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Sample records for organic-metal interface energetics

  1. Formation of an Organic/Metal Interface State from a Shockley Resonance.

    PubMed

    Galbraith, Martin C E; Marks, Manuel; Tonner, Ralf; Höfer, Ulrich

    2014-01-01

    The emergence of an organic/metal interface state is studied for the interface between 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) and Ag(100) by means of time- and angle-resolved two-photon photoemission and density functional theory. The interface state is located in the projected band gap of Ag(100), 2.3 eV above the Fermi level, and has an electron lifetime in the 10 fs range. The interface state has no direct counterpart on the clean Ag(100) surface, which only exhibits a broad resonance at ≈1 eV lower energy. Our results thus show that organic overlayers are able to shift such a resonance substantially and even qualitatively change its character to a distinct electronic state at the interface. PMID:26276180

  2. Formation of dispersive hybrid bands at an organic-metal interface.

    PubMed

    Gonzalez-Lakunza, N; Fernández-Torrente, I; Franke, K J; Lorente, N; Arnau, A; Pascual, J I

    2008-04-18

    An electronic band with quasi-one-dimensional dispersion is found at the interface between a monolayer of a charge-transfer complex (TTF-TCNQ) and a Au(111) surface. Combined local spectroscopy and numerical calculations show that the band results from a complex mixing of metal and molecular states. The molecular layer folds the underlying metal states and mixes with them selectively, through the TTF component, giving rise to anisotropic hybrid bands. Our results suggest that, by tuning the components of such molecular layers, the dimensionality and dispersion of organic-metal interface states can be engineered. PMID:18518142

  3. IDEA: interface dynamics and energetics algorithm.

    PubMed

    Duca, D; Barone, G; Giuffrida, S; Varga, Zs

    2007-11-30

    IDEA, interface dynamics and energetics algorithm, was implemented, in FORTRAN, under different operating systems to mimic dynamics and energetics of elementary events involved in interfacial processes. The code included a parallel elaboration scheme in which both the stochastic and the deterministic components, involved in the developed physical model, worked simultaneously. IDEA also embodied an optionally running VISUAL subroutine, showing the dynamic energy changes caused by the surface events, e.g., occurring at the gas-solid interface. Monte Carlo and ordinary differential equation system subroutines were employed in a synergistic way to drive the occurrence of the elementary events and to manage the implied energy flows, respectively. Biphase processes, namely isothermal and isobaric adsorption of carbon monoxide on nickel, palladium, and platinum surfaces, were first studied to test the capability of the code in modeling real frames. On the whole, the simulated results showed that IDEA could reproduce the inner characteristics of the studied systems and predict properties not yet experimentally investigated. PMID:17721923

  4. Energetics of the Semiconductor-Electrolyte Interface.

    ERIC Educational Resources Information Center

    Turner, John A.

    1983-01-01

    The use of semiconductors as electrodes for electrochemistry requires an understanding of both solid-state physics and electrochemistry, since phenomena associated with both disciplines are seen in semiconductor/electrolyte systems. The interfacial energetics of these systems are discussed. (JN)

  5. Self-organized metal networks at ion-etched Cu/Si and Ag/Si interfaces

    SciTech Connect

    Stepanova, M.; Dew, S.K.; Karpuzov, D.S.

    2005-04-15

    We report self-organized metal nanopatterns on Si substrates produced by ion beam etching. We have deposited thin layers of metal such as Cu or Ag on Si substrates and then etched the deposited layers by a 1-5 keV Ar{sup +} ion beam at room temperature. At the stage when the metal-Si interface is reached, we have observed networks of metal clusters on the Si substrate with the characteristic size of 30-60 nm for Cu and 100-200 nm for Ag. The Cu patterns are sensitive to the ion energy. At 1 keV energy, we observe a well-defined Cu network, whereas at 3-5 keV energy, the Cu pattern becomes fuzzy without clear boundaries. To systematize and explain our results, we have suggested a kinetic model that combines ion etching and coarsening of the metal clusters on Si substrates. From our kinetic Monte Carlo simulations, we have found that the cooperative effect of coarsening and etching has a regime when the size of metal clusters can be approximated by the expression a(4D/aR){sup 1/3}, where D is the surface diffusivity of metal adatoms on the Si substrate, R is the etch rate, and a is the interatomic distance. Our synergistic model of coarsening and sputtering explains the observed difference in Cu and Ag cluster sizes and predicts the fuzzy Cu patterns at elevated ion energies.

  6. The interplay between interface structure, energy level alignment and chemical bonding strength at organic-metal interfaces.

    PubMed

    Willenbockel, M; Lüftner, D; Stadtmüller, B; Koller, G; Kumpf, C; Soubatch, S; Puschnig, P; Ramsey, M G; Tautz, F S

    2015-01-21

    What do energy level alignments at metal-organic interfaces reveal about the metal-molecule bonding strength? Is it permissible to take vertical adsorption heights as indicators of bonding strengths? In this paper we analyse 3,4,9,10-perylene-tetracarboxylic acid dianhydride (PTCDA) on the three canonical low index Ag surfaces to provide exemplary answers to these questions. Specifically, we employ angular resolved photoemission spectroscopy for a systematic study of the energy level alignments of the two uppermost frontier states in ordered monolayer phases of PTCDA. Data are analysed using the orbital tomography approach. This allows the unambiguous identification of the orbital character of these states, and also the discrimination between inequivalent species. Combining this experimental information with DFT calculations and the generic Newns-Anderson chemisorption model, we analyse the alignments of highest occupied and lowest unoccupied molecular orbitals (HOMO and LUMO) with respect to the vacuum levels of bare and molecule-covered surfaces. This reveals clear differences between the two frontier states. In particular, on all surfaces the LUMO is subject to considerable bond stabilization through the interaction between the molecular π-electron system and the metal, as a consequence of which it also becomes occupied. Moreover, we observe a larger bond stabilization for the more open surfaces. Most importantly, our analysis shows that both the orbital binding energies of the LUMO and the overall adsorption heights of the molecule are linked to the strength of the chemical interaction between the molecular π-electron system and the metal, in the sense that stronger bonding leads to shorter adsorption heights and larger orbital binding energies. PMID:25475998

  7. Interface energetics of polyfluorene and fluorene-arylamine copolymers

    NASA Astrophysics Data System (ADS)

    Hwang, Jaehyung; Kahn, Antoine

    2006-08-01

    The energy level alignment at interfaces between poly(9,9'-dioctylfluorene) (F8), poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-diphenylamine) (TFB) and poly(9,9'-dioctylfluorene-co-bis-N,N'-(4-butylphenyl)-bis-N,N'-phenyl-1,4-phenylenediamine) (PFB) and substrates with work function ranging from 4.3 eV to 5.1 eV is investigated via ultra-violet photoemission spectroscopy. Vacuum level alignment with flat bands away from the interface is found when the interface hole barrier is 0.6 eV or larger. Band bending that moves the filled states away from the Fermi level occurs when the hole barrier is smaller than 0.4 eV. This is presumably due to the accumulation of excess interface charges on the polymer side when the interfacial barrier is small. The resulting field shifts the polymer levels in a way that limits charge penetration in the bulk of the film. We also study metal-on-polymer interfaces. Different metals exhibit different growth modes. While Pt shows complete layer-by-layer type of growth, Al shows island type of growth. Current-voltage measurement shows the presence of hole traps in the Au-on top-contact device, suggesting diffusion of small Au clusters into the polymer film. Furthermore, metal-on-polymer interfaces frequently present different interface energetics than their polymer-on-metal counterpart. e.g. a 0.3 - 0.4 eV higher hole injection barrier for Pt-on-TFB than TFB on Pt.

  8. Tuning hole-injection barriers at organic/metal interfaces exploiting the orientation of a molecular acceptor interlayer

    NASA Astrophysics Data System (ADS)

    Niederhausen, J.; Amsalem, P.; Frisch, J.; Wilke, A.; Vollmer, A.; Rieger, R.; Müllen, K.; Rabe, J. P.; Koch, N.

    2011-10-01

    Ultraviolet photoelectron spectroscopy was used to demonstrate organic/metal-contact charge injection barrier tuning by exploiting the orientation-dependent work function ϕ of a molecular acceptor [hexaazatriphenylene-hexanitrile (HATCN)] interlayer on Ag(111). The work function ϕ of a flat-lying HATCN monolayer on Ag was 4.6 eV (similar to a pristine Ag electrode), whereas a layer of edge-on HATCN on Ag exhibited ϕ of 5.5 eV (comparable to a pristine Au electrode). The hole-injection barriers (HIBs) between HATCN-modified electrodes and the organic semiconductors tris(8-hydroxyquinoline)aluminum (Alq3) and N,N'-bis(1-naphtyhl)-N,N'-diphenyl-1,1'-biphenyl-4.4'-diamine (α-NPD) were reduced by more than 1 eV compared to pristine Ag and Au electrodes. Noteworthy, the HIBs determined with the flat-lying HATCN interlayer were lower than those obtained for pristine Ag substrates (ϕ of both electrodes is 4.6 eV), and the HIBs with the edge-on HATCN on Ag were lower than those found for pristine Au (ϕ of both electrodes ca. 5.4 eV). This shows that acceptor interlayers are beneficial for charge injection in electronic devices even when the molecularly modified electrode ϕ is comparable to that of a pristine metal surface. It is argued that the molecularly modified electrodes are electronically more rigid than their pristine metal counterparts, i.e., the electron spill-out at the organic-terminated surface is less pronounced compared to Ag and Au surfaces.

  9. Energy transfer at gas-liquid interface: Towards energetic materials

    NASA Astrophysics Data System (ADS)

    Szabo, Tamas

    Physicochemical surface processes have great importance in the different fields of everyday life and science. Computational characterization of collisional energy transfer at a gas-liquid interface is a helpful tool to interpret recent experimental studies and to yield insight into the energy feedback mechanism of multiphase combustion problems. As a first step, a simple Lennard-Jones system was used to investigate the dependence of the collisional energy transfer and the gas atom trapping probabilities on the temperature of the bulk liquid, on the gas/liquid particle mass ratios, on the incident angle of the impinging projectile, and on the gas-liquid interaction strength. We find in accord with the experimental results that the kinematic effects dominate the energy transfer dynamics, but the importance of the role of surface roughening as the temperature of the liquid increases is also seen. The second system, nitromethane was chosen to extend the range of simulations. It is a molecular model system, representing nitramine-type energetic materials. Having had a good potential description for the nitromethane molecule including all internal degrees of freedom, we generated simplified molecular systems based on the original nitromethane model to isolate particular features of the dynamics. We have investigated the effect of the initial incident energy, of the inclusion of the internal degrees of freedom, of the initial incident kinetic energy and of the gas-surface interaction strength. The incorporation of internal degrees of freedom enhanced the collisional energy transfer. These calculations also point to the importance of simple kinematics as it predicts the increase of the ratio of energy transferred with increased initial incident energy of the gas particle.

  10. Stream interfaces and energetic ions closer than expected: Analyses of Pioneers 10 and 11 observations

    NASA Technical Reports Server (NTRS)

    Intriligator, Devrie S.; Siscoe, George L.

    1994-01-01

    An empirical study of corotating interaction regions (CIRs) observed between 3.9 AU and 5.9 AU on Pioneers 10 and 11 shows that the main corotation energetic ion population (CEIP), which is associated with the trailing reverse shock, terminates within the CIR at a definite, structural boundary, which we show here is the stream interface. This new result has significant implications for solar wind and energetic particle modeling. In particular it implies either that the reverse shock forms closer to the stream interface than models suggest or that the theories that treat the generation and transport of these energetic ions, such as preshock Fermi acceleration and cross-field diffusion must be combined or extended. We test these scenarios by comparing the CEIP intensity profiles on the two sides of the stream interface. We find that while each automatically accounts for one or two aspects of the results none of them alone can account for all of our empirical results.

  11. Stream interfaces and energetic ions II: Ulysses test of Pioneer results

    NASA Technical Reports Server (NTRS)

    Intriligator, Devrie S.; Siscoe, George L.; Wibberenz, Gerd; Kunow, Horst; Gosling, John T.

    1995-01-01

    Ulysses measurements of energetic and solar wind particles taken near 5 AU between 20 and 30 degrees south latitude during a well-developed recurring corotating interaction region (CIR) show that the CIR's corotating energetic ion population (CEIP) associated with the trailing reverse shock starts within the CIR at the stream interface. This is consistent with an earlier result obtained by Pioneers 10 and 11 in the ecliptic plane between 4 and 6 AU. The Ulysses/Pioneer finding is noteworthy since the stream interface is not magnetically connected to the reverse shock, but lies 12-17 corotation hours from it. Thus, the finding seems to be inconsistent with the basic model that generates CEIP particles at the reverse shock and propagates them along field lines. Eliminating the inconsistency probably entails an extension of the standard model such as cross-field diffusion or a non-shock energization process operating near the stream interface closer to the sun.

  12. Packing Interface Energetics in Different Crystal Forms of the λ Cro Dimer

    PubMed Central

    Ahlstrom, Logan S.; Miyashita, Osamu

    2014-01-01

    Variation among crystal structures of the λ Cro dimer highlights conformational flexibility. The structures range from a wild type closed to a mutant fully open conformation, but it is unclear if each represents a stable solution state or if one may be the result of crystal packing. Here we use molecular dynamics (MD) simulation to investigate the energetics of crystal packing interfaces and the influence of site-directed mutagenesis on them, in order to examine the effect of crystal packing on wild type and mutant Cro dimer conformation. Replica exchange MD of mutant Cro in solution shows that the observed conformational differences between the wild type and mutant protein are not the direct consequence of mutation. Instead, simulation of Cro in different crystal environments reveals that mutation affects the stability of crystal forms. Molecular Mechanics Poisson-Boltzmann Surface Area binding energy calculations reveal the detailed energetics of packing interfaces. Packing interfaces can have diverse properties in strength, energetic components, and some are stronger than the biological dimer interface. Further analysis shows that mutation can strengthen packing interfaces by as much as ~5 kcal/mol in either crystal environment. Thus, in the case of Cro, mutation provides an additional energetic contribution during crystal formation that may stabilize a fully open higher energy state. Moreover, the effect of mutation in the lattice can extend to packing interfaces not involving mutation sites. Our results provide insight into possible models for the effect of crystallization on Cro conformational dynamics and emphasize careful consideration of protein crystal structures. PMID:24218107

  13. Wetting and energetics of solid Au and Au-Ge/SiC interfaces

    SciTech Connect

    Wang, Z.; Wynblatt, P.

    1998-09-01

    A solid state wetting technique has been used to investigate the effects of alloying Au with Ge on the wetting and energetics of Au/SiC interfaces at 1123 K. Germanium was found to segregate to the Au/SiC interface, thereby lowering the contact angle of Au on SiC from 133 to 110, and doubling the work of adhesion of Au on SiC. Calculations based on a monolayer model predict a segregation of 0.89 monolayers of Ge at the Au/SiC interface for Au containing 2.3 at.% Ge. This agrees reasonably well with a coverage of 0.6 monolayers Ge at the Au/SiC interface obtained by direct measurements based on the crater edge profiling technique. The work also demonstrates that simple models of interfacial composition can be combined with the Gibbs adsorption isotherm to provide reliable estimates of interfacial composition at complex four-component interfaces.

  14. Burial Level Change Defines a High Energetic Relevance for Protein Binding Interfaces.

    PubMed

    Li, Zhenhua; He, Ying; Wong, Limsoon; Li, Jinyan

    2015-01-01

    Protein-protein interfaces defined through atomic contact or solvent accessibility change are widely adopted in structural biology studies. But, these definitions cannot precisely capture energetically important regions at protein interfaces. The burial depth of an atom in a protein is related to the atom's energy. This work investigates how closely the change in burial level of an atom/residue upon complexation is related to the binding. Burial level change is different from burial level itself. An atom deeply buried in a monomer with a high burial level may not change its burial level after an interaction and it may have little burial level change. We hypothesize that an interface is a region of residues all undergoing burial level changes after interaction. By this definition, an interface can be decomposed into an onion-like structure according to the burial level change extent. We found that our defined interfaces cover energetically important residues more precisely, and that the binding free energy of an interface is distributed progressively from the outermost layer to the core. These observations are used to predict binding hot spots. Our approach's F-measure performance on a benchmark dataset of alanine mutagenesis residues is much superior or similar to those by complicated energy modeling or machine learning approaches. PMID:26357227

  15. Stream interfaces and energetic ions 2: Ulysses test of Pioneer results

    NASA Technical Reports Server (NTRS)

    Intriligator, Devrie S.; Siscoe, George L.; Wibberez, Gerd; Kunow, Horst; Gosling, John T.

    1995-01-01

    Ulysses measurements of energetic and solar wind particles taken near 5 AU between 20 and 30 degrees south latitude during a well-developed recurring corotating interaction region (CIR) show that the CIR's corotating energetic ion population (CEIP) associated with the trailing reverse shock starts within the CIR at the stream interface. This is consistent with an earlier result obtained by Pioneers 10 and 11 in the ecliptic plane between 4 and 6 AU. The Ulysses/Pioneer finding noteworthy since the stream interface is not magnetically connected to the reverse shock but lies 12-17 corotation hours from it. Thus, the finding to be inconsistent with the basic model that generates CEIP particles at the reverse shock and propagates them along field lines Eliminating the inconsistency probably entails an extension of the standard model. We consider two possible extensions cross-field diffusion and energetic particles generation closer to the sun in the gap between the stream interface and the reverse shock.

