a millimeter-wave free-electron laser operating in the collective regime; nonlinear analysis of free-electron-laser amplifiers with axial guide fields; unstable electrostatic beam modes in free-electron-laser systems; three-dimensional theory of free electron lasers with an axial guide field; three-dimensional theory of the free-electron laser in the collective regime; rapid electron beam accelerators; excitation of the plasma waves in the laser beat wave accelerator; dynamics of space-charge waves in the laser beat wave accelerator; finite larmor radius diocotron instability; one dimensional models for relativistic electron beam diode design; collective instabilities and high-gain regime in a free electron laser; and free electron lasers for the xuv spectral region.

  16. Quantum molecular dynamics simulations of dense matter

    SciTech Connect (OSTI)

    Collins, L.; Kress, J.; Troullier, N.; Lenosky, T.; Kwon, I.

    1997-12-31

    The authors have developed a quantum molecular dynamics (QMD) simulation method for investigating the properties of dense matter in a variety of environments. The technique treats a periodically-replicated reference cell containing N atoms in which the nuclei move according to the classical equations-of-motion. The interatomic forces are generated from the quantum mechanical interactions of the (between?) electrons and nuclei. To generate these forces, the authors employ several methods of varying sophistication from the tight-binding (TB) to elaborate density functional (DF) schemes. In the latter case, lengthy simulations on the order of 200 atoms are routinely performed, while for the TB, which requires no self-consistency, upwards to 1000 atoms are systematically treated. The QMD method has been applied to a variety cases: (1) fluid/plasma Hydrogen from liquid density to 20 times volume-compressed for temperatures of a thousand to a million degrees Kelvin; (2) isotopic hydrogenic mixtures, (3) liquid metals (Li, Na, K); (4) impurities such as Argon in dense hydrogen plasmas; and (5) metal/insulator transitions in rare gas systems (Ar,Kr) under high compressions. The advent of parallel versions of the methods, especially for fast eigensolvers, presage LDA simulations in the range of 500--1000 atoms and TB runs for tens of thousands of particles. This leap should allow treatment of shock chemistry as well as large-scale mixtures of species in highly transient environments.

  17. DYNAMICAL MODELING OF GALAXY MERGERS USING IDENTIKIT

    SciTech Connect (OSTI)

    Privon, G. C.; Evans, A. S.; Barnes, J. E.; Hibbard, J. E.; Yun, M. S.; Mazzarella, J. M.; Armus, L.; Surace, J.

    2013-07-10

    We present dynamical models of four interacting systems: NGC 5257/8, The Mice, the Antennae, and NGC 2623. The parameter space of the encounters are constrained using the Identikit model-matching and visualization tool. Identikit utilizes hybrid N-body and test particle simulations to enable rapid exploration of the parameter space of galaxy mergers. The Identikit-derived matches of these systems are reproduced with self-consistent collisionless simulations which show very similar results. The models generally reproduce the observed morphology and H I kinematics of the tidal tails in these systems with reasonable properties inferred for the progenitor galaxies. The models presented here are the first to appear in the literature for NGC 5257/8 and NGC 2623, and The Mice and the Antennae are compared with previously published models. Based on the assumed mass model and our derived initial conditions, the models indicate that the four systems are currently being viewed 175-260 Myr after first passage and cover a wide range of merger stages. In some instances there are mismatches between the models and the data (e.g., in the length of a tail); these are likely due to our adoption of a single mass model for all galaxies. Despite the use of a single mass model, these results demonstrate the utility of Identikit in constraining the parameter space for galaxy mergers when applied to real data.

  18. Computational social dynamic modeling of group recruitment.

    SciTech Connect (OSTI)

    Berry, Nina M.; Lee, Marinna; Pickett, Marc; Turnley, Jessica Glicken; Smrcka, Julianne D.; Ko, Teresa H.; Moy, Timothy David; Wu, Benjamin C.

    2004-01-01

    The Seldon software toolkit combines concepts from agent-based modeling and social science to create a computationally social dynamic model for group recruitment. The underlying recruitment model is based on a unique three-level hybrid agent-based architecture that contains simple agents (level one), abstract agents (level two), and cognitive agents (level three). This uniqueness of this architecture begins with abstract agents that permit the model to include social concepts (gang) or institutional concepts (school) into a typical software simulation environment. The future addition of cognitive agents to the recruitment model will provide a unique entity that does not exist in any agent-based modeling toolkits to date. We use social networks to provide an integrated mesh within and between the different levels. This Java based toolkit is used to analyze different social concepts based on initialization input from the user. The input alters a set of parameters used to influence the values associated with the simple agents, abstract agents, and the interactions (simple agent-simple agent or simple agent-abstract agent) between these entities. The results of phase-1 Seldon toolkit provide insight into how certain social concepts apply to different scenario development for inner city gang recruitment.

  19. Dynamic failure in two-phase materials

    DOE PAGES-Beta [OSTI]

    Fensin, S. J.; Walker, E. K.; Cerreta, E. K.; Trujillo, C. P.; Martinez, D. T.; Gray, G. T.

    2015-12-21

    Previous experimental research has shown that microstructural features such as interfaces, inclusions, vacancies, and heterogeneities can all act as voidnucleation sites. However, it is not well understood how important these interfaces are to damage evolution and failure as a function of the surrounding parentmaterials. In this work, we present results on three different polycrystallinematerials: (1) Cu, (2) Cu-24 wt. %Ag, and (3) Cu-15 wt. %Nb which were studied to probe the influence of bi-metal interfaces onvoidnucleation and growth. These materials were chosen due to the range of difference in structure and bulk properties between the two phases. The initial resultsmore » suggest that when there are significant differences between the bulk properties (for example: stacking fault energy, melting temperature, etc.) the type of interface between the two parent materials does not principally control the damage nucleation and growth process. Rather, it is the “weaker” material that dictates the dynamic spall strength of the overall two-phase material.« less

  20. Dynamical dipole gamma radiation in heavy-ion collisions on the basis of a quantum molecular dynamics model

    SciTech Connect (OSTI)

    Wu, H. L.; Tian, W. D.; Ma, Y. G.; Cai, X. Z.; Chen, J. G.; Fang, D. Q.; Guo, W.; Wang, H. W.

    2010-04-15

    Dynamical dipole gamma-ray emission in heavy-ion collisions is explored in the framework of the quantum molecular dynamics model. The studies are focused on systems of {sup 40}Ca bombarding {sup 48}Ca and its isotopes at different incident energies and impact parameters. Yields of gamma rays are calculated and the centroid energy and dynamical dipole emission width of the gamma spectra are extracted to investigate the properties of gamma emission. In addition, sensitivities of dynamical dipole gamma-ray emission to the isospin and the symmetry energy coefficient of the equation of state are studied. The results show that detailed study of dynamical dipole gamma radiation can provide information on the equation of state and the symmetry energy around the normal nuclear density.

  1. Preparatory steps for a robust dynamic model for organically bound tritium dynamics in agricultural crops

    SciTech Connect (OSTI)

    Melintescu, A.; Galeriu, D.; Diabate, S.; Strack, S.

    2015-03-15

    The processes involved in tritium transfer in crops are complex and regulated by many feedback mechanisms. A full mechanistic model is difficult to develop due to the complexity of the processes involved in tritium transfer and environmental conditions. First, a review of existing models (ORYZA2000, CROPTRIT and WOFOST) presenting their features and limits, is made. Secondly, the preparatory steps for a robust model are discussed, considering the role of dry matter and photosynthesis contribution to the OBT (Organically Bound Tritium) dynamics in crops.

  2. First principles molecular dynamics without self-consistent field optimization

    SciTech Connect (OSTI)

    Souvatzis, Petros; Niklasson, Anders M. N.