  16. Structural and energetic requirements for a second binding site at the dimeric β-lactoglobulin interface.

    PubMed

    Bello, Martiniano

    2016-09-01

    Through experimental and theoretical approaches, it has been shown that bovine β-lactoglobulin (βlg) uses its hydrophobic cavity or calyx as the primary binding site for hydrophobic molecules, whereas the existence of a second ligand binding site at the dimeric interface has only been structurally identified for vitamin D3 (VD3). This binding exists even in the thermally denatured state, suggesting the prevalence of this secondary site. Although crystallographic experiments have suggested that VD3 can bind to both monomeric and dimeric states without significant structural differences, theoretical and experimental reports have proposed some structural requirements. Thus, in this study, based on known experimental data, the dynamic interaction of VD3 with the monomeric or dimeric forms of βlg was investigated through a protocol combining blind docking and 2 microsecond molecular dynamics simulations coupled with binding free energy and per-residue binding free energy decomposition analyses using the Molecular Mechanics Generalized Born Surface Area approach. Binding free energy calculations allowed us to estimate the energetic differences of coupling VD3 at the calyx and the dimeric interface for the monomeric or dimeric state, revealing that the dimeric structure is required to form a stable complex with VD3 at the dimeric interface. This also has an important impact on the dimerization process, whereas although the monomeric state also forms a stable complex with VD3 at the dimeric interface, the incorporation of the entropy component contributed to producing a marginally favorable binding free energy. Finally, the per-residue decomposition analysis provided energetic information about the most relevant residues in stabilizing the different systems. PMID:26375627

  17. Temperature Dependence and Energetics of Single Ions at the Aqueous Liquid-Vapor Interface

    PubMed Central

    Ou, Shuching; Patel, Sandeep

    2014-01-01

    We investigate temperature-dependence of free energetics with two single halide anions, I− and Cl−, crossing the aqueous liquid-vapor interface through molecular dynamics simulations. The result shows that I− has a modest surface stability of 0.5 kcal/mol at 300 K and the stability decreases as the temperature increases, indicating the surface adsorption process for the anion is entropically disfavored. In contrast, Cl− shows no such surface state at all temperatures. Decomposition of free energetics reveals that water-water interactions provide a favorable enthalpic contribution, while the desolvation of ion induces an increase in free energy. Calculations of surface fluctuations demonstrate that I− generates significantly greater interfacial fluctuations compared to Cl−. The fluctuation is attributed to the malleability of the solvation shells, which allows for more long-ranged perturbations and solvent density redistribution induced by I− as the anion approaches the liquid-vapor interface. The increase in temperature of the solvent enhances the inherent thermally-excited fluctuations and consequently reduces the relative contribution from anion to surface fluctuations, which is consistent with the decrease in surface-stability of I−. Our results indicate a strong correlation with induced interfacial fluctuations and anion surface stability; moreover, resulting temperature dependent behavior of induced fluctuations suggests the possibility of a critical level of induced fluctuations associated with surface stability. PMID:23537166

  18. Energetics of conjugated polymer and electrode interfaces in light emitting diode

    NASA Astrophysics Data System (ADS)

    Hwang, Jaehyung

    Recently, polymers have emerged as strong candidates for various semiconductor device applications. The physical and electrical properties of these polymer semiconductors are drastically different from those of inorganic semiconductors, and a solid understanding of these properties is necessary in order to further develop polymer electronics. This work concentrates on polymers for light emitting diode (LED) devices, which is the most promising application in polymer electronics. Understanding and control of charge injection from anode/cathode to active (light emitting) layer are crucial for high efficiency LED. To understand the charge injection efficiency, the energy band alignment and their impact on charge injection at polymer-electrode interfaces are investigated with a range of electron spectroscopies and electrical measurements. First, electronic structure of the best known hole injecting polymer (i.e., anode), poly(3,4-ethylene-dioxythiophene) -- poly(styrene-sulfonate) (PEDOT-PSS) is studied. We investigate the unique shell -- like structure of the PEDOT-PSS and its impact on the electrical properties. The role of PSS surface layer in enhancing the hole injection efficiency into the active layer is discussed. The electronic structures of two light emitting conjugated polymers, poly(9,9'-dioctylfluorene) (F8, also known as PFO) and poly(9,9'-dioctylfluorene- co-bis-N,N'-(4-butylphenyl) diphenylamine) (TFB), are also studied by various methods. The alignment of the energy levels at the anode and the cathode interfaces is investigated in detail. Different mechanisms seem to apply for the energy level alignment at the anode and the cathode. We discuss the difference in the light of different degrees of contamination at the interface which results from different processing conditions. Finally, a modification of energetics of polymer-anode interface by doping is discussed. We propose a co-solution doping method suitable for solution processed polymer material

  19. Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface.

    PubMed

    Karnes, John J; Benjamin, Ilan

    2016-07-01

    Molecular dynamics simulations and umbrella sampling free energy calculations are used to examine the thermodynamics, energetics, and structural fluctuations that accompany the transfer of a small hydrophilic ion (Cl(-)) across the water/nitrobenzene interface. By examining several constrained interface structures, we isolate the energetic costs of interfacial deformation and co-transfer of hydration waters during the ion transfer. The process is monitored using both energy-based solvation coordinates and a geometric coordinate recently introduced by Morita and co-workers to describe surface fluctuations. Our simulations show that these coordinates provide a complimentary description of the water surface fluctuations during the transfer and are necessary for elucidating the mechanism of the ion transfer. PMID:27394115

  20. Geometric and energetic considerations of surface fluctuations during ion transfer across the water-immiscible organic liquid interface

    NASA Astrophysics Data System (ADS)

    Karnes, John J.; Benjamin, Ilan

    2016-07-01

    Molecular dynamics simulations and umbrella sampling free energy calculations are used to examine the thermodynamics, energetics, and structural fluctuations that accompany the transfer of a small hydrophilic ion (Cl-) across the water/nitrobenzene interface. By examining several constrained interface structures, we isolate the energetic costs of interfacial deformation and co-transfer of hydration waters during the ion transfer. The process is monitored using both energy-based solvation coordinates and a geometric coordinate recently introduced by Morita and co-workers to describe surface fluctuations. Our simulations show that these coordinates provide a complimentary description of the water surface fluctuations during the transfer and are necessary for elucidating the mechanism of the ion transfer.

  1. Stream interfaces and energetic ions in corotating interaction regions: Ulysses test of Pioneer results

    SciTech Connect

    Intriligator, Devrie S.; Siscoe, George L.; Wibberenz, Gerd; Kunow, Horst; Gosling, John T.

    1996-07-20

    Ulysses measurements of energetic solar wind ions (5-23 MeV) associated with the trailing reverse shock found to be consistent with an earlier result obtained by Pioneers. The observations cover the middle latitude region 20-30 deg.of south heliosphere.

  2. Stream interfaces and energetic ions in corotating interaction regions: Ulysses test of Pioneer results

    SciTech Connect

    Intriligator, D.S.; Siscoe, G.L. |; Wibberenz, G.; Kunow, H.; Gosling, J.T.

    1996-07-01

    Ulysses measurements of energetic solar wind ions (5-23 MeV) associated with the trailing reverse shock found to be consistent with an earlier result obtained by Pioneers. The observations cover the middle latitude region 20-30 deg.of south heliosphere. {copyright} {ital 1996 American Institute of Physics.}

  3. Energetics and Solvation Effects at the Photoanode/Catalyst Interface: Ohmic Contact versus Schottky Barrier.

    PubMed

    Ping, Yuan; Goddard, William A; Galli, Giulia A

    2015-04-29

    The design of optimal interfaces between photoelectrodes and catalysts is a key challenge in building photoelectrochemical cells to split water. Iridium dioxide (IrO2) is an efficient catalyst for oxygen evolution, stable in acidic conditions, and hence a good candidate to be interfaced with photoanodes. Using first-principles quantum mechanical calculations, we investigated the structural and electronic properties of tungsten trioxide (WO3) surfaces interfaced with an IrO2 thin film. We built a microscopic model of the interface that exhibits a formation energy lower than the surface energy of the most stable IrO2 surface, in spite of a large lattice mismatch, and has no impurity states pinning the Fermi level. We found that, upon full coverage of WO3 by IrO2, the two oxides form undesirable Ohmic contacts. However, our calculations predicted that if both oxides are partially exposed to water solvent, the relative position of the absorber conduction band and the catalyst Fermi level favors charge transfer to the catalyst and hence water splitting. We propose that, for oxide photoelectrodes interfaced with IrO2, it is advantageous to form rough interfaces with the catalyst, e.g., by depositing nanoparticles, instead of sharp interfaces with thin films. PMID:25867053

  4. Energetic and solvation effects at photoanode-catalyst interfaces: IrO2 /WO3

    NASA Astrophysics Data System (ADS)

    Ping, Yuan; Goddard, William, III; Galli, Giulia

    2015-03-01

    One key challenge in building photo-electrochemical cells to split water is to engineer interfaces between photo-electrodes and catalysts that are stable in harsh pH conditions and permit optimal charge transfer. Iridium oxide is the only known catalyst for oxygen evolution stable in acidic conditions and hence a good candidate to be interfaced with photo-anodes. Using ab initio calculations, we investigated the structural and electronic properties of tungsten trioxide surfaces interfaced with an iridium dioxide thin film. We built a microscopic model of the interface that exhibits a formation energy lower than the surface energy of the most stable IrO2 surface, in spite of a large lattice mismatch, and we found no impurity states pinning the Fermi level. Both within Density Functional and many body perturbation theory (GW), we found that the two oxides form undesirable Ohmic contacts, when an IrO2 thin film fully covers WO3. However, our calculations predicted that if the morphology of the catalyst allows for partial exposure of the two oxides to water, then Schottky barriers may be formed, which favor charge transfer and hence water splitting. This work suggests ways to optimize light-absorber-catalyst interfaces for optimal charge transport. This work is supported by Joint Center for Artificial Photosynthesis.

  5. Structure-based energetics of protein interfaces guides foot-and-mouth disease virus vaccine design.

    PubMed

    Kotecha, Abhay; Seago, Julian; Scott, Katherine; Burman, Alison; Loureiro, Silvia; Ren, Jingshan; Porta, Claudine; Ginn, Helen M; Jackson, Terry; Perez-Martin, Eva; Siebert, C Alistair; Paul, Guntram; Huiskonen, Juha T; Jones, Ian M; Esnouf, Robert M; Fry, Elizabeth E; Maree, Francois F; Charleston, Bryan; Stuart, David I

    2015-10-01

    Virus capsids are primed for disassembly, yet capsid integrity is key to generating a protective immune response. Foot-and-mouth disease virus (FMDV) capsids comprise identical pentameric protein subunits held together by tenuous noncovalent interactions and are often unstable. Chemically inactivated or recombinant empty capsids, which could form the basis of future vaccines, are even less stable than live virus. Here we devised a computational method to assess the relative stability of protein-protein interfaces and used it to design improved candidate vaccines for two poorly stable, but globally important, serotypes of FMDV: O and SAT2. We used a restrained molecular dynamics strategy to rank mutations predicted to strengthen the pentamer interfaces and applied the results to produce stabilized capsids. Structural analyses and stability assays confirmed the predictions, and vaccinated animals generated improved neutralizing-antibody responses to stabilized particles compared to parental viruses and wild-type capsids. PMID:26389739

  6. Structure and energetics of model amphiphilic molecules at the water liquid-vapor interface - A molecular dynamics study

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Benjamin, Ilan

    1993-01-01

    A molecular dynamics study of adsorption of p-n-pentylphenol at infinite dilution at the water liquid-vapor interface is reported. The calculated free energy of adsorption is -8.8 +/- 0.7 kcal/mol, in good agreement with the experimental value of -7.3 kcal/mol. The transition between the interfacial region and the bulk solution is sharp and well-defined by energetic, conformational, and orientational criteria. At the water surface, the phenol head group is mostly immersed in aqueous solvent. The most frequent orientation of the hydrocarbon tail is parallel to the interface, due to dispersion interactions with the water surface. This arrangement of the phenol ring and the alkyl chain requires that the chain exhibits a kink. As the polar head group is being moved into the solvent, the chain length increases and the tail becomes increasingly aligned toward the surface normal, such that the nonpolar part of the molecule exposed to water is minimized. The same effect was achieved when phenol was replaced by a more polar head group, phenolate.

  7. Interface Energetics in Organo-Metallic Halide Perovskite-based Photovoltaic Cells

    NASA Astrophysics Data System (ADS)

    Schulz, Philip

    2015-03-01

    In my presentation I will talk about the most recent findings on the electronic structure of methylammonium lead tri-halide (MAPbX3, X =I, Br) perovskite films and their interfaces to adjacent transport layers. Intricate knowledge of the electronic alignment at the contact interfaces in perovskite solar cells is essential for the understanding of the working principle as well as improving design and thus performance of respective devices. In our studies we employ ultra-violet, X-ray and inverse photoemission spectroscopy (UPS, XPS, IPES) to directly determine valence and conduction band offsets. In this way we are able to report a direct measurement of the electronic band gap as well as ionization energy and electron affinity found for perovskite surfaces. Furthermore, our findings indicate that the electronic energy level alignment of adjacent organic hole transport layers, such as spiro-MeOTAD, can limit the maximum attainable open circuit voltage (Voc) in solar cells if the highest occupied molecular orbital of the hole transport material is not well aligned to the valence band maximum of the perovskite layer. Using better suited hole transporters, like CBP, values for Voc larger than 1.5 V could be achieved in the case of MAPbBr3 based devices. More recently, inverted perovskite solar cells based on nickel oxide bottom anodes have been reported to yield viable power conversion efficiencies and stability. We find that the interface between the p-doped NiO surface and the MAPbI3 layer on top lead to p-type perovskite filsm while the same material deposited on TiO2 in the conventional cell geometry turns out to be n-type. A further investigation of a C60 layer deposited on top of p-type perovskite films reveals an ideal alignment between the lowest unoccupied molecular orbital of the organic electron transport materials and the conduction band minimum of the perovskite film underneath. These results explain why the inverted solar cell structure could achieve

  8. Energetics and bonding properties of the Ni /{beta}-SiC (001) interface: An abinitio study

    SciTech Connect

    Profeta, G.; Continenza, A.; Freeman, A. J.

    2001-07-15

    We investigate the adsorption of a Ni monolayer on the {beta}-SiC (001) surface by means of highly precise first-principles all-electron full-potential linearized augmented plane wave calculations. Total-energy calculations for the Si- and C-terminated surfaces reveal high Ni-SiC adsorption energies, with respect to other metals, confirmining the strong reactivity and the stability of the transition metal/SiC interface. These high binding energies, about 7.3--7.4 eV, are shown to be related to strong p-d hybridization, common to both surface terminations and different adsorption sites and despite the large mismatch, can stabilize overlayer growth. A detailed analysis of the bonding mechanism, hybridization of the surface states, charge transfer, and surface core level shifts reveals the strong covalent character of the bonding. After a proper accounting of the Madelung term, the core-level shift is shown to follow the charge-transfer trend.

  9. Burning Rate of Energetic Materials with Thermal Expansion and Interface Curvature

    NASA Astrophysics Data System (ADS)

    Kuznetsov, Igor; Stewart, D. Scott

    2003-11-01

    We present a study of the flame structure of combusting solid propellants that focuses on the effects that can be attributed to the thermal properties in the solid, as well as on those of the gas/solid interface curvature. A nonlinear heat equation for a burning thermo-elastic solid with temperature-dependent specific heat, thermal expansion and thermal conductivity coefficients is solved with different model assumptions, analytically and numerically. Explicit expressions are derived for the regression rate of the propellant surface as a function of surface temperature. The structure of propellant flame is studied to identify the influence of temperature dependent material properties on the regression rate, surface temperature and flame stand-off distance. Results are displayed for HMX and AP and compared to experimental data and direct numerical simulation. The model is extended to two dimensions to study surface curvature effects in a limit of small curvature and analytical formula for the combusting surface regression rate as function of the curvature are obtained.

  10. Energetic optimization of a piezo-based touch-operated button for man-machine interfaces

    NASA Astrophysics Data System (ADS)

    Sun, Hao; de Vries, Theo J. A.; de Vries, Rene; van Dalen, Harry

    2012-03-01

    This paper discusses the optimization of a touch-operated button for man-machine interfaces based on piezoelectric energy harvesting techniques. In the mechanical button, a common piezoelectric diaphragm, is assembled to harvest the ambient energy from the source, i.e. the operator’s touch. Under touch force load, the integrated diaphragm will have a bending deformation. Then, its mechanical strain is converted into the required electrical energy by means of the piezoelectric effect presented to the diaphragm. Structural design (i) makes the piezoceramic work under static compressive stress instead of static or dynamic tensile stress, (ii) achieves a satisfactory stress level and (iii) provides the diaphragm and the button with a fatigue lifetime in excess of millions of touch operations. To improve the button’s function, the effect of some key properties consisting of dimension, boundary condition and load condition on electrical behavior of the piezoelectric diaphragm are evaluated by electromechanical coupling analysis in ANSYS. The finite element analysis (FEA) results indicate that the modification of these properties could enhance the diaphragm significantly. Based on the key properties’ different contributions to the improvement of the diaphragm’s electrical energy output, they are incorporated into the piezoelectric diaphragm’s redesign or the structural design of the piezo-based button. The comparison of the original structure and the optimal result shows that electrical energy stored in the diaphragm and the voltage output are increased by 1576% and 120%, respectively, and the volume of the piezoceramic is reduced to 33.6%. These results will be adopted to update the design of the self-powered button, thus enabling a large decrease of energy consumption and lifetime cost of the MMI.

  11. Photochemical deterioration of the organic/metal contacts in organic optoelectronic devices

    SciTech Connect

    Wang Qi; Williams, Graeme; Aziz, Hany; Tsui Ting

    2012-09-15

    We study the effect of exposure to light on a wide range of organic/metal contacts that are commonly used in organic optoelectronic devices and found that irradiation by light in the visible and UV range results in a gradual deterioration in their electrical properties. This photo-induced contact degradation reduces both charge injection (i.e., from the metal to the organic layer) and charge extraction (i.e., from the organic layer to the metal). X-ray photoelectron spectroscopy (XPS) measurements reveal detectable changes in the interface characteristics after irradiation, indicating that the photo-degradation is chemical in nature. Changes in XPS characteristics after irradiation suggests a possible reduction in bonds associated with organic-metal complexes. Measurements of interfacial adhesion strength using the four-point flexure technique reveal a decrease in organic/metal adhesion in irradiated samples, consistent with a decrease in metal-organic bond density. The results shed the light on a new material degradation mechanism that appears to have a wide presence in organic/metal interfaces in general, and which likely plays a key role in limiting the stability of various organic optoelectronic devices such as organic light emitting devices, organic solar cells, and organic photo-detectors.

  12. When hole extraction determines charge transfer across metal-organic-metal structure

    NASA Astrophysics Data System (ADS)

    Govor, L. V.; Reiter, G.; Parisi, J.

    2016-03-01

    We examined the charge transfer in metal-organic-metal structure, where the contact resistance of the extracting interface is larger than the resistance of the organic crystalline material and the resistance of the injecting interface. If direct tunneling (low voltage) and Fowler-Nordheim tunnelling (high voltage) across both interfaces take place, part of the injected holes remains located in the organic crystal because of the blocking action of the extracting interface, but not because of traps within the organic crystalline material (which was negligible). If Fowler-Nordheim tunneling across the injecting interface and direct tunneling across the extracting interface take place for high voltages, the latter leads to the deviation of the total current-voltage characteristic from the power law I∼ Vγ with γ>2 to Ohm's law with γ≃1.0 .

  13. Healable supramolecular polymers as organic metals.

    PubMed

    Armao, Joseph J; Maaloum, Mounir; Ellis, Thomas; Fuks, Gad; Rawiso, Michel; Moulin, Emilie; Giuseppone, Nicolas

    2014-08-13

    Organic materials exhibiting metallic behavior are promising for numerous applications ranging from printed nanocircuits to large area electronics. However, the optimization of electronic conduction in organic metals such as charge-transfer salts or doped conjugated polymers requires high crystallinity, which is detrimental to their processability. To overcome this problem, the combination of the electronic properties of metal-like materials with the mechanical properties of soft self-assembled systems is attractive but necessitates the absence of structural defects in a regular lattice. Here we describe a one-dimensional supramolecular polymer in which photoinduced through-space charge-transfer complexes lead to highly coherent domains with delocalized electronic states displaying metallic behavior. We also reveal that diffusion of supramolecular polarons in the nanowires repairs structural defects thereby improving their conduction. The ability to access metallic properties from mendable self-assemblies extends the current understanding of both fields and opens a wide range of processing techniques for applications in organic electronics. PMID:25053238

  14. Centrarchid Energetics

    SciTech Connect

    Bevelhimer, Mark S; Breck, Dr. James

    2009-06-01

    This chapter contains sections titled: (1) Introduction; (2) Centrarchid bioenergetics models; (3) Food consumption and feeding energetics; (4) Metabolic rate; (5) Energetic wastes (egestion, excretion, and SDA); (6) Growth energetics; (7) Reproductive energetics; (8) Synthesis; (9) Research needs; and (10) References.

  15. Quasiparticles and Fermi liquid behaviour in an organic metal

    PubMed Central

    Kiss, T.; Chainani, A.; Yamamoto, H.M.; Miyazaki, T.; Akimoto, T.; Shimojima, T.; Ishizaka, K.; Watanabe, S.; Chen, C.-T.; Fukaya, A.; Kato, R.; Shin, S.