    2014-01-28

    We present a first principles molecular dynamics approach that is based on time-reversible extended Lagrangian Born-Oppenheimer molecular dynamics [A. M. N. Niklasson, Phys. Rev. Lett. 100, 123004 (2008)] in the limit of vanishing self-consistent field optimization. The optimization-free dynamics keeps the computational cost to a minimum and typically provides molecular trajectories that closely follow the exact Born-Oppenheimer potential energy surface. Only one single diagonalization and Hamiltonian (or Fockian) construction are required in each integration time step. The proposed dynamics is derived for a general free-energy potential surface valid at finite electronic temperatures within hybrid density functional theory. Even in the event of irregular functional behavior that may cause a dynamical instability, the optimization-free limit represents a natural starting guess for force calculations that may require a more elaborate iterative electronic ground state optimization. Our optimization-free dynamics thus represents a flexible theoretical framework for a broad and general class of ab initio molecular dynamics simulations.

  3. Role of methyl groups in dynamics and evolution of biomolecules

    SciTech Connect (OSTI)

    Nickels, Jonathan D [ORNL; Curtis, J. E. [National Institute of Standards and Technology (NIST), Gaithersburg, MD; Oneill, Hugh [Oak Ridge National Laboratory (ORNL); Sokolov, Alexei P [ORNL

    2012-01-01

    Recent studies have discovered strong differences between the dynamics of nucleic acids (RNA and DNA) and proteins, especially at low hydration and low temperatures. This difference is caused primarily by dynamics of methyl groups that are abundant in proteins, but are absent or very rare in RNA and DNA. In this paper, we present a hypothesis regarding the role of methyl groups as intrinsic plasticizers in proteins and their evolutionary selection to facilitate protein dynamics and activity. We demonstrate the profound effect methyl groups have on protein dynamics relative to nucleic acid dynamics, and note the apparent correlation of methyl group content in protein classes and their need for molecular flexibility. Moreover, we note the fastest methyl groups of some enzymes appear around dynamical centers such as hinges or active sites. Methyl groups are also of tremendous importance from a ydrophobicity/folding/entropy perspective. These significant roles, however, complement our hypothesis rather than preclude the recognition of methyl groups in the dynamics and evolution of biomolecules.

  4. Ancillary-service details: Dynamic scheduling

    SciTech Connect (OSTI)

    Hirst, E.; Kirby, B.

    1997-01-01

    Dynamic scheduling (DS) is the electronic transfer from one control area to another of the time-varying electricity consumption associated with a load or the time-varying electricity production associated with a generator. Although electric utilities have been using this technique for at least two decades, its use is growing in popularity and importance. This growth is a consequence of the major changes under way in US bulk-power markets, in particular efforts to unbundle generation from transmission and to increase competition among generation providers. DS can promote competition and increase choices. It allows consumers to purchase certain services from entities outside their physical-host area and it allows generators to sell certain services to entities other than their physical host. These services include regulation (following minute-to-minute variations in load) and operating reserves, among others. Such an increase in the number of possible suppliers and customers should encourage innovation and reduce the costs and prices of providing electricity services. The purpose of the project reported here was to collect and analyze data on utility experiences with DS. Chapter 2 provides additional details and examples of the definitions of DS. Chapter 3 explains why DS might be an attractive service that customers and generators, as well as transmission providers, might wan to use. Chapter 4 presents some of the many current DS examples the authors uncovered in their interviews. Chapter 5 discusses the costs and cost-effectiveness of DS. Chapter 6 explains what they believe can and cannot be electronically moved from one control area to another, primarily in terms of the six ancillary services that FERC defined in Order 888. Chapter 7 discusses the need for additional research on DS.

  5. Dynamic Multiscale Averaging (DMA) of Turbulent Flow

    SciTech Connect (OSTI)

    Richard W. Johnson

    2012-09-01

    A new approach called dynamic multiscale averaging (DMA) for computing the effects of turbulent flow is described. The new method encompasses multiple applications of temporal and spatial averaging, that is, multiscale operations. Initially, a direct numerical simulation (DNS) is performed for a relatively short time; it is envisioned that this short time should be long enough to capture several fluctuating time periods of the smallest scales. The flow field variables are subject to running time averaging during the DNS. After the relatively short time, the time-averaged variables are volume averaged onto a coarser grid. Both time and volume averaging of the describing equations generate correlations in the averaged equations. These correlations are computed from the flow field and added as source terms to the computation on the next coarser mesh. They represent coupling between the two adjacent scales. Since they are computed directly from first principles, there is no modeling involved. However, there is approximation involved in the coupling correlations as the flow field has been computed for only a relatively short time. After the time and spatial averaging operations are applied at a given stage, new computations are performed on the next coarser mesh using a larger time step. The process continues until the coarsest scale needed is reached. New correlations are created for each averaging procedure. The number of averaging operations needed is expected to be problem dependent. The new DMA approach is applied to a relatively low Reynolds number flow in a square duct segment. Time-averaged stream-wise velocity and vorticity contours from the DMA approach appear to be very similar to a full DNS for a similar flow reported in the literature. Expected symmetry for the final results is produced for the DMA method. The results obtained indicate that DMA holds significant potential in being able to accurately compute turbulent flow without modeling for practical

  6. Semiclassical instability of dynamical warp drives

    SciTech Connect (OSTI)

    Finazzi, Stefano; Liberati, Stefano; Barcelo, Carlos

    2009-06-15

    Warp drives are very interesting configurations in general relativity: At least theoretically, they provide a way to travel at superluminal speeds, albeit at the cost of requiring exotic matter to exist as solutions of Einstein's equations. However, even if one succeeded in providing the necessary exotic matter to build them, it would still be necessary to check whether they would survive to the switching on of quantum effects. Semiclassical corrections to warp-drive geometries have been analyzed only for eternal warp-drive bubbles traveling at fixed superluminal speeds. Here, we investigate the more realistic case in which a superluminal warp drive is created out of an initially flat spacetime. First of all we analyze the causal structure of eternal and dynamical warp-drive spacetimes. Then we pass to the analysis of the renormalized stress-energy tensor (RSET) of a quantum field in these geometries. While the behavior of the RSET in these geometries has close similarities to that in the geometries associated with gravitational collapse, it shows dramatic differences too. On one side, an observer located at the center of a superluminal warp-drive bubble would generically experience a thermal flux of Hawking particles. On the other side, such Hawking flux will be generically extremely high if the exotic matter supporting the warp drive has its origin in a quantum field satisfying some form of quantum inequalities. Most of all, we find that the RSET will exponentially grow in time close to, and on, the front wall of the superluminal bubble. Consequently, one is led to conclude that the warp-drive geometries are unstable against semiclassical backreaction.

  7. Dynamic Analysis of Fuel Cycle Transitioning

    SciTech Connect (OSTI)

    Brent Dixon; Steve Piet; David Shropshire; Gretchen Matthern

    2009-09-01

    This paper examines the time-dependent dynamics of transitioning from a once-through fuel cycle to a closed fuel cycle. The once-through system involves only Light Water Reactors (LWRs) operating on uranium oxide fuel UOX), while the closed cycle includes both LWRs and fast spectrum reactors (FRs) in either a single-tier system or two-tier fuel system. The single-tier system includes full transuranic recycle in FRs while the two-tier system adds one pass of mixed oxide uranium-plutonium (MOX U-Pu) fuel in the LWR. While the analysis primarily focuses on burner fast reactors, transuranic conversion ratios up to 1.0 are assessed and many of the findings apply to any fuel cycle transitioning from a thermal once-through system to a synergistic thermal-fast recycle system. These findings include uranium requirements for a range of nuclear electricity growth rates, the importance of back end fuel cycle facility timing and magnitude, the impact of employing a range of fast reactor conversion ratios, system sensitivity to used fuel cooling time prior to recycle, impacts on a range of waste management indicators, and projected electricity cost ranges for once-through, single-tier and two-tier systems. The study confirmed that significant waste management benefits can be realized as soon as recycling is initiated, but natural uranium savings are minimal in this century. The use of MOX in LWRs decouples the development of recycle facilities from fast reactor fielding, but also significantly delays and limits fast reactor deployment. In all cases, fast reactor deployment was significantly below than predicted by static equilibrium analyses.