    2012-01-01

    Many organic metals display exotic properties such as superconductivity, spin-charge separation and so on and have been described as quasi-one-dimensional Luttinger liquids. However, a genuine Fermi liquid behaviour with quasiparticles and Fermi surfaces have not been reported to date for any organic metal. Here, we report the experimental Fermi surface and band structure of an organic metal (BEDT-TTF)3Br(pBIB) obtained using angle-resolved photoelectron spectroscopy, and show its consistency with first-principles band structure calculations. Our results reveal a quasiparticle renormalization at low energy scales (effective mass m*=1.9 me) and ω2 dependence of the imaginary part of the self energy, limited by a kink at ~50 meV arising from coupling to molecular vibrations. The study unambiguously proves that (BEDT-TTF)3Br(pBIB) is a quasi-2D organic Fermi liquid with a Fermi surface consistent with Shubnikov-de Haas results. PMID:23011143

  16. CdSe/beta-Pb0.33V2O5 heterostructures: Nanoscale semiconductor interfaces with tunable energetic configurations for solar energy conversion and storage

    NASA Astrophysics Data System (ADS)

    Milleville, Christopher C.

    charge transfer of CdSe/β-Pb0.33V¬2O5 and CdSe/V2O5 heterostructures. TA measurements indicate that, for both types of heterostructures, photoexcitation of CdSe QDs was followed by a transfer of electrons to the conduction band of β-Pb0.33V¬2O5 and holes to the mid-gap states of β-Pb0.33V¬2O5. Ultrafast transient absoprtion measurements revealed that holes actually transferred before electrons, on time scales of ca. 2 ps. In contrast, for analogous heterostructures consisting of CdSe QDs interfaced with V2O5, only electron transfer was observed. In addition, electron transfer was readily achieved for SILAR-prepared heterostructures; however, for LAA-prepared heterostructures, electron transfer was observed only upon excitation at energies substantially greater than the bandgap absorption threshold of CdSe. Transient absorbance decay traces revealed longer excited-state lifetimes (1‑3 μs) for CdSe/β Pb0.33V2O5 heterostructures relative to bare β-Pb0.33V2O5 NWs (0.2 to 0.6 μs); the difference was attributed to surface passivation of intrinsic surface defects in β-Pb0.33V2O5 upon interfacing with CdSe. In an effort to improve the energetic offset in QD/β-Pb0.33V2O5 heterostructures, cadmium sulfide (CdS) QDs were used in place of CdSe QDs. X-ray photoelectron spectroscopy (XPS) valence band spectra of CdS/β-Pb0.33V2O5 and CdSe/β-Pb0.33V2O5 revealed a greater binding energy onset for CdS compared to CdSe. Binding energy onsets of 1.33 (± 0.03) and 0.92 (± 0.02) eV were determined for Cys-CdS/β Pb0.33V2O5 and Cys-CdSe/β Pb0.33V2O5, respectively; suggesting a 0.41 (±0.04) eV decrease in the free energy (ΔG) needed for hole transfer from the valence band edge of the QDs to the mid-gap states. Linear sweep voltammetry was employed to measure the photocatalytic activity of CdSe/β Pb0.33V2O5 heterostructures in electrolytes containing ascorbic acid as a sacrificial proton donor. Preliminary photoelectrochemical measurements on CdSe/β-Pb0.33V2O5 electrodes

  17. Energetic composites

    DOEpatents

    Danen, Wayne C.; Martin, Joe A.

    1993-01-01

    A method for providing chemical energy and energetic compositions of matter consisting of thin layers of substances which will exothermically react with one another. The layers of reactive substances are separated by thin layers of a buffer material which prevents the reactions from taking place until the desired time. The reactions are triggered by an external agent, such as mechanical stress or an electric spark. The compositions are known as metastable interstitial composites (MICs). This class of compositions includes materials which have not previously been capable of use as energetic materials. The speed and products of the reactions can be varied to suit the application.

  18. Energetic composites

    DOEpatents

    Danen, W.C.; Martin, J.A.

    1993-11-30

    A method for providing chemical energy and energetic compositions of matter consisting of thin layers of substances which will exothermically react with one another. The layers of reactive substances are separated by thin layers of a buffer material which prevents the reactions from taking place until the desired time. The reactions are triggered by an external agent, such as mechanical stress or an electric spark. The compositions are known as metastable interstitial composites (MICs). This class of compositions includes materials which have not previously been capable of use as energetic materials. The speed and products of the reactions can be varied to suit the application. 3 figures.

  19. Realistic Parameters for the Description of Organic Metals

    NASA Astrophysics Data System (ADS)

    Dolfen, Andreas; Koch, Erik; Blum, Volker; Cano-Cortés, Laura; Merino, Jaime

    2009-03-01

    In molecular crystals correlation effects are often significant. For a non-perturbative description of the full Coulomb interaction we have therefore to resort to a model description in terms of generalized Hubbard models. The derivation of parameters for such models is crucial for realistic simulations. While hopping parameters are easily derived from density-functional theory (DFT) the Coulomb parameters pose a significant problem due to screening processes. We decompose their contributions into intra- and inter-molecular parts. The intra-molecularly screened Coulomb parameters are treated within DFT whereas the inter-molecular corrections are evaluated using classical electrostatics with DFT-derived polarizabilities and the distributed-dipole approach in combination with a Ewald summation. Even for simple lattices of polarizable point dipoles we find intriguing screening phenomena. As realistic applications we discuss the one- and two-dimensional organic metals TTF-TCNQ and θ-(BEDT-TTF)2I3.

  20. Energetic, spatial, and momentum character of the electronic structure at a buried interface: The two-dimensional electron gas between two metal oxides

    NASA Astrophysics Data System (ADS)

    Nemšák, S.; Conti, G.; Gray, A. X.; Palsson, G. K.; Conlon, C.; Eiteneer, D.; Keqi, A.; Rattanachata, A.; Saw, A. Y.; Bostwick, A.; Moreschini, L.; Rotenberg, E.; Strocov, V. N.; Kobayashi, M.; Schmitt, T.; Stolte, W.; Ueda, S.; Kobayashi, K.; Gloskovskii, A.; Drube, W.; Jackson, C. A.; Moetakef, P.; Janotti, A.; Bjaalie, L.; Himmetoglu, B.; Van de Walle, C. G.; Borek, S.; Minar, J.; Braun, J.; Ebert, H.; Plucinski, L.; Kortright, J. B.; Schneider, C. M.; Balents, L.; de Groot, F. M. F.; Stemmer, S.; Fadley, C. S.

    2016-06-01

    The interfaces between two condensed phases often exhibit emergent physical properties that can lead to new physics and novel device applications and are the subject of intense study in many disciplines. We here apply experimental and theoretical techniques to the characterization of one such interesting interface system: the two-dimensional electron gas (2DEG) formed in multilayers consisting of SrTi O3 (STO) and GdTi O3 (GTO). This system has been the subject of multiple studies recently and shown to exhibit very high carrier charge densities and ferromagnetic effects, among other intriguing properties. We have studied a 2DEG-forming multilayer of the form [6unit cells (u .c .) STO /3 u .c .of GTO ] 20 using a unique array of photoemission techniques including soft and hard x-ray excitation, soft x-ray angle-resolved photoemission, core-level spectroscopy, resonant excitation, and standing-wave effects, as well as theoretical calculations of the electronic structure at several levels and of the actual photoemission process. Standing-wave measurements below and above a strong resonance have been exploited as a powerful method for studying the 2DEG depth distribution. We have thus characterized the spatial and momentum properties of this 2DEG in detail, determining via depth-distribution measurements that it is spread throughout the 6 u.c. layer of STO and measuring the momentum dispersion of its states. The experimental results are supported in several ways by theory, leading to a much more complete picture of the nature of this 2DEG and suggesting that oxygen vacancies are not the origin of it. Similar multitechnique photoemission studies of such states at buried interfaces, combined with comparable theory, will be a very fruitful future approach for exploring and modifying the fascinating world of buried-interface physics and chemistry.

  1. Energetic powder

    DOEpatents

    Jorgensen, Betty S.; Danen, Wayne C.

    2003-12-23

    Fluoroalkylsilane-coated metal particles. The particles have a central metal core, a buffer layer surrounding the core, and a fluoroalkylsilane layer attached to the buffer layer. The particles may be prepared by combining a chemically reactive fluoroalkylsilane compound with an oxide coated metal particle having a hydroxylated surface. The resulting fluoroalkylsilane layer that coats the particles provides them with excellent resistance to aging. The particles can be blended with oxidant particles to form energetic powder that releases chemical energy when the buffer layer is physically disrupted so that the reductant metal core can react with the oxidant.

  2. Predicted roles of defects on band offsets and energetics at CIGS (Cu(In,Ga)Se₂/CdS) solar cell interfaces and implications for improving performance.

    PubMed

    Xiao, Hai; Goddard, William A

    2014-09-01

    The laboratory performance of CIGS (Cu(In,Ga)Se2) based solar cells (20.8% efficiency) makes them promising candidate photovoltaic devices. However, there remains little understanding of how defects at the CIGS/CdS interface affect the band offsets and interfacial energies, and hence the performance of manufactured devices. To determine these relationships, we use density functional theory with the B3PW91 hybrid functional that we validate to provide very accurate descriptions of the band gaps and band offsets. This confirms the weak dependence of band offsets on surface orientation observed experimentally. We predict that the conduction band offset (CBO) of perfect CuInSe2/CdS interface is large, 0.79 eV, which would dramatically degrade performance. Moreover we show that band gap widening induced by Ga adjusts only the valence band offset, and we find that Cd impurities do not significantly affect the CBO. Thus we show that Cu vacancies at the interface play the key role in enabling the tunability of CBO. We predict that Na further improves the CBO through electrostatically elevating the valence levels to decrease the CBO, explaining the observed essential role of Na for high performance. Moreover we find that K leads to a dramatic decrease in the CBO to 0.05 eV, much better than Na. We suggest that the efficiency of CIGS devices might be improved substantially by tuning the ratio of Na to K, with the improved phase stability of Na balancing phase instability from K. All these defects reduce interfacial stability slightly, but not significantly. PMID:25194380

  3. Interface energetics and atomic structure of epitaxial La{sub 1−x}Sr{sub x}CoO{sub 3} on Nb:SrTiO{sub 3}

    SciTech Connect

    Van Overmeere, Quentin E-mail: john.d.baniecki@jp.fujitsu.com; Baniecki, John D. E-mail: john.d.baniecki@jp.fujitsu.com; Yamazaki, Takashi; Aso, Hiroyuki; Kataoka, Yuji; Imanaka, Yoshihiko; Ricinschi, Dan; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi

    2015-06-15

    The energetics at oxide semiconductor/La{sub 1−x}Sr{sub x}CoO{sub 3} heterojunctions, including the respective alignment of the valence and conduction bands, govern charge transfer and have to be determined for the design of future La{sub 1−x}Sr{sub x}CoO{sub 3}-based devices. In this letter, the electronic and atomic structures of epitaxial La{sub 1−x}Sr{sub x}CoO{sub 3} on Nb-doped strontium titanate are revealed by scanning transmission electron microscopy, electron energy loss spectroscopy, and in situ x-ray and ultra violet photoelectron spectroscopies. For LaCoO{sub 3}, a valence band (VB) offset of 2.8 ± 0.1 eV is deduced. The large offset is attributed to the orbital contributions of the Co 3d states to the VB maximum of the LaCoO{sub 3} thin films, with no evidence of interface dipole contributions. The sensitivity of the valence band orbital character to spin state ordering and oxygen vacancies is assessed using density functional theory.

  4. ENERGETICS, EPIGENETICS, MITOCHONDRIAL GENETICS

    PubMed Central

    Wallace, Douglas C.; Fan, Weiwei

    2011-01-01

    The epigenome has been hypothesized to provide the interface between the environment and the nuclear DNA (nDNA) genes. Key factors in the environment are the availability of calories and demands on the organism’s energetic capacity. Energy is funneled through glycolysis and mitochondrial oxidative phosphorylation (OXPHOS), the cellular bioenergetic systems. Since there are thousands of bioenergetic genes dispersed across the chromosomes and mitochondrial DNA (mtDNA), both cis and trans regulation of the nDNA genes is required. The bioenergetic systems convert environmental calories into ATP, acetyl-Coenzyme A (acetyl-CoA), S-adenosyl-methionine (SAM), and reduced NAD+. When calories are abundant, ATP and acetyl-CoA phosphorylate and acetylate chromatin, opening the nDNA for transcription and replication. When calories are limiting, chromatin phosphorylation and acetylation are lost and gene expression is suppressed. DNA methylaton via SAM can also be modulated by mitochondrial function. Phosphorylation and acetylation are also pivotal to regulating cellular signal transduction pathways. Therefore, bioenergetics provides the interface between the environment and the epigenome. Consistent with this conclusion, the clinical phenotypes of bioenergetic diseases are strikingly similar to those observed in epigenetic diseases (Angelman, Rett, Fragile X Syndromes, the laminopathies, cancer, etc.), and an increasing number of epigenetic diseases are being associated with mitochondrial dysfunction. This bioenergetic-epigenomic hypothesis has broad implications for the etiology, pathophysiology, and treatment of a wide range of common diseases. PMID:19796712

  5. Growth experiment of organic metal crystal in low gravity (M-21)

    NASA Technical Reports Server (NTRS)

    Anzai, Hiroyuki

    1993-01-01

    The purpose of this experiment is to grow large, high-quality single crystals of the organic metal (TMTTF-TCNQ) by the diffusion method without thermal fluctuation due to convection and gravitational sedimentation, and to evaluate the difference in properties between such crystals grown in low gravity and the ones obtained on Earth. The expected results may fix several physical properties of TMTTF-TCNQ, lead to the discovery of new phenomena, and enable us to analyze diffusion processes in a precise way. The result will contribute to the development of research on organic metals and, generally, on crystal growth.

  6. Virtual Energetic Particle Observatory (VEPO)

    NASA Technical Reports Server (NTRS)

    Cooper, John F.; Lal, Nand; McGuire, Robert E.; Szabo, Adam; Narock, Thomas W.; Armstrong, Thomas P.; Manweiler, Jerry W.; Patterson, J. Douglas; Hill, Matthew E.; Vandergriff, Jon D.; McKibben, Robert B.; Lopate, Clifford; Tranquille, Cecil

    2008-01-01

    hazards informed by VEPO data resources. The VEPO project has completed the first year of work to define science requirements, to document and register selected data products in SPASE format while evolving SPASE for increased applicability to VEPO data, and to support enhanced discovery and access for these products through the evolving data query and middleware system of the Virtual Heliospheric Observatory (VHO). The VEPO team operates as a heliophysics focus group for energetic particle data resources in partnership with VHO and also leverages existing data services of NASA's Space Physics Data Facility. We invite comments from the U.S. and international data provider and user communities on review of the current VEPO/VHO user interface, on directions for future evolution of VEPO and supporting data systems including VHO and SPDF, and on relations to other elements of the heliophysics virtual observatory environment.

  7. Virtual Energetic Particle Observatory (VEPO)

    NASA Astrophysics Data System (ADS)

    Cooper, J. F.; Lal, N.; McGuire, R. E.; Szabo, A.; Narock, T. W.; Armstrong, T. P.; Manweiler, J. W.; Patterson, J. D.; Hill, M. E.; Vandergriff, J. D.; McKibben, R. B.; Lopate, C.; Tranquille, C.

    2008-12-01

    hazards informed by VEPO data resources. The VEPO project has completed the first year of work to define science requirements, to document and register selected data products in SPASE format while evolving SPASE for increased applicability to VEPO data, and to support enhanced discovery and access for these products through the evolving data query and middleware system of the Virtual Heliospheric Observatory (VHO). The VEPO team operates as a heliophysics focus group for energetic particle data resources in partnership with VHO and also leverages existing data services of NASA's Space Physics Data Facility. We invite comments from the U.S. and international data provider and user communities on review of the current VEPO/VHO user interface, on directions for future evolution of VEPO and supporting data systems including VHO and SPDF, and on relations to other elements of the heliophysics virtual observatory environment.

  8. Formation of charge-transfer-complex in organic:metal oxides systems

    NASA Astrophysics Data System (ADS)

    Wu, S. P.; Kang, Y.; Liu, T. L.; Jin, Z. H.; Jiang, N.; Lu, Z. H.

    2013-04-01

    It is found that composite systems consisting of 4,4'-bis(carbazol-9-yl)biphenyl (CBP) and molybdenum trioxide (MoO3) form an IR absorption band around 847 nm. It is also found that the vibrational modes of the CBP, as measured by Fourier Transform Infrared Spectroscopy, are quenched upon the formation of charge-transfer-complex (CTC) between CBP and MoO3. By examining several sets of organic:metal oxides systems, we discovered that the IR absorption band of the CTCs follow two distinct mechanisms depending on the nature and location of the HOMOs in the organic molecules.

  9. Cookoff of energetic materials

    SciTech Connect

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

    1998-09-01

    An overview of cookoff modeling at Sandia National Laboratories is presented aimed at assessing the violence of reaction following cookoff of confined energetic materials. During cookoff, the response of energetic materials is known to involve coupled thermal/chemical/mechanical processes which induce thermal damage to the energetic material prior to the onset of ignition. These damaged states enhance shock sensitivity and lead to conditions favoring self-supported accelerated combustion. Thus, the level of violence depends on the competition between pressure buildup and stress release due to the loss of confinement. To model these complex processes, finite element-based analysis capabilities are being developed which can resolve coupled heat transfer with chemistry, quasi-static structural mechanics and dynamic response. Numerical simulations that assess the level of violence demonstrate the importance of determining material damage in pre- and post-ignition cookoff events.

  10. INTENSE ENERGETIC GAS DISCHARGE

    DOEpatents

    Luce, J.S.

    1960-03-01

    A method and apparatus for initiating and sustaining an energetic gas arc discharge are described. A hollow cathode and a hollow anode are provided. By regulating the rate of gas flow into the interior of the cathode, the arc discharge is caused to run from the inner surface of the cathode with the result that adequate space-charge neutralization is provided inside the cathode but not in the main arc volume. Thus, the gas fed to the cathode is substantially completely ionized before it leaves the cathode, with the result that an energetic arc discharge can be maintained at lower operating pressures.

  11. Soft X-ray Spectroscopy of C60/Copper Phthalocyanine/MoO3 Interfaces: Role of Reduced MoO3 on Energetic Band Alignment and Improved Performance

    SciTech Connect

    S Cho; L Piper; A DeMasi; A Preston; K Smith; K Chauhan; R Hatton; T Jones

    2011-12-31

    The interfacial electronic structure of C{sub 60}/copper phthalocyanine (CuPc)/molybdenum trioxide (MoO{sub 3}) thin films grown in situ on indium tin oxide (ITO) substrates has been studied using synchrotron radiation-excited photoelectron spectroscopy in an attempt to understand the influence of oxide interlayers on the performance of small molecule organic photovoltaic devices. The MoO{sub 3} layer on ITO is found to significantly increase the work function of the substrate and induces large interface dipoles and band bending at the CuPc/MoO{sub 3} interface. The large band bending confirms the formation of an internal potential that assists hole extraction from the CuPc layer to the electrode. The electronic structure of the MoO{sub 3} layer on ITO was also examined using various soft X-ray spectroscopies to probe the conductive nature of the MoO{sub 3} thin film.