  8. Thermal transpiration: A molecular dynamics study

    SciTech Connect (OSTI)

    T, Joe Francis; Sathian, Sarith P.

    2014-12-09

    Thermal transpiration is a phenomenon where fluid molecules move from the cold end towards the hot end of a channel under the influence of longitudinal temperature gradient alone. Although the phenomenon of thermal transpiration is observed at rarefied gas conditions in macro systems, the phenomenon can occur at atmospheric pressure if the characteristic dimensions of the channel is less than 100 nm. The flow through these nanosized channels is characterized by the free molecular flow regimes and continuum theory is inadequate to describe the flow. Thus a non-continuum method like molecular dynamics (MD) is necessary to study such phenomenon. In the present work, MD simulations were carried out to investigate the occurance of thermal transpiration in copper and platinum nanochannels at atmospheric pressure conditions. The mean pressure of argon gas confined inside the nano channels was maintained around 1 bar. The channel height is maintained at 2nm. The argon atoms interact with each other and with the wall atoms through the Lennard-Jones potential. The wall atoms are modelled using an EAM potential. Further, separate simulations were carried out where a Harmonic potential is used for the atom-atom interaction in the platinum channel. A thermally insulating wall was introduced between the low and high temperature regions and those wall atoms interact with fluid atoms through a repulsive potential. A reduced cut off radius were used to achieve this. Thermal creep is induced by applying a temperature gradient along the channel wall. It was found that flow developed in the direction of the increasing temperature gradient of the wall. An increase in the volumetric flux was observed as the length of the cold and the hot regions of the wall were increased. The effect of temperature gradient and the wall-fluid interaction strength on the flow parameters have been studied to understand the phenomenon better.

  9. galpy: A python LIBRARY FOR GALACTIC DYNAMICS

    SciTech Connect (OSTI)

    Bovy, Jo

    2015-02-01

    I describe the design, implementation, and usage of galpy, a python package for galactic-dynamics calculations. At its core, galpy consists of a general framework for representing galactic potentials both in python and in C (for accelerated computations); galpy functions, objects, and methods can generally take arbitrary combinations of these as arguments. Numerical orbit integration is supported with a variety of Runge-Kutta-type and symplectic integrators. For planar orbits, integration of the phase-space volume is also possible. galpy supports the calculation of action-angle coordinates and orbital frequencies for a given phase-space point for general spherical potentials, using state-of-the-art numerical approximations for axisymmetric potentials, and making use of a recent general approximation for any static potential. A number of different distribution functions (DFs) are also included in the current release; currently, these consist of two-dimensional axisymmetric and non-axisymmetric disk DFs, a three-dimensional disk DF, and a DF framework for tidal streams. I provide several examples to illustrate the use of the code. I present a simple model for the Milky Way's gravitational potential consistent with the latest observations. I also numerically calculate the Oort functions for different tracer populations of stars and compare them to a new analytical approximation. Additionally, I characterize the response of a kinematically warm disk to an elliptical m = 2 perturbation in detail. Overall, galpy consists of about 54,000 lines, including 23,000 lines of code in the module, 11,000 lines of test code, and about 20,000 lines of documentation. The test suite covers 99.6% of the code. galpy is available at http://github.com/jobovy/galpy with extensive documentation available at http://galpy.readthedocs.org/en/latest.

  10. Integrated computer simulation on FIR FEL dynamics

    SciTech Connect (OSTI)

    Furukawa, H.; Kuruma, S.; Imasaki, K.

    1995-12-31

    An integrated computer simulation code has been developed to analyze the RF-Linac FEL dynamics. First, the simulation code on the electron beam acceleration and transport processes in RF-Linac: (LUNA) has been developed to analyze the characteristics of the electron beam in RF-Linac and to optimize the parameters of RF-Linac. Second, a space-time dependent 3D FEL simulation code (Shipout) has been developed. The RF-Linac FEL total simulations have been performed by using the electron beam data from LUNA in Shipout. The number of particles using in a RF-Linac FEL total simulation is approximately 1000. The CPU time for the simulation of 1 round trip is about 1.5 minutes. At ILT/ILE, Osaka, a 8.5MeV RF-Linac with a photo-cathode RF-gun is used for FEL oscillation experiments. By using 2 cm wiggler, the FEL oscillation in the wavelength approximately 46 {mu}m are investigated. By the simulations using LUNA with the parameters of an ILT/ILE experiment, the pulse shape and the energy spectra of the electron beam at the end of the linac are estimated. The pulse shape of the electron beam at the end of the linac has sharp rise-up and it slowly decays as a function of time. By the RF-linac FEL total simulations with the parameters of an ILT/ILE experiment, the dependencies of the start up of the FEL oscillations on the pulse shape of the electron beam at the end of the linac are estimated. The coherent spontaneous emission effects and the quick start up of FEL oscillations have been observed by the RF-Linac FEL total simulations.

  11. Glassy dynamics of hydrogen-bonded heteroditopic molecules

    SciTech Connect (OSTI)

    Lou, Nan; Wang, Yangyang; Li, Haixia; Sokolov, Alexei P; Xiong, Huiming

    2012-01-01

    A self-complementary heteroditopic molecule composed of thymine and diamidopyridine end groups and a flexible aliphatic interconnecting chain has been synthesized. The glassy dynamics of this hydrogen-bonded supramolecule have been investigated by using dielectric and rheological measurements, in combination with infra-red spectroscopy and solid-state 13C NMR experiments. Decoupling of main dielectric relaxation from viscosity has been found in the vicinity of the glass transition and the temperature dependence of viscosity appears to be stronger than that of dielectric relaxation. The unusual dynamic decoupling phenomenon is ascribed to the chemical/dynamic heterogeneity and formation of hydrogen bonds in the supramolecules.

  12. Temperature dependent droplet impact dynamics on flat and textured surfaces

    SciTech Connect (OSTI)

    Azar Alizadeh; Vaibhav Bahadur; Sheng Zhong; Wen Shang; Ri Li; James Ruud; Masako Yamada; Liehi Ge; Ali Dhinojwala; Manohar S Sohal

    2012-03-01

    Droplet impact dynamics determines the performance of surfaces used in many applications such as anti-icing, condensation, boiling and heat transfer. We study impact dynamics of water droplets on surfaces with chemistry/texture ranging from hydrophilic to superhydrophobic and across a temperature range spanning below freezing to near boiling conditions. Droplet retraction shows very strong temperature dependence especially for hydrophilic surfaces; it is seen that lower substrate temperatures lead to lesser retraction. Physics-based analyses show that the increased viscosity associated with lower temperatures can explain the decreased retraction. The present findings serve to guide further studies of dynamic fluid-structure interaction at various temperatures.

  13. Universal dynamical decoupling of multiqubit states from environment

    SciTech Connect (OSTI)

    Jiang, Liang; Imambekov, Adilet

    2011-12-15

    We study the dynamical decoupling of multiqubit states from environment. For a system of m qubits, the nested Uhrig dynamical decoupling (NUDD) sequence can efficiently suppress generic decoherence induced by the system-environment interaction to order N using (N+1){sup 2m} pulses. We prove that the NUDD sequence is universal, i.e., it can restore the coherence of an m-qubit quantum system independent of the details of the system-environment interaction. We also construct a general mapping between dynamical decoupling problems and discrete quantum walks in certain functional spaces.