  12. Integrated Photoelectrolysis of Water Implemented On Organic Metal Halide Perovskite Photoelectrode.

    PubMed

    Hoang, Minh Tam; Pham, Ngoc Duy; Han, Ji Hun; Gardner, James M; Oh, Ilwhan

    2016-05-18

    Herein we report on integrated photoelectrolysis of water employing organic metal halide (OMH) perovskite material. Generic OMH perovskite material and device architecture are highly susceptible to degradation by moisture and water. We found that decomposition of perovskite devices proceeds by water ingress through pinholes in upper layers and is strongly affected by applied bias/light and electrolyte pH. It was also found that a pinhole-free hole transport layer (HTL) could significantly enhance the stability of the perovskite photoelectrode, thereby extending the photoelectrode lifetime to several tens of minutes, which is an unprecedented record-long operation. Furthermore, a carbon nanotube (CNT)/polymer composite layer was developed that can effectively protect the underlying perovskite layer from electrolyte molecules. PMID:27120406

  13. Energetic component treatability study

    SciTech Connect

    Gildea, P.D.; Brandon, S.L.; Brown, B.G.

    1997-11-01

    The effectiveness of three environmentally sound processes for small energetic component disposal was examined experimentally in this study. The three destruction methods, batch reactor supercritical water oxidation, sodium hydroxide base hydrolysis and calcium carbonate cookoff were selected based on their potential for producing a clean solid residue and minimum release of toxic gases after component detonation. The explosive hazard was destroyed by all three processes. Batch supercritical water oxidation destroyed both the energetics and organics. Further development is desired to optimize process parameters. Sodium hydroxide base hydrolysis and calcium carbonate cookoff results indicated the potential for scrubbing gaseous detonation products. Further study and testing are needed to quantify the effectiveness of these later two processes for full-scale munition destruction. The preliminary experiments completed in this study have demonstrated the promise of these three processes as environmentally sound technologies for energetic component destruction. Continuation of these experimental programs is strongly recommended to optimize batch supercritical water oxidation processing, and to fully develop the sodium hydroxide base hydrolysis and calcium carbonate cookoff technologies.

  14. Radiation Hydrodynamics Modeling of Hohlraum Energetics

    NASA Astrophysics Data System (ADS)

    Patel, Mehul V.; Mauche, Christopher W.; Jones, Ogden S.; Scott, Howard A.

    2015-11-01

    Attempts to model the energetics in NIF Hohlraums have been made with varying degrees of success, with discrepancies of 0-25% being reported for the X-ray flux (10-25% for the NIC ignition platform hohlraums). To better understand the cause(s) of these discrepancies, the effects of uncertainties in modeling thermal conduction, laser-plasma interactions, atomic mixing at interfaces, and NLTE kinetics of the high-Z wall plasma must be quantified. In this work we begin by focusing on the NLTE kinetics component. We detail a simulation framework for developing an integrated HYDRA hohlraum model with predefined tolerances for energetics errors due to numerical discretization errors or statistical fluctuations. Within this framework we obtain a model for a converged 1D spherical hohlraum which is then extended to 2D. The new model is used to reexamine physics sensitivities and improve estimates of the energetics discrepancy. Prepared by LLNL under Contract DE-AC52-07NA27344.

  15. Nonadiabatic reaction of energetic molecules.

    PubMed

    Bhattacharya, Atanu; Guo, Yuanqing; Bernstein, Elliot R

    2010-12-21

    Energetic materials store a large amount of chemical energy that can be readily converted into mechanical energy via decomposition. A number of different ignition processes such as sparks, shocks, heat, or arcs can initiate the excited electronic state decomposition of energetic materials. Experiments have demonstrated the essential role of excited electronic state decomposition in the energy conversion process. A full understanding of the mechanisms for the decomposition of energetic materials from excited electronic states will require the investigation and analysis of the specific topography of the excited electronic potential energy surfaces (PESs) of these molecules. The crossing of multidimensional electronic PESs creates a funnel-like topography, known as conical intersections (CIs). CIs are well established as a controlling factor in the excited electronic state decomposition of polyatomic molecules. This Account summarizes our current understanding of the nonadiabatic unimolecular chemistry of energetic materials through CIs and presents the essential role of CIs in the determination of decomposition pathways of these energetic systems. Because of the involvement of more than one PES, a decomposition process involving CIs is an electronically nonadiabatic mechanism. Based on our experimental observations and theoretical calculations, we find that a nonadiabatic reaction through CIs dominates the initial decomposition process of energetic materials from excited electronic states. Although the nonadiabatic behavior of some polyatomic molecules has been well studied, the role of nonadiabatic reactions in the excited electronic state decomposition of energetic molecules has not been well investigated. We use both nanosecond energy-resolved and femtosecond time-resolved spectroscopic techniques to determine the decomposition mechanism and dynamics of energetic species experimentally. Subsequently, we employ multiconfigurational methodologies (such as, CASSCF

  16. Energetic ion bombarded Fe/Al multilayers

    SciTech Connect

    Al-Busaidy, M.S.; Crapper, M.D.

    2006-05-15

    The utility of ion-assisted deposition is investigated to explore the possibility of counteracting the deficiency of back-reflected current of Ar neutrals in the case of lighter elements such as Al. A range of energetically ion bombarded Fe/Al multilayers sputtered with applied surface bias of 0, -200, or -400 V were deposited onto Si(111) substrates in an argon atmosphere of 4 mTorr using a computer controlled dc magnetron sputtering system. Grazing incidence reflectivity and rocking curve scans by synchrotron x rays of wavelength of 1.38 A were used to investigate the structures of the interfaces produced. Substantial evidence has been gathered to suggest the gradual suppression of interfacial mixing and reduction in interfacial roughness with increases of applied bias. The densification of the Al microstructure was noticeable and may be a consequence of resputtering attributable to the induced ion bombardment. The average interfacial roughnesses were calculated for the 0, -200, and -400 V samples to be 7{+-}0.5, 6{+-}0.5, and 5{+-}0.5 A respectfully demonstrating a 30% improvement in interface quality. Data from rocking curve scans point to improved long-range correlated roughness in energetically deposited samples. The computational code based on the recursive algorithm developed by Parratt [Phys. Rev. 95, 359 (1954)] was successful in the simulation of the specular reflectivity curves.

  17. Overview on energetic polymers

    SciTech Connect

    Boileau, J.

    1996-07-01

    Energetic materials for missiles, gun munitions or pyrotechnic devices often are mixtures in a biphasic form, with a filler and a binder. To satisfy the user needs, an analysis of functional requirements together with constraints (safety, vulnerability, aging, environment, disposal, price) is useful to choose a convenient binder. From this point of view numerous synthetic energetic polymers proposed or developed as binders are reviewed with regard to their syntheses, processing, properties and possible uses. These polymers contain explosophore groups: C-NO{sub 2} aliphatic or aromatic, ONO{sub 2}, NNO{sub 2}, NF{sub 2} and N{sub 3}. Some research projects are suggested. Among them in the list of published polymers, following a NIMIC (NATO) suggestion, note the reason of a development interruption. Some dinitropolystyrene-polyvinyl nitrate mixtures or copolymers could exhibit interesting properties. For unknown reasons, some mixtures of crystalline filler with polymer binder, generally in a biphasic form, may also be monophasic for a same composition. What properties are modified between both forms (e.g. combustion mechanisms, erosion, ideal character of the detonation)? It is also interesting to pursue a newly open route to thermo-plastic elastomers. 50 refs., 1 tab.

  18. Energetic cost of communication

    PubMed Central

    Stoddard, Philip K.; Salazar, Vielka L.

    2011-01-01

    Communication signals may be energetically expensive or inexpensive to produce, depending on the function of the signal and the competitive nature of the communication system. Males of sexually selected species may produce high-energy advertisement signals, both to enhance detectability and to signal their size and body condition. Accordingly, the proportion of the energy budget allocated to signal production ranges from almost nothing for many signals to somewhere in excess of 50% for acoustic signals in short-lived sexually selected species. Recent data from gymnotiform electric fish reveal mechanisms that regulate energy allocated to sexual advertisement signals through dynamical remodeling of the excitable membranes in the electric organ. Further, males of the short-lived sexually selected species, Brachyhypopomus gauderio, trade off among different metabolic compartments, allocating energy to signal production while reducing energy used in other metabolic functions. Female B. gauderio, by contrast, do not trade off energy between signaling and other functions. To fuel energetically expensive signal production, we expect a continuum of strategies to be adopted by animals of different life history strategies. Future studies should explore the relation between life history and energy allocation trade-offs. PMID:21177941

  19. Energetics of Nanomaterials

    SciTech Connect

    Alexandra Navrotsky; Brian Woodfield; Juliana Boerio-Goates; Frances Hellman

    2005-01-28

    This project, "Energetics of Nanomaterials," represents a three-year collaboration among Alexandra Navrotsky (UC Davis), Brian Woodfield and Juliana Boerio-Goates (BYU), and Frances Hellman (UC Berkeley). It's purpose has been to explore the differences between bulk materials, nanoparticles, and thin films in term of their thermodynamic properties, with an emphasis on heat capaacities and entropies, as well as enthalpies. the three groups have brought very different expertise and capabilities to the project. Navrotsky is a solid-state chemist and geochemist, with a unique Thermochemistry Facility emphasizing enthalpy of formation measurements by high temperature oxide melt and room temperatue acid solution calorimetry. Boerio-Goates and Woodfield are calorimetry. Hellman is a physicist with expertise in magnetism and heat capacity measurements using microscale "detector on a chip" calorimetric technology that she pioneered. The overarching question of our work is "How does the free energy play out in nanoparticles?", or "How do differences in free energy affect overall nanoparticle behavior?" Because the free energy represents the temperature-dependent balance between the enthalpy of a system and its entropy, there are two separate, but related, components to the experimental investigations: Solution calorimetric measurements provide the energetics and two types of heat capacity measurements the entropy. We use materials that are well characterized in other ways (structurally, magnetically, and chemically), and samples are shared across the collaboration.

  20. Low-frequency noise properties of metal-organic-metal ultraviolet sensors

    NASA Astrophysics Data System (ADS)

    Su, Peng-Yin; Chuang, Ricky-Wenkuei; Chen, Chin-Hsiang; Kao, Tsung-Hsien

    2015-04-01

    For this study, the metal-organic-metal (MOM) ultraviolet (UV) sensors with organic 4,4‧,4‧‧-tris[3-methylphenyl(phenyl)amino]triphenylamine (m-MTDATA) thin films of various thicknesses were fabricated successfully, and their low-frequency noise (LFN) characteristics were also analyzed. The findings revealed that the UV-to-visible rejection ratio of the fabricated 80-nm-thick m-MTDATA UV sensor was approximately 7.81 when biased at 5 V, with a cutoff at 220 nm. With an incident light wavelength of 220 nm and an applied bias of 5 V, the measured responsivity of the 80-nm-thick m-MTDATA UV sensor was found to be 2.84 × 10-4 A/W. Furthermore, a noise-equivalent power (NEP) of 9.8 × 10-11 W and a detectivity (D*) of 8.3 × 108 cm Hz0.5 W-1 can be achieved using the fabricated 80-nm-thick m-MTDATA UV sensor.

  1. Anisotropy of the energetic neutral atom flux in the heliosphere

    NASA Technical Reports Server (NTRS)

    Gruntman, Michael A.

    1992-01-01

    Characteristics of the energetic neutral atoms born at the heliospheric interface are considered for plasma flow structure resulting from a two-shock model of the interaction between the solar wind and the interstellar medium. The energy distributions of heliospheric energetic neutral atoms (HELENAs) are calculated and it is shown that the HELENA flux is highly anisotropic at the earth's orbit. The characteristics of the HELENA flux are highly sensitive to the size of the heliosphere. This supports the conclusion that measurements of HELENAs from the earth's orbit would provide an efficient tool to remotely study the heliosphere.

  2. Charge Transfer Dynamics between Carbon Nanotubes and Hybrid Organic Metal Halide Perovskite Films.

    PubMed

    Schulz, Philip; Dowgiallo, Anne-Marie; Yang, Mengjin; Zhu, Kai; Blackburn, Jeffrey L; Berry, Joseph J

    2016-02-01

    In spite of the rapid rise of metal organic halide perovskites for next-generation solar cells, little quantitative information on the electronic structure of interfaces of these materials is available. The present study characterizes the electronic structure of interfaces between semiconducting single walled carbon nanotube (SWCNT) contacts and a prototypical methylammonium lead iodide (MAPbI3) absorber layer. Using photoemission spectroscopy we provide quantitative values for the energy levels at the interface and observe the formation of an interfacial dipole between SWCNTs and perovskite. This process can be ascribed to electron donation from the MAPbI3 to the adjacent SWCNT making the nanotube film n-type at the interface and inducing band bending throughout the SWCNT layer. We then use transient absorbance spectroscopy to correlate this electronic alignment with rapid and efficient photoexcited charge transfer. The results indicate that SWCNT transport and contact layers facilitate rapid charge extraction and suggest avenues for enhancing device performance. PMID:26757105

  3. Energetics and systems

    SciTech Connect

    Mitsch, W.J.; Ragade, R.K.; Bosserman, R.W.; Dillon, J.A. Jr.

    1982-01-01

    To those wrestling with environmental problems and those involved with the holistic approaches of general-systems research, energy must be approached from a variety of viewpoints, some with immediate pragmatic connotations, some with long-term scientific and philosophical implications. During April 1981, there were held in Louisville, Kentucky under the auspices of the Systems Science Institute of the University of Louisville, meetings of the International Society for Ecological Modelling and the Society for General Systems Research, Southeast Region. On Earth Day, April 22, a joint symposium of the two societies was held under the title, Energetics and Systems. A number of the foremost researchers in this broad field were involved in that symposium, and the material of this volume is based on those presentations. The first chapter was devoted to introduction and overview; a separate abstract was prepared for each of the other 7 chapters.

  4. Utilization of FEP energetics

    NASA Technical Reports Server (NTRS)

    Frederking, T. H. K.; Abbassi, P.; Afifi, F.; Khandhar, P. K.; Ono, D. Y.; Chen, W. E. W.

    1987-01-01

    The research and development work on Fountain Effect Pump Systems (FEP systems) has been of interest in the competition between mechanical pumps for He II and FEP units. The latter do not have moving parts. In the course of the work, the energetics have been addressed using one part of a simple four-changes-of-state cycle. One option is the FEP ideal change of state at constant chemical potential (mu). The other option is the two-state sequence mu-P with a d mu=0 state change followed by an isobar. Questions of pump behavior, of flow rate response to temperature difference at the hot end, and related questions of thermodynamic cycle completion and heat transfer have been addressed. Porous media data obtained elucidate differences between vapor-liquid phase separation (VLPS) and Zero Net Mass Transfer (ZNMF).

  5. Energetics of Nanomaterials

    SciTech Connect

    Hellman, Frances

    2004-12-13

    This project, ''Energetics of Nanomaterials'', represents a three-year collaboration among Alexandra Navrotsky (University of California at Davis), Brian Woodfield and Juliana Boerio-Goates (Brigham Young University) and Frances Hellman (University of California at San Diego). Its purpose has been to explore the differences between bulk materials, nanoparticles, and thin films in terms of their thermodynamic properties, with an emphasis on heat capacities and entropies, as well as enthalpies. We used our combined experimental techniques to address the following questions: How does energy and entropy depend on particle size and crystal structure? Do entropic differences have their origins in changes in vibrational densities of states or configurational (including surface configuration) effects? Do material preparation and sample geometry, i.e., nanoparticles versus thin films, change these quantities? How do the thermodynamics of magnetic and structural transitions change in nanoparticles and thin films? Are different crystal structures stabilized for a given composition at the nanoscale, and are the responsible factors energetic, entropic, or both? How do adsorption energies (for water and other gases) depend on particle size and crystal structure in the nanoregime? What are the energetics of formation and strain energies in artificially layered thin films? Do the differing structures of grain boundaries in films and nanocomposites alter the energetics of nanoscale materials? Of the several directions we first proposed, we initially concentrated on a few systems: TiO(sub 2), CoO, and CoO-MgO. In these systems, we were able to clearly identify particle size-dependent effects on energy and vibrational entropy, and to separate out the effect of particle size and water content on the enthalpy of formation of the various TiO(sub 2) polymorphs. With CoO, we were able to directly compare nanoparticle films and bulk materials; this comparison is important because films can

  6. Electrical initiation of an energetic nanolaminate film

    DOEpatents

    Tringe, Joseph W.; Gash, Alexander E.; Barbee, Jr., Troy W.

    2010-03-30

    A heating apparatus comprising an energetic nanolaminate film that produces heat when initiated, a power source that provides an electric current, and a control that initiates the energetic nanolaminate film by directing the electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature. Also a method of heating comprising providing an energetic nanolaminate film that produces heat when initiated, and initiating the energetic nanolaminate film by directing an electric current to the energetic nanolaminate film and joule heating the energetic nanolaminate film to an initiation temperature.

  7. Synthesis of Advanced Energetic Materials

    NASA Astrophysics Data System (ADS)

    Wilson, Rebecca

    2015-06-01

    For a given energetic material, performance is a combination of the rate of energy release and total energy content. Organic and metal-based energetics, respectively, represent the limiting cases, exhibiting strength in one area and weakness in the other. Many organic energetic materials readily detonate, but increasing total energy content using only known energetic functional groups is difficult. In contrast, combustion of aluminum metal can release more than three times the energy available from the same mass of organic explosive, but the rate of energy release is slow relative to detonation, and combustion is often incomplete. Current research in our department seeks to improve both the total energy content of organic explosives and the rate of combustion of aluminum-based materials. Novel arrangements of atoms within energetic molecules, along with new assembly methods for materials, are employed to improve both aspects of performance. In the case of organic energetic materials, novel functional groups can yield compounds with higher density, and therefore greater power, relative to conventional, nitro group-based materials. For aluminum-based materials, progressively smaller particles undergo more rapid and complete combustion. To prevent surface oxidation, one approach is to shield a core of low-valent aluminum atoms with a shell of ligands, while another is to develop aluminum-based fuels that are inherently air-stable. These methods will be discussed in the context of novel energetic materials synthesis. Research Department, NSWC IHEODTD.

  8. Stab Sensitivity of Energetic Nanolaminates

    SciTech Connect

    Gash, A; Barbee, T; Cervantes, O

    2006-05-22

    This work details the stab ignition, small-scale safety, and energy release characteristics of bimetallic Al/Ni(V) and Al/Monel energetic nanolaminate freestanding thin films. The influence of the engineered nanostructural features of the energetic multilayers is correlated with both stab initiation and small-scale energetic materials testing results. Structural parameters of the energetic thin films found to be important include the bi-layer period, total thickness of the film, and presence or absence of aluminum coating layers. In general the most sensitive nanolaminates were those that were relatively thick, possessed fine bi-layer periods, and were not coated. Energetic nanolaminates were tested for their stab sensitivity as freestanding continuous parts and as coarse powders. The stab sensitivity of mock M55 detonators loaded with energetic nanolaminate was found to depend strongly upon both the particle size of the material and the configuration of nanolaminate material, in the detonator cup. In these instances stab ignition was observed with input energies as low as 5 mJ for a coarse powder with an average particle dimension of 400 {micro}m. Selected experiments indicate that the reacting nanolaminate can be used to ignite other energetic materials such as sol-gel nanostructured thermite, and conventional thermite that was either coated onto the multilayer substrate or pressed on it. These results demonstrate that energetic nanolaminates can be tuned to have precise and controlled ignition thresholds and can initiate other energetic materials and therefore are viable candidates as lead-free impact initiated igniters or detonators.