  14. Quantum field theory of classically unstable Hamiltonian dynamics

    SciTech Connect (OSTI)

    Strauss, Y.; Horwitz, L. P.; Levitan, J.; Yahalom, A.

    2015-07-15

    We study a class of dynamical systems for which the motions can be described in terms of geodesics on a manifold (ordinary potential models can be cast into this form by means of a conformal map). It is rigorously proven that the geodesic deviation equation of Jacobi, constructed with a second covariant derivative, is unitarily equivalent to that of a parametric harmonic oscillator, and we study the second quantization of this oscillator. The excitations of the Fock space modes correspond to the emission and absorption of quanta into the dynamical medium, thus associating unstable behavior of the dynamical system with calculable fluctuations in an ensemble with possible thermodynamic consequences.

  15. Reaction Dynamics and Spectroscopy of Hydrocarbons in Plasma

    SciTech Connect (OSTI)

    Braams, Bastiaan J.

    2014-03-24

    This grant supported research in theoretical and computational Chemical Physics that resulted in numerous publications on fitting ab initio potential energy surfaces and dipole moment surfaces of polyatomic molecules and cations. This work made use of novel fitting methods that ensures that these surfaces are invariant with respect to all permutations of like atoms. The surfaces were used in various dynamics calculations, ranging from quantum vibrational dynamics to(quasi)classical trajectory calculations of reaction dynamics. A number of these studies were done in collaboration with experimental groups where the theoretical analyses turned out to be essential to give a proper understanding of the experimental results.

  16. Symmetry and conservation laws in semiclassical wave packet dynamics

    SciTech Connect (OSTI)

    Ohsawa, Tomoki

    2015-03-15

    We formulate symmetries in semiclassical Gaussian wave packet dynamics and find the corresponding conserved quantities, particularly the semiclassical angular momentum, via Noether’s theorem. We consider two slightly different formulations of Gaussian wave packet dynamics; one is based on earlier works of Heller and Hagedorn and the other based on the symplectic-geometric approach by Lubich and others. In either case, we reveal the symplectic and Hamiltonian nature of the dynamics and formulate natural symmetry group actions in the setting to derive the corresponding conserved quantities (momentum maps). The semiclassical angular momentum inherits the essential properties of the classical angular momentum as well as naturally corresponds to the quantum picture.

  17. Dynamics of micelle-nanoparticle systems undergoing shear: a coarse-grained molecular dynamics approach

    SciTech Connect (OSTI)

    Rolfe, Bryan A.; Chun, Jaehun; Joo, Yong L.

    2013-09-05

    Recent experimental work has shown that polymeric micelles can template nanoparticles via interstitial sites in shear-ordered micelle solutions. In the current study, we report simulation results based on a coarse-grained molecular dynamics (CGMD) model of a solvent/polymer/nanoparticle system. Our results demonstrate the importance of polymer concentration and the micelle corona length in 2D shear-ordering of neat block copolymer solutions. Although our results do not show strong 3D ordering during shear, we find that cessation of shear allows the system to relax into a 3D configuration of greater order than without shear. It is further shown that this post-shear relaxation is strongly dependent on the length of the micelle corona. For the first time, we demonstrate the presence and importance of a flow disturbance surrounding micelles in simple shear flow at moderate Pclet numbers. This disturbance is similar to what is observed around simulated star polymers and ellipsoids. The extent of the flow disturbance increases as expected with a longer micelle corona length. It is further suggested that without proper consideration of these dynamics, a stable nanoparticle configuration would be difficult to obtain.