  9. Energetic spacetime: the new aether

    NASA Astrophysics Data System (ADS)

    Macken, John A.

    2015-09-01

    A model of the universe based on energetic spacetime (zero point energy) is expanded. The energy density of spacetime is calculated using only general relativity and acoustic equations. This energetic spacetime is shown to possess the properties required to be the new aether (Lorentz invariance, quantization of angular momentum, impedance, and quantum mechanical energy density.) The contradictory wave-particle duality properties of a photon are resolved by a model where a photon is a wave propagating in energetic spacetime but appearing to have particle properties because it possesses quantized angular momentum. Compton scattering and the photoelectric effect are examined and found to be compatible with the proposed wave-based photon model.

  10. "Energetics of Nanomaterials"

    SciTech Connect

    Professor Alexandra Navrotsky

    2005-01-31

    This project represents a three-year collaboration among Alexandra Navrotsky, Brian Woodfield, Juliana Bocrio-Goates and Frances Hellman. It's purpose has been to explore the differences between bulk materials, nanoparticles, and thin films in terms of their thermodynamic properties, with an emphasis on heat capacities and entropies, as well as enthalpies. The three groups have brought very different expertise and capabilities to the project. Navrotsky is a solid-state chemist and geochemist, with a unique Thermochemistry Facility emphasizing enthalpy of formation measurements by high temperature oxide melt and room temperature acid solution calorimetry. Bocrio-Goates and Woodfield are physical chemists with unique capabilities in accurate cryogenic heat capacity measurements using adiabatic calorimetry. Hellman is a physicist with expertise in magnetism and heat capacity measurements using microscale ''detector on a chip'' calorimetric technology that she pioneered. The overarching question of the work is ''How does the free energy play out in nanoparticles''? or ''How do differences in free energy affect overall nanoparticle behavior''? Because the free energy represents the temperature-dependent balance between the enthalpy of a system and its entropy, there are two separate, but related, components to the experimental investigations: Solution calorimetric measurements provide the energetics and two types of heat capacity measurements the entropy. They use materials that are well characterized in other ways (structurally, magnetically, and chemically), and samples are shared across the collaboration.

  11. Energetic particles at Uranus

    NASA Technical Reports Server (NTRS)

    Cheng, Andrew F.; Krimigis, S. M.; Lanzerotti, L. J.

    1991-01-01

    The energetic particle measurements by the low-energy charged-particle and cosmic-ray instruments on the Voyager 2 spacecraft in the magnetosphere of Uranus are reviewed. Upstream events were observed outside the Uranian bow shock, probably produced by ion escape from the magnetosphere. Evidence of earthlike substorm activity was discovered within the Uranian magnetosphere. A proton injection event was observed within the orbit of Umbriel and proton events were observed in the magnetotail plasma-sheet boundary layer that are diagnostic of earthlike substorms. The magnetospheric composition is totally dominated by protons, with only a trace abundance of H(2+) and no evidence for He or heavy ions; the Uranian atmophere is argued to be the principal plasma source. Phase-space densities of medium energy protons show inward radial diffusion and are quantitatively similar to those observed at the earth, Jupiter, and Saturn. These findings and plasma wave data suggest the existence of structures analogous to the earth's plasmasphere and plasmapause.

  12. Interface energetics in zinc phthalocyanine growth on Ag(100)

    NASA Astrophysics Data System (ADS)

    Al-Mahboob, Abdullah; Sadowski, Jerzy T.

    2016-02-01

    The nucleation and growth of zinc phthalocyanine (ZnPc) thin films on a Ag(100) surface are studied employing in situ, real-time low-energy electron microscopy and complementary density functional theory (DFT) calculation to elucidate the role of incorporation kinetics of planar molecules in phase selection during nucleation and apply this knowledge to the fabrication of highly crystalline ZnPc films. We show that the nucleation of crystalline ZnPc islands requires a large concentration of diffusing molecules. The required amount of nominal deposition to initiate the growth of monolayer (ML) high two-dimensional crystalline islands is dependent on both growth temperature and crystalline phase. At room temperature (RT) and slightly above (RT to ˜430 K), ZnPc crystalline islands have double-domain R 33.69 structures with average domain sizes in the submicrometer range. At higher temperatures, a 5 × 5 commensurate ZnPc structure nucleates. DFT calculations reveal significant differences in interfacial energies of an isolated ZnPc molecule on a substrate, depending on an adsorption site and azimuthal orientation of the molecule relative to the substrate atomic lattice. The observed delay in the onset of the nucleation of an island is caused by the existence of a large energy barrier for molecule incorporation into an island. At certain growth conditions it is possible to induce a structural transition from the 5 × 5 to the R 33.69 phase when the nominal coverage reaches 1 ML. The resulting film has excellent crystallinity with individual domains of hundreds of micrometers in size.

  13. Solar Eruptions and Energetic Particles

    NASA Astrophysics Data System (ADS)

    Gopalswamy, Natchimuthukonar; Mewaldt, Richard; Torsti, Jarmo

    Coronal mass ejections (CMEs) are the most energetic events in the heliosphere. During solar cycle 23, the close connection between CMEs and solar energetic particles (SEPs) was studied in much greater detail than was previously possible, including effects on space weather. This book reviews extensive observations of solar eruptions and SEPs from orbiting and ground-based systems. From SOHO and ACE to RHESSI and TRACE, we now have measurements of unprecedented sensitivity by which to test assumptions and refine models. Discussion and analysis of: • Coronal mass ejections and energetic particles over one solar cycle • Implications of solar eruptions for space weather and human space exploration • The elemental, isotopic, and ionic charge state composition of accelerated particles • Complex interconnections among CMEs, flares, shocks, and energetic particles will make this book an indispensable resource for scientists working on the Sun-Earth connection, including space physicists, magnetospheric physicists, atmospheric physicists, astrophysicists, and aeronomists.

  14. Voyager 2 Observes Energetic Electrons

    NASA Video Gallery

    This animation shows the Voyager 2 observations of energetic electrons. Voyager 2 detected a dramatic drop of the flux of electrons as it left the sector region. The intense flux came back as soon ...

  15. Photodecomposition of energetic nitro compounds

    SciTech Connect

    Mialocq, J.C.

    1989-03-14

    The photodecomposition of energetic nitrocompounds depends on the excitation energy, the light intensity which determines the mono-, bi- or multiphotonic character of the initial process and their gaseous, liquid or solid state. The initial processes of the photodecomposition of nitromethane and nitroalcanes are reviewed and their relevance to the initiation of energetic nitrocompounds detonation is discussed. The case of nitramines (dimethylnitramine and tutorial) is also briefly introduced.

  16. Solar Energetic Particle Variations

    NASA Technical Reports Server (NTRS)

    Reames, D. V.

    2003-01-01

    In the largest solar energetic-particle (SEP) events, acceleration occurs at shock waves driven out from the Sun by coronal mass ejections (CMEs). In fact, the highest proton intensities directly measured near Earth at energies up to approximately 1 GeV occur at the time of passage of shocks, which arrive about a day after the CMEs leave the Sun. CME-driven shocks expanding across magnetic fields can fill over half of the heliosphere with SEPs. Proton-generated Alfven waves trap particles near the shock for efficient acceleration but also throttle the intensities at Earth to the streaming limit early in the events. At high energies, particles begin to leak from the shock and the spectrum rolls downward to form an energy-spectral 'knee' that can vary in energy from approximately 1 MeV to approximately 1 GeV in different events. All of these factors affect the radiation dose as a function of depth and latitude in the Earth's atmosphere and the risk to astronauts and equipment in space. SEP ionization of the polar atmosphere produces nitrates that precipitate to become trapped in the polar ice. Observations of nitrate deposits in ice cores reveal individual large SEP events and extend back approximately 400 years. Unlike sunspots, SEP events follow the approximately 80-100-year Gleissberg cycle rather faithfully and are now at a minimum in that cycle. The largest SEP event in the last 400 years appears to be related to the flare observed by Carrington in 1859, but the probability of SEP events with such large fluences falls off sharply because of the streaming limit.

  17. Research on new energetic materials

    SciTech Connect

    Miller, R.S.

    1996-07-01

    Fluorine and oxygen rich energetic crystals and polymers will provide a new approach to increasing composite propellant and explosive energy density and energy release rates. This class of energetic materials will be used to demonstrate that advances in computational chemistry and solid state physics can be used to begin to understand detonation and combustion processes. It is anticipated that fluorinated as well as the oxygenated combustion and detonation products will accelerate the rates of metal particle consumption in composite propellants and explosives. Enhanced and tailorable energy release rates and critical diameters of metallized composite explosives will provide new technological opportunities for both military and civilian applications. Environmentally friendly energetic materials are of great current interest to reduce life cycle waste and pollution as well as life cycle cost. Thermoplastic elastomers, which have reversible crosslinking mechanisms, are one of the required keys to the gate and pathway to achieving substantial waste and pollution reduction goals. The goal in this paper is to review progress in two emerging topics in energetic materials science. These emerging two areas are fluorine and oxygen rich energetic crystals and polymers and environmentally friendly energetic material classes. 33 refs., 12 figs.

  18. Mitochondrial Energetics and Therapeutics

    PubMed Central

    Wallace, Douglas C.; Fan, Weiwei; Procaccio, Vincent

    2011-01-01

    Mitochondrial dysfunction has been linked to a wide range of degenerative and metabolic diseases, cancer, and aging. All these clinical manifestations arise from the central role of bioenergetics in cell biology. Although genetic therapies are maturing as the rules of bioenergetic genetics are clarified, metabolic therapies have been ineffectual. This failure results from our limited appreciation of the role of bioenergetics as the interface between the environment and the cell. A systems approach, which, ironically, was first successfully applied over 80 years ago with the introduction of the ketogenic diet, is required. Analysis of the many ways that a shift from carbohydrate glycolytic metabolism to fatty acid and ketone oxidative metabolism may modulate metabolism, signal transduction pathways, and the epigenome gives us an appreciation of the ketogenic diet and the potential for bioenergetic therapeutics. PMID:20078222

  19. Impact of segregation energetics on oxygen conductivity at ionic grain boundaries

    SciTech Connect

    Aidhy, Dilpuneet S; Zhang, Yanwen; Weber, William J

    2014-01-01

    In pursuit of whether nanocrystallinity could lead to higher anion conductivity, research has revealed contradicting results exposing the limited understanding of point defect energetics at grain boundaries (GBs)/interfaces. By disentangling and addressing key GB energetics issues, i.e., segregation, migration and binding energies of oxygen vacancies in the presence and absence of dopants at the GBs, and the segregation energetics of dopants, we elucidate, using atomic simulations of doped ceria, that dopant segregation is the key factor leading to degradation of oxygen conductivity in nanocrystalline materials. A framework for designing enhanced conducting nanocrystalline materials is proposed where the focus of doping strategies shifts from bulk to segregation at GBs.

  20. Structural modifications due to interface chemistry at metal-nitride interfaces

    PubMed Central

    Yadav, S. K.; Shao, S.; Wang, J.; Liu, X.-Y.

    2015-01-01

    Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces. PMID:26611639

  1. Structural modifications due to interface chemistry at metal-nitride interfaces

    SciTech Connect

    Yadav, S. K.; Shao, S.; Wang, J.; Liu, X. -Y.

    2015-11-27

    Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.

  2. Structural modifications due to interface chemistry at metal-nitride interfaces

    DOE PAGESBeta

    Yadav, S. K.; Shao, S.; Wang, J.; Liu, X. -Y.

    2015-11-27

    Based on accurate first principles density functional theory (DFT) calculations, an unusual phenomenon of interfacial structural modifications, due to the interface chemistry influence is identified at two metal-nitride interfaces with strong metal-nitrogen affinity, Al/TiN {111} and Al/VN {111} interfaces. It is shown that at such interfaces, a faulted stacking structure is energetically preferred on the Al side of the interface. And both intrinsic and extrinsic stacking fault energies in the vicinity Al layers are negligibly small. However, such phenomenon does not occur in Pt/TiN and Pt/VN interfaces because of the weak Pt-N affinity. As a result, corresponding to structural energiesmore » of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.« less

  3. Solar flares and energetic particles.

    PubMed

    Vilmer, Nicole

    2012-07-13

    Solar flares are now observed at all wavelengths from γ-rays to decametre radio waves. They are commonly associated with efficient production of energetic particles at all energies. These particles play a major role in the active Sun because they contain a large amount of the energy released during flares. Energetic electrons and ions interact with the solar atmosphere and produce high-energy X-rays and γ-rays. Energetic particles can also escape to the corona and interplanetary medium, produce radio emissions (electrons) and may eventually reach the Earth's orbit. I shall review here the available information on energetic particles provided by X-ray/γ-ray observations, with particular emphasis on the results obtained recently by the mission Reuven Ramaty High-Energy Solar Spectroscopic Imager. I shall also illustrate how radio observations contribute to our understanding of the electron acceleration sites and to our knowledge on the origin and propagation of energetic particles in the interplanetary medium. I shall finally briefly review some recent progress in the theories of particle acceleration in solar flares and comment on the still challenging issue of connecting particle acceleration processes to the topology of the complex magnetic structures present in the corona. PMID:22665901

  4. Nanoparticle Assemblies at Fluid Interfaces

    SciTech Connect

    Russell, Thomas P.

    2015-03-10

    A systematic study of the structure and dynamics of nanoparticles (NP) and NP-surfactants was performed. The ligands attached to both the NPs and NP-surfactants dictate the manner in which the nanoscopic materials assemble at fluid interfaces. Studies have shown that a single layer of the nanoscpic materials form at the interface to reduce the interactions between the two immiscible fluids. The shape of the NP is, also, important, where for spherical particles, a disordered, liquid-like monolayer forms, and, for nanorods, ordered domains at the interface is found and, if the monolayers are compressed, the orientation of the nanorods with respect to the interface can change. By associating end-functionalized polymers to the NPs assembled at the interface, NP-surfactants are formed that increase the energetic gain in segregating each NP at the interface which allows the NP-surfactants to jam at the interface when compressed. This has opened the possibility of structuring the two liquids by freezing in shape changes of the liquids.

  5. Zeolite synthesis: an energetic perspective.

    PubMed

    Zwijnenburg, Martijn A; Bromley, Stefan T

    2010-11-21

    Taking |D(H(2)O)(x)|[AlSiO(4)] based materials (where D is Li, Na, K, Rb or Cs) as an archetypal aluminosilicate system, we use accurate density functional theory calculations to demonstrate how the substitution of silicon cations in silica, with pairs of aluminium and (alkali metal) cations, changes the energetic ordering of different competing structure-types. For large alkali metal cations we further show that the formation of porous aluminosilicate structures, the so-called zeolites, is energetically favored. These findings unequivocally demonstrate that zeolites can be energetic preferred reaction products, rather than being kinetically determined, and that the size of the (hydrated) cations in the pore, be it inorganic or organic, is critical for directing zeolite synthesis. PMID:20938518

  6. Millisecond burning of confined energetic materials during cookoff

    SciTech Connect

    Schmitt, R.G.; Baer, T.A.

    1997-11-01

    The response of a system containing an energetic material (EM) to an abnormal thermal environment is termed cookoff. To predict the violence of reaction of confined energetic materials during cookoff requires a description of the relevant physical processes that occur on time scales Ranging from days to submicroseconds. The time-to-ignition can be characterized accurately using heat transfer with chemistry and quasistatic mechanics. After ignition the energetic material deflagrates on a millisecond time scale. During this time the mechanical processes become dynamic. If the confinement survives burning then accelerated deflagration can lead to shock formation and deflagration to detonation transition. The focus of this work is the dynamic combustion regime in the millisecond time domain. Due to the mathematical stiffness of the chemistry equations and the prohibitively fine spatial resolution requirements needed to resolve the structure of the flame, an interface tracking approach is used to propagate the burn front. Demonstrative calculations are presented that illustrate the dynamic interaction of the deflagrating energetic material with its confinement.

  7. Interface Effects in Perovskite Thin Films

    NASA Astrophysics Data System (ADS)

    Lepetit, Marie-Bernadette; Mercey, Bernard; Simon, Charles

    2012-02-01

    The control of matter properties (transport, magnetic, dielectric,…) using synthesis as thin films is strongly hindered by the lack of reliable theories, able to guide the design of new systems, through the understanding of the interface effects and of the way the substrate constraints are imposed on the material. The present Letter analyzes the energetic contributions at the interfaces, and proposes a model describing the microscopic mechanisms governing the interactions at an epitaxial interface between a manganite and another transition metal oxide in perovskite structure (as for instance SrTiO3). The model is checked against experimental results and literature analysis.

  8. Jet propagation through energetic materials

    SciTech Connect

    Pincosy, P; Poulsen, P

    2004-01-08

    In applications where jets propagate through energetic materials, they have been observed to become sufficiently perturbed to reduce their ability to effectively penetrate subsequent material. Analytical calculations of the jet Bernoulli flow provides an estimate of the onset and extent of such perturbations. Although two-dimensional calculations show the back-flow interaction pressure pulses, the symmetry dictates that the flow remains axial. In three dimensions the same pressure impulses can be asymmetrical if the jet is asymmetrical. The 3D calculations thus show parts of the jet having a significant component of radial velocity. On the average the downstream effects of this radial flow can be estimated and calculated by a 2D code by applying a symmetrical radial component to the jet at the appropriate position as the jet propagates through the energetic material. We have calculated the 3D propagation of a radio graphed TOW2 jet with measured variations in straightness and diameter. The resultant three-dimensional perturbations on the jet result in radial flow, which eventually tears apart the coherent jet flow. This calculated jet is compared with jet radiographs after passage through the energetic material for various material thickness and plate thicknesses. We noted that confinement due to a bounding metal plate on the energetic material extends the pressure duration and extent of the perturbation.

  9. The Giotto Energetic Particle Experiment.

    NASA Astrophysics Data System (ADS)

    McKenna-Lawlor, S.; Thompson, A.; O'Sullivan, D.; Kirsch, E.; Melrose, D.; Wenzel, K.-P.

    The Energetic Particle Experiment (EPA) onboard Giotto will measure the energy distribution of electrons, protons and heavier nuclei with E ≥ 20 keV during the cruise phase and in the cometary environment during Halley encounter. The detector system and the main scientific objectives of EPA are described.

  10. Energetics of water interactions with amorphous and nanocrystalline carbonates

    NASA Astrophysics Data System (ADS)

    Radha, A.; Navrotsky, A.

    2013-12-01

    Understanding carbonate surface-water interaction is important as it determines the reactivity, growth and dissolution of mineral surface. The stability and residence time of adsorbed water could influence the mobility of ions on mineral surface or hinder the surface reaction by blocking the surface active sites. The nature of water-carbonate interface has been characterized by several computational studies but not much experimentally measured data are available on such interaction energetics. We report the direct experimental measurement of enthalpies of water adsorption on amorphous and nanocrystalline Ca/Mg/Mn carbonates using a water vapor adsorption calorimetry. The simultaneous measurement of adsorption enthalpy as a function of amount of accurate dosed water vapor gives the actual interaction of water with carbonate surface. The distinct modes of water adsorption on different active sites on the surface would generate adsorption enthalpy curve with distinct energetic trends.

  11. SIMULATION OF ENERGETIC NEUTRAL ATOMS FROM SOLAR ENERGETIC PARTICLES

    SciTech Connect

    Wang, Linghua; Li, Gang; Shih, Albert Y.; Lin, Robert P.; Wimmer-Schweingruber, Robert F.

    2014-10-01

    Energetic neutral atoms (ENAs) provide the only way to observe the acceleration site of coronal-mass-ejection-driven (CME-driven) shock-accelerated solar energetic particles (SEPs). In gradual SEP events, energetic protons can charge exchange with the ambient solar wind or interstellar neutrals to become ENAs. Assuming a CME-driven shock with a constant speed of 1800 km s{sup –1} and compression ratio of 3.5, propagating from 1.5 to 40 R{sub S} , we calculate the accelerated SEPs at 5-5000 keV and the resulting ENAs via various charge-exchange interactions. Taking into account the ENA losses in the interplanetary medium, we obtain the flux-time profiles of these solar ENAs reaching 1 AU. We find that the arriving ENAs at energies above ∼100 keV show a sharply peaked flux-time profile, mainly originating from the shock source below 5 R{sub S} , whereas the ENAs below ∼20 keV have a flat-top time profile, mostly originating from the source beyond 10 R{sub S} . Assuming the accelerated protons are effectively trapped downstream of the shock, we can reproduce the STEREO ENA fluence observations at ∼2-5 MeV/nucleon. We also estimate the flux of ENAs coming from the charge exchange of energetic storm protons, accelerated by the fast CME-driven shock near 1 AU, with interstellar hydrogen and helium. Our results suggest that appropriate instrumentation would be able to detect ENAs from SEPs and to even make ENA images of SEPs at energies above ∼10-20 keV.

  12. The location of energetic compartments affects energetic communication in cardiomyocytes

    PubMed Central

    Birkedal, Rikke; Laasmaa, Martin; Vendelin, Marko

    2014-01-01

    The heart relies on accurate regulation of mitochondrial energy supply to match energy demand. The main regulators are Ca2+ and feedback of ADP and Pi. Regulation via feedback has intrigued for decades. First, the heart exhibits a remarkable metabolic stability. Second, diffusion of ADP and other molecules is restricted specifically in heart and red muscle, where a fast feedback is needed the most. To explain the regulation by feedback, compartmentalization must be taken into account. Experiments and theoretical approaches suggest that cardiomyocyte energetic compartmentalization is elaborate with barriers obstructing diffusion in the cytosol and at the level of the mitochondrial outer membrane (MOM). A recent study suggests the barriers are organized in a lattice with dimensions in agreement with those of intracellular structures. Here, we discuss the possible location of these barriers. The more plausible scenario includes a barrier at the level of MOM. Much research has focused on how the permeability of MOM itself is regulated, and the importance of the creatine kinase system to facilitate energetic communication. We hypothesize that at least part of the diffusion restriction at the MOM level is not by MOM itself, but due to the close physical association between the sarcoplasmic reticulum (SR) and mitochondria. This will explain why animals with a disabled creatine kinase system exhibit rather mild phenotype modifications. Mitochondria are hubs of energetics, but also ROS production and signaling. The close association between SR and mitochondria may form a diffusion barrier to ADP added outside a permeabilized cardiomyocyte. But in vivo, it is the structural basis for the mitochondrial-SR coupling that is crucial for the regulation of mitochondrial Ca2+-transients to regulate energetics, and for avoiding Ca2+-overload and irreversible opening of the mitochondrial permeability transition pore. PMID:25324784

  13. Modeling interfaces between solids: Application to Li battery materials

    NASA Astrophysics Data System (ADS)

    Lepley, N. D.; Holzwarth, N. A. W.

    2015-12-01

    We present a general scheme to model an energy for analyzing interfaces between crystalline solids, quantitatively including the effects of varying configurations and lattice strain. This scheme is successfully applied to the modeling of likely interface geometries of several solid state battery materials including Li metal, Li3PO4 , Li3PS4 , Li2O , and Li2S . Our formalism, together with a partial density of states analysis, allows us to characterize the thickness, stability, and transport properties of these interfaces. We find that all of the interfaces in this study are stable with the exception of Li3PS4/Li . For this chemically unstable interface, the partial density of states helps to identify mechanisms associated with the interface reactions. Our energetic measure of interfaces and our analysis of the band alignment between interface materials indicate multiple factors, which may be predictors of interface stability, an important property of solid electrolyte systems.

  14. The energetic significance of cooking.

    PubMed

    Carmody, Rachel N; Wrangham, Richard W

    2009-10-01

    While cooking has long been argued to improve the diet, the nature of the improvement has not been well defined. As a result, the evolutionary significance of cooking has variously been proposed as being substantial or relatively trivial. In this paper, we evaluate the hypothesis that an important and consistent effect of cooking food is a rise in its net energy value. The pathways by which cooking influences net energy value differ for starch, protein, and lipid, and we therefore consider plant and animal foods separately. Evidence of compromised physiological performance among individuals on raw diets supports the hypothesis that cooked diets tend to provide energy. Mechanisms contributing to energy being gained from cooking include increased digestibility of starch and protein, reduced costs of digestion for cooked versus raw meat, and reduced energetic costs of detoxification and defence against pathogens. If cooking consistently improves the energetic value of foods through such mechanisms, its evolutionary impact depends partly on the relative energetic benefits of non-thermal processing methods used prior to cooking. We suggest that if non-thermal processing methods such as pounding were used by Lower Palaeolithic Homo, they likely provided an important increase in energy gain over unprocessed raw diets. However, cooking has critical effects not easily achievable by non-thermal processing, including the relatively complete gelatinisation of starch, efficient denaturing of proteins, and killing of food borne pathogens. This means that however sophisticated the non-thermal processing methods were, cooking would have conferred incremental energetic benefits. While much remains to be discovered, we conclude that the adoption of cooking would have led to an important rise in energy availability. For this reason, we predict that cooking had substantial evolutionary significance. PMID:19732938

  15. Process for preparing energetic materials

    DOEpatents

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Swansiger, Rosalind W.; Fox, Glenn A.

    2011-12-13

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  16. Energetic ion observations on Rhea

    NASA Astrophysics Data System (ADS)

    Kotova, A.; Roussos, E.; Krupp, N.; Dandouras, I.; Khurana, K. K.

    2012-09-01

    Cassini flew by Saturn's moon Rhea four times between 2005 and today. During two of these flybys MIMI/LEMMS energetic particle detector onboard Cassini detected significant reduction of energetic ion fluxes (20 keV - 300 keV) in vicinity of Rhea, which is probably caused by plasma absorption by the moon. The profile of the flux dropout shows differences in the different energy channels of LEMMS, primarily due to finite gyroradius effects. Other factors that contribute to the shape of the depletion profile are the properties of the background magnetospheric magnetic and electric fields, the structure of Rhea's interaction region, the ion composition and the response function of the different LEMMS channels. We will use a test-particle approach, taking into account all these factors, in order to simulate the observed depletion profiles. We will explore whether non-dipolar effects and field time variations are important in shaping the ion profile, and will also examine if LEMMS responds primarily to protons (as assumed until today) or to heavier ions. We will use several numerical techniques (e.g. fourth order Gauss Runge-Kutta and Boris particle tracking methods) and evaluate which method is the best (in terms of accuracy and computational resources) that will allow us to have good "particle statistics" and more reliable results. The same approach could be used to trace energetic charged particles and simulate observations at other Saturnian moons, such as Enceladus, Dione and Titan.

  17. Energetic ions in ITER plasmas

    SciTech Connect

    Pinches, S. D.; Chapman, I. T.; Sharapov, S. E.; Lauber, Ph. W.; Oliver, H. J. C.; Shinohara, K.; Tani, K.

    2015-02-15

    This paper discusses the behaviour and consequences of the expected populations of energetic ions in ITER plasmas. It begins with a careful analytic and numerical consideration of the stability of Alfvén Eigenmodes in the ITER 15 MA baseline scenario. The stability threshold is determined by balancing the energetic ion drive against the dominant damping mechanisms and it is found that only in the outer half of the plasma (r/a>0.5) can the fast ions overcome the thermal ion Landau damping. This is in spite of the reduced numbers of alpha-particles and beam ions in this region but means that any Alfvén Eigenmode-induced redistribution is not expected to influence the fusion burn process. The influence of energetic ions upon the main global MHD phenomena expected in ITER's primary operating scenarios, including sawteeth, neoclassical tearing modes and Resistive Wall Modes, is also reviewed. Fast ion losses due to the non-axisymmetric fields arising from the finite number of toroidal field coils, the inclusion of ferromagnetic inserts, the presence of test blanket modules containing ferromagnetic material, and the fields created by the Edge Localised Mode (ELM) control coils in ITER are discussed. The greatest losses and associated heat loads onto the plasma facing components arise due to the use of the ELM control coils and come from neutral beam ions that are ionised in the plasma edge.

  18. Hyperbolic interfaces.

    PubMed

    Giomi, Luca

    2012-09-28

    Fluid interfaces, such as soap films, liquid droplets, or lipid membranes, are known to give rise to several special geometries, whose complexity and beauty continue to fascinate us, as observers of the natural world, and challenge us as scientists. Here I show that a special class of surfaces of constant negative Gaussian curvature can be obtained in fluid interfaces equipped with an orientational ordered phase. These arise in various soft and biological materials, such as nematic liquid crystals, cytoskeletal assemblies, or hexatic colloidal suspensions. The purely hyperbolic morphology originates from the competition between surface tension, that reduces the area of the interface at the expense of increasing its Gaussian curvature, and the orientational elasticity of the ordered phase, that in turn suffers for the distortion induced by the underlying curvature. PMID:23030106

  19. Hyperbolic Interfaces

    NASA Astrophysics Data System (ADS)

    Giomi, Luca

    2012-09-01

    Fluid interfaces, such as soap films, liquid droplets, or lipid membranes, are known to give rise to several special geometries, whose complexity and beauty continue to fascinate us, as observers of the natural world, and challenge us as scientists. Here I show that a special class of surfaces of constant negative Gaussian curvature can be obtained in fluid interfaces equipped with an orientational ordered phase. These arise in various soft and biological materials, such as nematic liquid crystals, cytoskeletal assemblies, or hexatic colloidal suspensions. The purely hyperbolic morphology originates from the competition between surface tension, that reduces the area of the interface at the expense of increasing its Gaussian curvature, and the orientational elasticity of the ordered phase, that in turn suffers for the distortion induced by the underlying curvature.

  20. Modeling spherical explosions with aluminized energetic materials

    NASA Astrophysics Data System (ADS)

    Massoni, J.; Saurel, R.; Lefrançois, A.; Baudin, G.

    2006-11-01

    This paper deals with the numerical solution and validation of a reactive flow model dedicated to the study of spherical explosions with an aluminized energetic material. Situations related to air blast as well as underwater explosions are examined. Such situations involve multiscale phenomena associated with the detonation reaction zone, the aluminium reaction zone, the shock propagation distance and the bubble oscillation period. A detonation tracking method is developed in order to avoid the detonation structure computation. An ALE formulation is combined to the detonation tracking method in order to solve the material interface between detonation products and the environment as well as shock propagation. The model and the algorithm are then validated over a wide range of spherical explosions involving several types of explosives, both in air and liquid water environment. Large-scale experiments have been done in order to determine the blast wave effects with explosive compositions of variable aluminium content. In all situations the agreement between computed and experimental results is very good.

  1. Reactivity of young chars via energetic distribution measurements

    SciTech Connect

    Calo, J.M.; Lilly, W.D.

    1991-01-01

    The current project is directed at developing related techniques for the characterization and prediction/correlation of the reactivity of young'' chars to steam and oxygen. Of particular interest is mapping of the reactivity behavior of the resultant chars, as revealed by the energetic heterogeneity of the complexes with char preparation conditions; i.e., heating rate and ultimate temperature. In this first quarterly technical progress report we present the background of the project and the research program for the proposed investigations. The following work was accomplished on the experimental apparatus: a new set of electronics for the UTi quadrupole mass spectrometer head was purchased and delivered. The Temperature Programmed Desorption (TPD) System was moved to another laboratory and interfaced with the mass spectrometer system. A Polycold{trademark} freon refrigeration system was repaired and interfaced with the vacuum system for the TPD apparatus. It will be used to cool the diffusion pump trap. 60 refs.

  2. Thermal-spectrum recriticality energetics

    SciTech Connect

    Schwinkendorf, K.N.

    1993-12-01

    Large computer codes have been created in the past to predict the energy release in hypothetical core disruptive accidents (CDA), postulated to occur in liquid metal reactors (LMR). These codes, such as SIMMER, are highly specific to LMR designs. More recent attention has focused on thermal-spectrum criticality accidents, such as for fuel storage basins and waste tanks containing fissile material. This paper resents results from recent one-dimensional kinetics simulations, performed for a recriticality accident in a thermal spectrum. Reactivity insertion rates generally are smaller than in LMR CDAs, and the energetics generally are more benign. Parametric variation of input was performed, including reactivity insertion and initial temperature.

  3. Active interrogation using energetic protons

    SciTech Connect

    Morris, Christopher L; Chung, Kiwhan; Greene, Steven J; Hogan, Gary E; Makela, Mark; Mariam, Fesseha; Milner, Edward C; Murray, Matthew; Saunders, Alexander; Spaulding, Randy; Wang, Zhehui; Waters, Laurie; Wysocki, Frederick

    2010-01-01

    Energetic proton beams provide an attractive alternative when compared to electromagnetic and neutron beams for active interrogation of nuclear threats because they have large fission cross sections, long mean free paths and high penetration, and they can be manipulated with magnetic optics. We have measured time-dependent cross sections and neutron yields for delayed neutrons and gamma rays using 800 MeV and 4 GeV proton beams with a set of bare and shielded targets. The results show significant signals from both unshielded and shielded nuclear materials. Measurements of neutron energies yield suggest a signature unique to fissile material. Results are presented in this paper.

  4. Method for calculating alloy energetics

    NASA Technical Reports Server (NTRS)

    Bozzolo, Guillermo; Ferrante, John; Smith, John R.

    1992-01-01

    A semiempirical method for the computation of alloy energies is introduced. It is based on the equivalent-crystal theory of defect-formation energies in elemental solids. The method is both simple and accurate. Heats of formation as a function of composition are computed for some binary alloys of Cu, Ni, Al, Ag, Pd, Pt, and Au using the heats of solution in the dilute limit as experimental input. The separation of heats into strain and chemical components helps in understanding the energetics. In addition, lattice-parameter contractions seen in solid solutions of Ag and Au are accurately predicted. Good agreement with experiment is obtained in all cases.

  5. Soft Interfaces

    NASA Astrophysics Data System (ADS)

    Gilles de Gennes, Pierre; Edwards, Introduction By Sam

    1997-04-01

    Paul Adrien Maurice Dirac, one of the greatest physicists of the twentieth century, died in 1984. Dirac's college, St. John's of Cambridge, generously endowed annual lectures to be held at Cambridge University in his memory. This volume contains a much expanded version of the 1994 Dirac Lecture by Nobel Laureate Pierre Gilles de Gennes. The book presents an impressionistic tour of the physics of soft interfaces. Full of insight and interesting asides, it not only provides an accessible introduction to this topic, but also lays down many markers and signposts that will be of interest to researchers in physics or chemistry. Features discussions of wetting and dewetting, the dynamics of different types of interface and adhesion and polymer/polymer welding.

  6. Energetics of Amino Acid Synthesis in Alkaline Hydrothermal Environments

    NASA Astrophysics Data System (ADS)

    Kitadai, Norio

    2015-12-01

    Alkaline hydrothermal systems have received considerable attention as candidates for the origin and evolution of life on the primitive Earth. Nevertheless, sufficient information has not yet been obtained for the thermodynamic properties of amino acids, which are necessary components for life, at high temperatures and alkaline pH. These properties were estimated using experimental high-temperature volume and heat capacity data reported in the literature for several amino acids, together with correlation algorithms and the revised Helgeson-Kirkham-Flowers (HKF) equations of state. This approach enabled determination of a complete set of the standard molal thermodynamic data and the revised HKF parameters for the 20 protein amino acids in their zwitterionic and ionization states. The obtained dataset was then used to evaluate the energetics of amino acid syntheses from simple inorganic precursors (CO2, H2, NH3 and H2S) in a simulated alkaline hydrothermal system on the Hadean Earth. Results show that mixing between CO2-rich seawater and the H2-rich hydrothermal fluid can produce energetically favorable conditions for amino acid syntheses, particularly in the lower-temperature region of such systems. Together with data related to the pH and temperature dependences of the energetics of amino acid polymerizations presented in earlier reports, these results suggest the following. Hadean alkaline hydrothermal settings, where steep pH and temperature gradients may have existed between cool, slightly acidic Hadean ocean water and hot, alkaline hydrothermal fluids at the vent-ocean interface, may be energetically the most suitable environment for the synthesis and polymerization of amino acids.

  7. Energetics of Amino Acid Synthesis in Alkaline Hydrothermal Environments.

    PubMed

    Kitadai, Norio

    2015-12-01

    Alkaline hydrothermal systems have received considerable attention as candidates for the origin and evolution of life on the primitive Earth. Nevertheless, sufficient information has not yet been obtained for the thermodynamic properties of amino acids, which are necessary components for life, at high temperatures and alkaline pH. These properties were estimated using experimental high-temperature volume and heat capacity data reported in the literature for several amino acids, together with correlation algorithms and the revised Helgeson-Kirkham-Flowers (HKF) equations of state. This approach enabled determination of a complete set of the standard molal thermodynamic data and the revised HKF parameters for the 20 protein amino acids in their zwitterionic and ionization states. The obtained dataset was then used to evaluate the energetics of amino acid syntheses from simple inorganic precursors (CO2, H2, NH3 and H2S) in a simulated alkaline hydrothermal system on the Hadean Earth. Results show that mixing between CO2-rich seawater and the H2-rich hydrothermal fluid can produce energetically favorable conditions for amino acid syntheses, particularly in the lower-temperature region of such systems. Together with data related to the pH and temperature dependences of the energetics of amino acid polymerizations presented in earlier reports, these results suggest the following. Hadean alkaline hydrothermal settings, where steep pH and temperature gradients may have existed between cool, slightly acidic Hadean ocean water and hot, alkaline hydrothermal fluids at the vent-ocean interface, may be energetically the most suitable environment for the synthesis and polymerization of amino acids. PMID:25796392

  8. Solar Energetic Particle Spectrometer (SEPS)

    NASA Technical Reports Server (NTRS)

    Christl, Mark J.

    2009-01-01

    An outstanding problem of solar and heliospheric physics is the transport of solar energetic particles. The more energetic particles arriving early in the event can be used to probe the transport processes. The arrival direction distribution of these particles carries information about scattering during their propagation to Earth that can be used to test models of interplanetary transport. Also, of considerable importance to crewed space missions is the level of ionizing radiation in the interplanetary medium, and the dose that the crew experiences during an intense solar particle event, as well as the risk to space systems. A recent study concludes that 90% of the absorbed dose results from particles in the energy range 20-550 MeV. We will describe a new compact instrument concept, SEPS, that can cover the energy range from 50-600 MeV with a single compact detector. This energy range has been difficult to cover. There are only limited data, generally available only in broad energy bins, from a few past and present instruments outside Earth s magnetosphere. The SEPS concept can provide improved measurements for this energy range and its simple light-weight design could be easily accommodated on future missions.

  9. National Ignition Campaign Hohlraum energetics

    SciTech Connect

    Meezan, N. B.; Atherton, L. J.; Callahan, D. A.; Dewald, E. L.; Dixit, S.; Dzenitis, E. G.; Edwards, M. J.; Haynam, C. A.; Hinkel, D. E.; Jones, O. S.; Landen, O.; London, R. A.; Michel, P. A.; Moody, J. D.; Milovich, J. L.; Schneider, M. B.; Thomas, C. A.; Town, R. P. J.; Warrick, A. L.; Weber, S. V.