  18. Non-equilibrium dynamics in disordered materials: Ab initio molecular dynamics simulations

    SciTech Connect (OSTI)

    Ohmura, Satoshi; Nagaya, Kiyonobu; Yao, Makoto; Shimojo, Fuyuki

    2015-08-17

    The dynamic properties of liquid B{sub 2}O{sub 3} under pressure and highly-charged bromophenol molecule are studied by using molecular dynamics (MD) simulations based on density functional theory (DFT). Diffusion properties of covalent liquids under high pressure are very interesting in the sense that they show unexpected pressure dependence. It is found from our simulation that the magnitude relation of diffusion coefficients for boron and oxygen in liquid B{sub 2}O{sub 3} shows the anomalous pressure dependence. The simulation clarified the microscopic origin of the anomalous diffusion properties. Our simulation also reveals the dissociation mechanism in the coulomb explosion of the highly-charged bromophenol molecule. When the charge state n is 6, hydrogen atom in the hydroxyl group dissociates at times shorter than 20 fs while all hydrogen atoms dissociate when n is 8. After the hydrogen dissociation, the carbon ring breaks at about 100 fs. There is also a difference on the mechanism of the ring breaking depending on charge states, in which the ring breaks with expanding (n = 6) or shrink (n = 8)

  19. Reaction dynamics and photochemistry of divalent systems

    SciTech Connect (OSTI)

    Davis, H.F.

    1992-05-01

    Results are presented of molecular beam studies of bimolecular and unimolecular reactions of Ba. Chapter 1 discusses the reaction Ba + NO{sub 2}. Formation of the dominant BaO({sup 1}{Sigma}) + NO products resulted primarily from decay of long-lived Ba{sup +}NO{sub 2}{sup {minus}} collision complexes. Secondary mechanisms led to formation of forward scattered, internally excited BaO, and BaNO + O. D{sub o}(Ba-NO) = 65{plus_minus}20 kcal/mol. Reactions of ground state and electronically excited Ba with water and alcohols are examined in Chapter 2. Reaction of Ba({sup 1}S) + H{sup 2}O led to BaO + H{sub 2}, whereas excited state Ba({sup 1}D) + H{sub 2}O reacted to form BaOH + H. Collisions between Ba and CH{sub 3}OH led to BaOCH{sub 3} + H. Radical channels involve H-atom migration and are promoted by excitation of the incident Ba atom. In Chapter 3, reactions of Ba({sup 1}S) with ClO{sub 2}2 and O{sub 3} are discussed. Again, direct and complex mechanisms were observed. Formation of BaCl + O{sub 2} from decomposition of Ba{sup +}ClO{sub 2}{sup {minus}} accounted for 10% of total reaction crass section. Although Ba + O{sub 3} {yields} BaO + 0{sub 2} occurs primarily by direct reaction mechanisms, the secondary channel Ba + 0{sub 3} {yields} BaO{sub 2} + 0 involved decay of long lived Ba{sup +}O{sub 3}{sup {minus}} intermediates. D{sub o}(Ba{minus}O{sub 2}) = 120 {plus_minus}20 kcal/mol. Photodissociation dynamics of NO{sub 3} is explored in chapter 4. Visible excitation leads to formation of NO + 0{sub 2} and NO{sub 2} + O. Wavelength dependence of branching ratios is investigated. D{sub o}(O-NO{sub 2}) = 48.55 kcal/mole ;and calculate {Delta}H{sub f}(NO{sub 3}) = 17.75 kcal/mole (298K). Chapter 5 discusses the photodissociation of OClO in a molecular beam. Although ClO({sup 2}II) + O({sup 3}P) is dominant, Cl({sup 2}P) + O{sub 2} also forms, with a max yield of 3.9{plus_minus}0.8% near 404nm.

  20. Dynamical Models of the Excitations of Nucleon Resonances

    DOE PAGES-Beta [OSTI]

    T. Sato; Lee, T.-S. H.

    2009-05-01

    The development of a dynamical model for investigating the nucleon resonances using the reactions of meson production frommore » $$\\pi N$$, $$\\gamma N$$, $N(e,e')$, and $$N(\