    2010-05-15

    The first series of experiments of the National Ignition Facility (NIF) [E. I. Moses et al., Phys. Plasmas 16, 041006 (2009)] tested ignition Hohlraum 'energetics', a term described by four broad goals: (1) measurement of laser absorption by the Hohlraum; (2) measurement of the x-ray radiation flux (T{sub RAD}{sup 4}) on the surrogate ignition capsule; (3) quantitative understanding of the laser absorption and resultant x-ray flux; and (4) determining whether initial Hohlraum performance is consistent with requirements for ignition. This paper summarizes the status of NIF Hohlraum energetics experiments. The Hohlraum targets and experimental design are described, as well as the results of the initial experiments. The data demonstrate low backscattered energy (<10%) for Hohlraums filled with helium gas. A discussion of our current understanding of NIF Hohlraum x-ray drive follows, including an overview of the computational tools, i.e., radiation-hydrodynamics codes that have been used to design the Hohlraums. The performance of the codes is compared to x-ray drive and capsule implosion data from the first NIF experiments. These results bode well for future NIF ignition Hohlraum experiments.

  10. The Giotto energetic particle experiment

    NASA Astrophysics Data System (ADS)

    McKenna-Lawlor, S.; Thompson, A.; Sullivan, D.; Kirsch, E.; Melrose, D.; Wenzel, K. P.

    1986-03-01

    The Energetic Particle Experiment (EPA) onboard Giotto will measure the energy distribution of electrons, protons, and heavier nuclei (E is greater than 20 keV) during the cruise phase and in the cometary environment during the Halley encounter. The detector system consists of three particle telescopes each incorporating totally depleted silicon surface barrier layer detectors, and employing active and passive background shielding. In-situ measurements will be made of the flux and spatial distribution of energetic electrons and cometary ions in the Halley environment. Particle acceleration due to magnetic-field-line reconnection processes will, if present, be detected. The occurrence of a solar-particle event during the encounter would provide special opportunities to study the comet/solar-wind interaction and dust distribution around the comet, while the EPA would act as a reference for onboard instruments that are sensitive to particle radiation. Cruise-phase studies provide interplanetary particle flux levels since switch-on, and flare-related particle enhancements are detected.

  11. National Ignition Campaign Hohlraum Energetics

    SciTech Connect

    Meezan, N B; Atherton, L J; Callahan, D A; Dewald, E L; Dixit, S N; Dzenitis, E G; Edwards, M J; Haynam, C A; Hinkel, D E; Jones, O S; Landen, O; London, R A; Michel, P A; Moody, J D; Milovich, J L; Schneider, M B; Thomas, C A; Town, R J; Warrick, A L; Weber, S V; Widmann, K; Glenzer, S H; Suter, L J; MacGowan, B J; Kline, J L; Kyrala, G A; Nikroo, A

    2009-11-16

    The first series of experiments on the National Ignition Facility (NIF) [E. I. Moses, R. N. Boyd, B. A. Remington, C. J. Keane, and R. Al-Ayat, 'The National Ignition Facility: ushering in a new age for high energy density science,' Phys. Plasmas 16, 041006 (2009)] tested ignition hohlraum 'energetics,' a term described by four broad goals: (1) Measurement of laser absorption by the hohlraum; (2) Measurement of the x-ray radiation flux (T{sub RAD}{sup 4}) on the surrogate ignition capsule; (3) Quantitative understanding of the laser absorption and resultant x-ray flux; and (4) Determining whether initial hohlraum performance is consistent with requirements for ignition. This paper summarizes the status of NIF hohlraum energetics experiments. The hohlraum targets and experimental design are described, as well as the results of the initial experiments. The data demonstrate low backscattered energy (< 10%) for hohlraums filled with helium gas. A discussion of our current understanding of NIF hohlraum x-ray drive follows, including an overview of the computational tools, i.e., radiation-hydrodynamics codes, that have been used to design the hohlraums. The performance of the codes is compared to x-ray drive and capsule implosion data from the first NIF experiments. These results bode well for future NIF ignition hohlraum experiments.

  12. Dynamics of energetic plasma sheet electrons

    NASA Astrophysics Data System (ADS)

    Burin Des Roziers, Edward

    2009-06-01

    The dynamics of energetic plasma sheet electrons plays an important role in many geomagnetic processes. The intent of this thesis is to extend the current understanding of the relationship between the solar wind and energetic plasma sheet electrons (~> 40 keV ), as well as the variability of these electrons within the plasma sheet. The statistical relationship between tens of keV plasma sheet electrons and the solar wind, as well as > 2 MeV geosynchronous electrons, is investigated, using plasma sheet measurements from Cluster (2001 - 2005) and Geotail (1998 - 2005), and concurrent solar wind measurements from ACE. Statistically, plasma sheet electron flux variations are compared to solar wind velocity, density, dynamic pressure, IMF B z , and solar wind energetic electrons, as well as > 2 MeV electrons at geosynchronous orbit. Several new results are revealed: (1) there is a strong positive correlation between energetic plasma sheet electrons and solar wind velocity; (2) this correlation is valid throughout the plasma sheet and extends to distances of X GSM =-30 R E ; (3) there is evidence of a weak negative correlation between energetic plasma sheet electrons and solar wind density; (4) energetic plasma sheet electrons are enhanced during times of southward interplanetary magnetic field (IMF); (5) there is no clear correlation between energetic plasma sheet electrons and solar wind electrons of comparable energies; and (6) there is a strong correlation between energetic electrons in the plasma sheet and > 2 MeV electrons at geosynchronous orbit measured 2 days later. In addition, the variability of energetic electron fluxes within the plasma sheet is explored. Interesting events were found using a combination of automated methods and visual inspection. Events are classified into 4 main types: (1) plasma sheet empty of energetic electrons; (2) decreasing plasma sheet energetic electron fluxes; (3) increasing plasma sheet energetic electron fluxes; and (4) sharp

  13. Influence of Energetic Ions on Tearing Modes

    SciTech Connect

    Cai Huishan; Wang Shaojie; Xu Yinfeng; Cao Jintao; Li Ding

    2011-02-18

    In contrast with the stability effects of trapped energetic ions on tearing modes, the effects of circulating energetic ions (CEI) on tearing modes depend on the toroidal circulating direction, and are closely related to the momentum of energetic ions. CEI provide an additional source or sink of momentum to affect tearing modes. For co-CEI, tearing modes can be stabilized if the momentum of energetic ions is large enough. On the other hand, the growth of tearing modes can be enhanced by counter-CEI. Further, a possibility to suppress the island growth of neoclassical tearing modes by co-CEI is pointed out.

  14. Organic metal neutron detector

    DOEpatents

    Butler, Michael A.; Ginley, David S.

    1987-01-01

    A device for detecting neutrons comprises a layer of conductive polymer sandwiched between electrodes, which may be covered on each face with a neutron transmissive insulating material layer. Conventional electrodes are used for a non-imaging integrating total neutron fluence-measuring embodiment, while wire grids are used in an imaging version of the device. The change in conductivity of the polymer after exposure to a neutron flux is determined in either case to provide the desired data. Alternatively, the exposed conductive polymer layer may be treated with a chemical reagent which selectively binds to the sites altered by neutrons to produce an image of the flux detected.

  15. Organic metal neutron detector

    DOEpatents

    Butler, M.A.; Ginley, D.S.

    1984-11-21

    A device for detection of neutrons comprises: as an active neutron sensing element, a conductive organic polymer having an electrical conductivity and a cross-section for said neutrons whereby a detectable change in said conductivity is caused by impingement of said neutrons on the conductive organic polymer which is responsive to a property of said polymer which is altered by impingement of said neutrons on the polymer; and means for associating a change in said alterable property with the presence of neutrons at the location of said device.

  16. Extreme solar energetic particle events

    NASA Astrophysics Data System (ADS)

    Vainio, Rami; Afanasiev, Alexandr; Battarbee, Markus

    2016-04-01

    Properties of extreme solar energetic particle (SEP) events, here defined as those leading to ground level enhancements (GLEs) of cosmic rays, are reviewed. We review recent efforts on modeling SEP acceleration to relativistic energies and present simulation results on particle acceleration at shocks driven by fast coronal mass ejections (CMEs) in different types of coronal magnetic structures and turbulent downstream compression regions. Based on these modeling results, we discuss the possible role of solar and CME parameters in the lack of GLEs during the present sunspot cycle. This work has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 637324 (HESPERIA). The Academy of Finland is thanked for financial support.

  17. Nuclear gamma rays from energetic particle interactions

    NASA Technical Reports Server (NTRS)

    Ramaty, R.; Kozlovsky, B.; Lingenfelter, R. E.

    1978-01-01

    Gamma ray line emission from nuclear deexcitation following energetic particle reactions is evaluated. The compiled nuclear data and the calculated gamma ray spectra and intensities can be used for the study of astrophysical sites which contain large fluxes of energetic protons and nuclei. A detailed evaluation of gamma ray line production in the interstellar medium is made.

  18. Interchange mode excited by trapped energetic ions

    SciTech Connect

    Nishimura, Seiya

    2015-07-15

    The kinetic energy principle describing the interaction between ideal magnetohydrodynamic (MHD) modes with trapped energetic ions is revised. A model is proposed on the basis of the reduced ideal MHD equations for background plasmas and the bounce-averaged drift-kinetic equation for trapped energetic ions. The model is applicable to large-aspect-ratio toroidal devices. Specifically, the effect of trapped energetic ions on the interchange mode in helical systems is analyzed. Results show that the interchange mode is excited by trapped energetic ions, even if the equilibrium states are stable to the ideal interchange mode. The energetic-ion-induced branch of the interchange mode might be associated with the fishbone mode in helical systems.

  19. Observations and Modeling of Geospace Energetic Particles

    NASA Astrophysics Data System (ADS)

    Li, Xinlin

    2016-07-01

    Comprehensive measurements of energetic particles and electric and magnetic fields from state-of-art instruments onboard Van Allen Probes, in a geo-transfer-like orbit, revealed new features of the energetic particles and the fields in the inner magnetosphere and impose new challenges to any quantitative modeling of the physical processes responsible for these observations. Concurrent measurements of energetic particles by satellites in highly inclined low Earth orbits and plasma and fields by satellites in farther distances in the magnetospheres and in the up stream solar wind are the critically needed information for quantitative modeling and for leading to eventual accurate forecast of the variations of the energetic particles in the magnetosphere. In this presentation, emphasis will be on the most recent advance in our understanding of the energetic particles in the magnetosphere and the missing links for significantly advance in our modeling and forecasting capabilities.

  20. Energetic particle influences in Earth's atmosphere

    NASA Astrophysics Data System (ADS)

    Aplin, Karen; Harrison, R. Giles; Nicoll, Keri; Rycroft, Michael; Briggs, Aaron

    2016-04-01

    Energetic particles from outer space, known as galactic cosmic rays, constantly ionise the entire atmosphere. During strong solar storms, solar energetic particles can also reach the troposphere and enhance ionisation. Atmospheric ionisation generates cluster ions. These facilitate current flow in the global electric circuit, which arises from charge separation in thunderstorms driven by meteorological processes. Energetic particles, whether solar or galactic in origin, may influence the troposphere and stratosphere through a range of different mechanisms, each probably contributing a small amount. Some of the suggested processes potentially acting over a wide spatial area in the troposphere include enhanced scavenging of charged aerosol particles, modification of droplet or droplet-droplet behavior by charging, and the direct absorption of infra-red radiation by the bending and stretching of hydrogen bonds inside atmospheric cluster-ions. As well as reviewing the proposed mechanisms by which energetic particles modulate atmospheric properties, we will also discuss new instrumentation for measurement of energetic particles in the atmosphere.

  1. Energetic Particle-induced Geodesic Acoustic Mode

    SciTech Connect

    Fu, G.Y.

    2008-09-12

    A new energetic particle-induced Geodesic Acoustic Mode (EGAM) is shown to exist. The mode frequency, mode structure, and mode destabilization are determined non-perturbatively by energetic particle kinetic effects. In particular the EGAM frequency is found to be substantially lower than the standard GAM frequency. The radial mode width is determined by the energetic particle drift orbit width and can be fairly large for high energetic particle pressure and large safety factor. These results are consistent with the recent experimental observation of the beam- driven n=0 mode in DIII-D. The new mode is important since it can degrade energetic particle confinement as shown in the DIII-D experiments. The new mode may also affect the thermal plasma confinement via its interaction with plasma micro-turbulence.

  2. Energetic Particle Influence on the Earth's Atmosphere

    NASA Astrophysics Data System (ADS)

    Mironova, Irina A.; Aplin, Karen L.; Arnold, Frank; Bazilevskaya, Galina A.; Harrison, R. Giles; Krivolutsky, Alexei A.; Nicoll, Keri A.; Rozanov, Eugene V.; Turunen, Esa; Usoskin, Ilya G.

    2015-11-01

    This manuscript gives an up-to-date and comprehensive overview of the effects of energetic particle precipitation (EPP) onto the whole atmosphere, from the lower thermosphere/mesosphere through the stratosphere and troposphere, to the surface. The paper summarizes the different sources and energies of particles, principally galactic cosmic rays (GCRs), solar energetic particles (SEPs) and energetic electron precipitation (EEP). All the proposed mechanisms by which EPP can affect the atmosphere are discussed, including chemical changes in the upper atmosphere and lower thermosphere, chemistry-dynamics feedbacks, the global electric circuit and cloud formation. The role of energetic particles in Earth's atmosphere is a multi-disciplinary problem that requires expertise from a range of scientific backgrounds. To assist with this synergy, summary tables are provided, which are intended to evaluate the level of current knowledge of the effects of energetic particles on processes in the entire atmosphere.

  3. Femtosecond Laser Interaction with Energetic Materials

    SciTech Connect

    Roos, E; Benterou, J; Lee, R; Roeske, F; Stuart, B

    2002-03-25

    Femtosecond laser ablation shows promise in machining energetic materials into desired shapes with minimal thermal and mechanical effects to the remaining material. We will discuss the physical effects associated with machining energetic materials and assemblies containing energetic materials, based on experimental results. Interaction of ultra-short laser pulses with matter will produce high temperature plasma at high-pressure which results in the ablation of material. In the case of energetic material, which includes high explosives, propellants and pyrotechnics, this ablation process must be accomplished without coupling energy into the energetic material. Experiments were conducted in order to characterize and better understand the phenomena of femtosecond laser pulse ablation on a variety of explosives and propellants. Experimental data will be presented for laser fluence thresholds, machining rates, cutting depths and surface quality of the cuts.

  4. Solar impulsive energetic electron events

    NASA Astrophysics Data System (ADS)

    Wang, Linghua

    The Sun is capable of accelerating ions from ~ tens of keV up to tens of GeV and electrons from ~ tens of eV up to hundreds of MeVs in transient events such as flares and fast coronal mass ejections (CMEs). The energized particles escaping into the interplanetary medium are referred to as Solar Energetic Particle (SEP) events. The great majority of SEP events are impulsive SEP events that are dominated by ~1-100 keV electrons and ~MeV/nucleon ion emissions, with enhanced 3 He/ 4 He ratios up to 10 4 times the coronal values (also called electron/ 3 He-rich SEP events). This thesis is focused on solar impulsive energetic electron events, the electron part of impulsive SEP events, using electron observations from the 3-D Plasma and Energetic Particle instrument (3DP) on the WIND spacecraft near the Earth. First, I present the first comprehensive statistical study of solar energetic electron events over almost one solar cycle. I find that the occurrence rate of solar electron events shows a strong solar-cycle variation; after correction for the background effect, the estimated occurrence frequency exhibits a good power-law distribution, and the estimated occurrence rate near the Earth is ~1000/year at solar maximum and ~30/year at solar minimum for the instrumental sensitivity (~2.9×10^-4 (cm 2 s str eV) -1 for the 40 keV channel) of WIND/3DP, about one order of magnitude larger than the observed occurrence rate. Solar energetic electron events have a one-to-one association with type III radio bursts and a poor association with flares, but a close association with 3 He- rich ion emissions. These 3 He-rich electron events also have a poor association with flares but a close (~ 60%) association with west-limb CMEs. Then I present two case studies: one investigating the temporal relationship between solar impulsive electrons and type III radio emissions, and the second studying the temporal relationship between solar impulsive electrons and 3 He- rich ions. For both

  5. Interface characteristics in Co2MnSi/Ag/Co2MnSi trilayer

    NASA Astrophysics Data System (ADS)

    Li, Yang; Chen, Hong; Wang, Guangzhao; Yuan, Hongkuan

    2016-05-01

    Interface characteristics of Co2MnSi/Ag/Co2MnSi trilayer have been investigated by means of first-principles. The most likely interface is formed by connecting MnSi-termination to the bridge site between two Ag atoms. As annealed at high temperature, the formation of interface DO3 disorder is most energetically favorable. The spin polarization is reduced by both the interface itself and interface disorder due to the interface state occurs in the minority-spin gap. As a result, the magneto-resistance ratio has a sharp drop based on the estimation of a simplified modeling.

  6. Numerical Analyses of Energetic Particles in LHD

    SciTech Connect

    Todo, Yasushi; Murakami, S.; Yamamoto, T.; Fukuyama, A.; Spong, Donald A; Yamamoto, S.; Osakabe, M.; Nakajima, N.

    2010-01-01

    The confinement of energetic ions generated by neutral beam injection (NBI) and ion cyclotron resonance frequency heating is studied using GNET simulation code, in which the drift kinetic equation is solved in five-dimensional phase-space. The steady-state distributions of the energetic ions are obtained, and characteristics of the energetic-ion distribution depending on the plasma heating method are shown. The magnetic configuration effect on the energetic-ion confinement is also investigated, and it is found that the energetic-ion confinement is improved by a strong inward shift of the magnetic axis position in the major radius direction. The interaction between energetic particles and Alfven eigenmodes are investigated using the MEGA code and the AE3D code. A reduced version of the MEGA code has been developed to simulate the Alfven eigenmode (AE) evolution in the Large Helical Device (LHD) plasma with NBI and collisions taken into account. The spatial profile and frequency of the AE modes in the LHD plasma are analyzed with the AE3D code. The evolution of energetic particles and AE mode amplitude and phase are followed in a self-consistent way, while the AE spatial profiles are assumed to be constant. It is demonstrated that the AE bursts can be simulated with the new code.

  7. Interfacial energetics approach for analysis of endothelial cell and segmental polyurethane interactions.

    PubMed

    Hill, Michael J; Cheah, Calvin; Sarkar, Debanjan

    2016-08-01

    Understanding the physicochemical interactions between endothelial cells and biomaterials is vital for regenerative medicine applications. Particularly, physical interactions between the substratum interface and spontaneously deposited biomacromolecules as well as between the induced biomolecular interface and the cell in terms of surface energetics are important factors to regulate cellular functions. In this study, we examined the physical interactions between endothelial cells and segmental polyurethanes (PUs) using l-tyrosine based PUs to examine the structure-property relations in terms of PU surface energies and endothelial cell organization. Since, contact angle analysis used to probe surface energetics provides incomplete interpretation and understanding of the physical interactions, we sought a combinatorial surface energetics approach utilizing water contact angle, Zisman's critical surface tension (CST), Kaelble's numerical method, and van Oss-Good-Chaudhury theory (vOGCT), and applied to both substrata and serum adsorbed matrix to correlate human umbilical vein endothelial cell (HUVEC) behavior with surface energetics of l-tyrosine based PU surfaces. We determined that, while water contact angle of substratum or adsorbed matrix did not correlate well with HUVEC behavior, overall higher polarity according to the numerical method as well as Lewis base character of the substratum explained increased HUVEC interaction and monolayer formation as opposed to organization into networks. Cell interaction was also interpreted in terms of the combined effects of substratum and adsorbed matrix polarity and Lewis acid-base character to determine the effect of PU segments. PMID:27065449

  8. Subsatellite measurements of plasma and energetic particles

    NASA Technical Reports Server (NTRS)

    Anderson, K. A.; Chase, L. M.; Lin, R. P.; Mccoy, J. E.; Mcguire, R. E.

    1972-01-01

    The Apollo 16 particles and fields subsatellite is instrumented to measure (1) plasma and energetic-particle fluxes, (2) vector magnetic fields, and (3) velocity of the subsatellite to a high precision for the purpose of determining lunar gravitational anomalies. Results from the magnetic-field and gravitational-field experiments are discussed. The results obtained from the plasma and energetic-particle detectors are discussed briefly. The plasma and energetic-particles experiment describes the various plasma regimes in which the moon moves, and determines how the moon interacts with the plasma and magnetic fields in the environment.

  9. Hypothalamic lipophagy and energetic balance.

    PubMed

    Singh, Rajat

    2011-10-01

    Autophagy is a conserved cellular turnover process that degrades unwanted cytoplasmic material within lysosomes. Through "in bulk" degradation of cytoplasmic proteins and organelles, including lipid droplets, autophagy helps provide an alternative fuel source, in particular, when nutrients are scarce. Recent work demonstrates a role for autophagy in hypothalamic agouti-related peptide (AgRP) neurons in regulation of food intake and energy balance. The induction of autophagy in hypothalamic neurons during starvation mobilizes neuronal neutral lipids to generate neuron-intrinsic free fatty acids that serve to upregulate fasting-induced AgRP levels. Blocking autophagy in AgRP neurons in mice reduces fasting-induced food intake, and increases constitutive levels of anorexigenic hypothalamic proopiomelanocortin and its cleavage product α-melanocyte stimulating hormone. The energetic consequences of these molecular events are decreased body weight and reduced adiposity. The present article discusses this recent finding, as well as considers possible future directions that may help better understand how neuronal autophagy, and its possible reduction during aging, may affect whole body energy balance. PMID:22024462

  10. POET: POlarimeters for Energetic Transients

    NASA Technical Reports Server (NTRS)

    Hill, J. E.; McConnell, M. L.; Bloser, P.; Legere, J.; Macri, J.; Ryan, J.; Barthelmy, S.; Angelini, L.; Sakamoto, T.; Black, J. K.; Hartmann, D. H.; Kaaret, P.; Zhang, B.; Ioka, K.; Nakamura, T.; Toma, K.; Yamazaki, R.; Wu, X.

    2008-01-01

    POET (Polarimeters for Energetic Transients) is a Small Explorer mission concept proposed to NASA in January 2008. The principal scientific goal of POET is to measure GRB polarization between 2 and 500 keV. The payload consists of two wide FoV instruments: a Low Energy Polarimeter (LEP) capable of polarization measurements in the energy range from 2-15 keV and a high energy polarimeter (Gamma-Ray Polarimeter Experiment - GRAPE) that will measure polarization in the 60-500 keV energy range. Spectra will be measured from 2 keV up to 1 MeV. The POET spacecraft provides a zenith-pointed platform for maximizing the exposure to deep space. Spacecraft rotation will provide a means of effectively dealing with systematics in the polarization response. POET will provide sufficient sensitivity and sky coverage to measure statistically significant polarization for up to 100 GRBs in a two-year mission. Polarization data will also be obtained for solar flares, pulsars and other sources of astronomical interest.

  11. The Galileo Energetic Particles Detector

    NASA Technical Reports Server (NTRS)

    Williams, D. J.; Mcentire, R. W.; Jaskulek, S.; Wilken, B.

    1992-01-01

    Amongst its complement of particles and fields instruments, the Galileo spacecraft carries an Energetic Particles Detector (EPD) designed to measure the characteristics of particle populations important in determining the size, shape, and dynamics of the Jovian magnetosphere. To do this the EPD provides 4pi angular coverage and spectral measurements for Z greater than or equal to 1 ions from 20 keV to 55 MeV, for electrons from 15 keV to greater than 11 MeV, and for the elemental species helium through iron from approximately 10 keV/nucl to 15 MeV/nucl. Two bidirectional telescopes, mounted on a stepping platform, employ magnetic deflection, energy loss versus energy, and time-of-flight techniques to provide 64 rate channels and pulse height analysis of priority selected events. The EPD data system provides a large number of possible operational modes from which a small number will be selected to optimize data collection during the many encounter and cruise phases of the mission. The EPD employs a number of safeing algorithms that are to be used in the event that its self-checking procedures indicate a problem. The instrument and its operation are described.

  12. The Energetics of Centrifugal Instability

    NASA Astrophysics Data System (ADS)

    Dewar, W. K.; Jiao, Y.

    2014-12-01

    A recent study has argued that the California Undercurrent, and poleward eastern boundary currents in general, generate mixing events through centrifugal instability (CI). Conditions favorable for CI are created by the strong horizontal shears developed in turbulent bottom layers of currents flowing in the direction of topographic waves. At points of abrupt topographic change, like promontories and capes, the coastal current separates from the boundary and injects gravitationally stable but dynamically unstable flow into the interior. The resulting finite amplitude development of the instability involves overturnings and diabatic mixing. The purpose of this study is to examine the energetics of CI in order to characterize it as has been done for other instabilities and develop a framework in which to estimate its regional and global impacts. We argue that CI is roughly twice as efficient at mixing as is Kelvin-Helmholtz instability, and that roughly 10% of the initial energy in a CUC-like current is lost to either local mixing or the generation of unbalanced flows. The latter probably leads to non-local mixing. Thus centrifugal instability is an effective process by which energy is lost from the balanced flow and spent in mixing neighboring water masses. We argue the importance of the mixing is regional in nature, but of less importance to the global budgets given its regional specificity.

  13. Cosmic Ray Energetics And Mass

    NASA Astrophysics Data System (ADS)

    Seo, Eun-Suk

    The 6 flights of the Cosmic Ray Energetics and Mass (CREAM) balloon payload over Antarctica accumulated 161 days of exposure. The instrument is configured with complementary and redundant particle detectors for direct measurements of high energy cosmic ray elemental spectra. The calorimeter and Silicon Charge Detectors (SCD) from one of the two instruments are being re-configured for the International Space Station, dubbed ISS-CREAM. The other calorimeter and detectors that are too large to fit in the ISS Japanese Experiment Module Exposed Facility envelope are kept for balloon flights. The large area Timing Charged Detector (TCD) and newly developed Transition Radiation Detector (TRD) will be used for studying the propagation history of cosmic rays by measuring relative abundances of secondary particles, e.g., Boron. This Boron and Carbon Cosmic Rays in the Upper Stratosphere (BACCUS) balloon payload will provide in-flight cross calibration of the calorimeter and TRD for Z > 3 particles. The status of the payload construction and flight preparation will be reported.

  14. Cosmic Ray Energetics And Mass

    NASA Astrophysics Data System (ADS)

    Seo, Eun-Suk

    2014-08-01

    The balloon-borne Cosmic Ray Energetics And Mass (CREAM) experiment was flown for ~161 days in six flights over Antarctica. High energy cosmic-ray data were collected over a wide energy range from ~ 10^10 to > 10^14 eV at an average altitude of ~38.5 km with ~3.9 g/cm2 atmospheric overburden. Cosmic-ray elements from protons (Z = 1) to iron nuclei (Z = 26) are separated with excellent charge resolution. Building on success of the balloon flights, the payload is being reconfigured for exposure on the International Space Station (ISS). This ISS-CREAM instrument is configured with the CREAM calorimeter for energy measurements, and four finely segmented Silicon Charge Detector layers for precise charge measurements. In addition, the Top and Bottom Counting Detectors (TCD and BCD) and Boronated Scintillator Detector (BSD) have been newly developed. The TCD and BCD are scintillator based segmented detectors to separate electrons from nuclei using the shower profile differences, while BSD distinguishes electrons from nuclei by detecting thermal neutrons that are dominant in nuclei induced showers. An order of magnitude increase in data collecting power is possible by utilizing the ISS to reach the highest energies practical with direct measurements. The project status including results from on-going analysis of existing data and future plans will be discussed.

  15. Analysing organic transistors based on interface approximation

    SciTech Connect

    Akiyama, Yuto; Mori, Takehiko

    2014-01-15

    Temperature-dependent characteristics of organic transistors are analysed thoroughly using interface approximation. In contrast to amorphous silicon transistors, it is characteristic of organic transistors that the accumulation layer is concentrated on the first monolayer, and it is appropriate to consider interface charge rather than band bending. On the basis of this model, observed characteristics of hexamethylenetetrathiafulvalene (HMTTF) and dibenzotetrathiafulvalene (DBTTF) transistors with various surface treatments are analysed, and the trap distribution is extracted. In turn, starting from a simple exponential distribution, we can reproduce the temperature-dependent transistor characteristics as well as the gate voltage dependence of the activation energy, so we can investigate various aspects of organic transistors self-consistently under the interface approximation. Small deviation from such an ideal transistor operation is discussed assuming the presence of an energetically discrete trap level, which leads to a hump in the transfer characteristics. The contact resistance is estimated by measuring the transfer characteristics up to the linear region.

  16. Elucidation of the dynamics for hot-spot initiation at nonuniform interfaces of highly shocked materials

    NASA Astrophysics Data System (ADS)

    An, Qi; Zybin, Sergey V.; Goddard, William A., III; Jaramillo-Botero, Andres; Blanco, Mario; Luo, Sheng-Nian

    2011-12-01

    The fundamental processes in shock-induced instabilities of materials remain obscure, particularly for detonation of energetic materials. We simulated these processes at the atomic scale on a realistic model of a polymer-bonded explosive (3,695,375 atoms/cell) and observed that a hot spot forms at the nonuniform interface, arising from shear relaxation that results in shear along the interface that leads to a large temperature increase that persists long after the shock front has passed the interface. For energetic materials this temperature increase is coupled to chemical reactions that lead to detonation. We show that decreasing the density of the binder eliminates the hot spot.

  17. Energetic particle characteristics of magnetotail flux ropes

    NASA Technical Reports Server (NTRS)

    Scholer, M.; Klecker, B.; Hovestadt, D.; Gloeckler, G.; Ipavich, F. M.; Galvin, A. B.

    1985-01-01

    During the recent ISEE-3 Geotail Mission three events have been identified from the magnetometer data which are consistent with a spacecraft crossing of a magnetotail flux rope. Energetic electron and proton observations obtained by the Max-Planck-Institut/University of Maryland sensor system during two of the possible flux rope events are presented. During one event remote sensing of the flux rope with energetic protons reveals that the flux rope is crossed by the spacecraft from south to north. This allows determination of the bandedness of the magnetic field twist and of the flux rope velocity relative to the spacecraft. A minimal flux rope radius of 3 earth radii is derived. Energetic proton intensity is highest just inside of the flux rope and decreases towards the core. Energetic electrons are streaming tailward near the outer boundary, indicating openness of the field lines, and are isotropic through the inner part of the flux rope.

  18. Applications and implications of ecological energetics.

    PubMed

    Tomlinson, Sean; Arnall, Sophie G; Munn, Adam; Bradshaw, S Don; Maloney, Shane K; Dixon, Kingsley W; Didham, Raphael K

    2014-05-01

    The ecological processes that are crucial to an animal's growth, survival, and reproductive fitness have energetic costs. The imperative for an animal to meet these costs within the energetic constraints of the environment drives many aspects of animal ecology and evolution, yet has largely been overlooked in traditional ecological paradigms. The field of 'ecological energetics' is bringing comparative physiology out of the laboratory and, for the first time, is becoming broadly accessible to field ecologists addressing real-world questions at many spatial and temporal scales. In an era of unprecedented global environmental challenges, ecological energetics opens up the tantalising prospect of a more predictive, mechanistic understanding of the drivers of threatened species decline, delivering process-based modelling approaches to natural resource management. PMID:24725438

  19. Optimizing Stellarators for Energetic Particle Confinement using BEAMS3D

    NASA Astrophysics Data System (ADS)

    Bolgert, Peter; Drevlak, Michael; Lazerson, Sam; Gates, David; White, Roscoe

    2015-11-01

    Energetic particle (EP) loss has been called the ``Achilles heel of stellarators,'' (Helander, Rep. Prog. Phys. 77 087001 (2014)) and there is a great need for magnetic configurations with improved EP confinement. In this study we utilize a newly developed capability of the stellarator optimization code STELLOPT: the ability to optimize EP confinement via an interface with guiding center code BEAMS3D (McMillan et al., Plasma Phys. Control. Fusion 56, 095019 (2014)). Using this new tool, optimizations of the W7-X experiment and ARIES-CS reactor are performed where the EP loss fraction is one of many target functions to be minimized. In W7-X, we simulate the experimental NBI system using realistic beam geometry and beam deposition physics. The goal is to find configurations with improved neutral beam deposition and energetic particle confinement. These calculations are compared to previous studies of W7-X NBI deposition. In ARIES-CS, we launch 3.5 MeV alpha particles from a near-axis flux surface using a uniform grid in toroidal and poloidal angle. As these particles are born from D-T reactions, we consider an isotropic distribution in velocity space. This research is supported by DoE Contract Number DE-AC02-09CH11466.

  20. Size distributions of solar energetic particle events

    NASA Technical Reports Server (NTRS)

    Cliver, E.; Reames, D.; Kahler, S.; Cane, H.

    1991-01-01

    NASA particle detectors on the IMP-8 are employed to determine the size distributions of the peak fluxes of events related to solar-energetic particles including protons and electrons. The energetic proton events show a flatter size distribution which suggests that not all flares are proton flares. Both the electron and proton events are classified as either 'impulsive' or 'gradual', and the impulsive events tend to have a steeper power-law distribution.

  1. Safer energetic materials by a nanotechnological approach

    NASA Astrophysics Data System (ADS)

    Siegert, Benny; Comet, Marc; Spitzer, Denis

    2011-09-01

    Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity.Energetic materials - explosives, thermites, populsive powders - are used in a variety of military and civilian applications. Their mechanical and electrostatic sensitivity is high in many cases, which can lead to accidents during handling and transport. These considerations limit the practical use of some energetic materials despite their good performance. For industrial applications, safety is one of the main criteria for selecting energetic materials. The sensitivity has been regarded as an intrinsic property of a substance for a long time. However, in recent years, several approaches to lower the sensitivity of a given substance, using nanotechnology and materials engineering, have been described. This feature article gives an overview over ways to prepare energetic (nano-)materials with a lower sensitivity. Electronic supplementary information (ESI) available: Experimental details for the preparation of the V2O5@CNF/Al nanothermite; X-ray diffractogram of the V2O5@CNF/Al combustion residue; installation instructions and source code for the nt-timeline program. See DOI: 10.1039/c1nr10292c

  2. Molecular thermometry of energetic materials

    SciTech Connect

    Fishbine, B.H.; Lippert, T.; Dick, J.J.

    1997-07-01

    When a solid object with a velocity <1 km/s strikes a solid high explosive, the increase in the bulk temperature of the explosive is usually too low to thermally initiate it. It is believed, however, that the energy in the stress or shock wave created by the impact can heat individual microscopic regions that ignite and cause detonation. Although many mechanisms have been suggested for how the impact energy creates these hot spots, there has been no real-time observation of their growth at early times because of their small dimensions (estimated to be 0.1--10 {micro}m), the short times required for their growth (estimated to be 0.5 {micro}s--1 ms), and because their temperatures are too low (estimated to be <2,000 K) for them to radiate much energy in the visible. One possible way to observe early hot-spot growth is to measure temperature-dependent changes in the optical properties--absorbance, diffuse reflection, Raman spectra--of either the components of the explosive or of molecules attached to them. This temperature measurement technique is called molecular thermometry. Molecular thermometers can respond to heating within a few picoseconds with spatial resolution that can, in principle, approach the diameter of a single molecule. Temperatures as high as 900 C have been measured by molecular thermometers in laser-pulse-heated polymers. The authors discuss the literature pertaining to molecular thermometry, the effect of stress on the optical properties of some molecules that may be used as thermometers, and experiments that have used molecular thermometry to probe, on the picosecond time scale, shock excitation of the vibrational modes of molecules of energetic material. The authors also suggest ways to use molecular thermometers to observe hot-spot formation in PBX9501, a plastic-bonded explosive, subjected to impact.

  3. The energetics of Titan's ionosphere

    NASA Astrophysics Data System (ADS)

    Roboz, A.; Nagy, A. F.

    1994-02-01

    We have developed a comprehensive model to study the dynamics and energetics of the ionosphere of Titan. We solved the one-dimensional, time-dependent, coupled continuity and momentum equations for several ion species, together with single ion and electron energy equations, in order to calculate density, velocity, and temperature profiles. Calculations were carried out for several cases corresponding to different local times and configurations of the Titan-Saturn system. In our model the effects of horizontal magnetic fields were assumed to be negligible, except for their effect on reducing the electron and ion thermal conductivities and inhibiting vertical transport in the subram region. The ionospheric density peak was found to be at an altitude of about 1100 km, in accordance with earlier model calculations. The ionosphere is chemically controlled below an altitude of about 1500 km. Above this level, ion densities differ significantly from their chemical equilibrium values due to strong upward ion velocities. Heat is deposited in a narrow region around the ionospheric peak, resulting in temperature profiles increasing sharply and reaching nearly constant values of 800-1000 deg K for electrons and 300 deg K for ions in the topside, assuming conditions appropriate for the wake region. In the subram region magnetic correction factors make the electron heat conductivities negligible, resulting in electron temperatures increasing strongly with altitude and reaching values in the order of 5000 deg K at our upper boundary located at 2200 km. Ion chemical heating is found to play an important role in shaping the ion energy balance in Titan's ionosphere.

  4. Photoactive energetic materials: linear and nonlinear photochemistry of chromophore linked energetic materials

    NASA Astrophysics Data System (ADS)

    Greenfield, Margo; McGrane, Shawn; Bolme, Cindy; Chavez, David; Veauthier, Jacqueline; Hanson, Susan; Myers, Thomas; Scharff, Jason

    2015-06-01

    In general, conventional molecular explosives are white to off-white in color and only absorb ultraviolet light. A novel approach to synthetically link optically active energetic chromophores to existing molecular energetic materials has resulted in increased photoactivity in the visible (532 nm) region of the electromagnetic spectrum. Tetrazine, an energetic optically active chromophore, which absorbs around 532 nm, has been derivatized with various energetic materials including pentaeythritol tetranitrate (PETN), nitroglycerine (NG) and dinitroazetidine (DNAZ). We report the corresponding photochemistry and photochemical quantum yields of these new materials under various wavelength and intensity regimes.

  5. Laser cutting of energetic materials

    SciTech Connect

    Rivera, T.; Muenchausen, R.; Sanchez, J.

    1998-12-01

    The authors have demonstrated the feasibility of safely and efficiently cutting and drilling metal cases containing a variety of high explosives (HE) using a Nd:YAG laser. Spectral analysis of the optical emission, occurring during the laser-induced ablation process, is used to identify the removed material. By monitoring changes in the optical emission during the cutting process, the metal-He interface can be observed in real time and the cutting parameters adjusted accordingly. For cutting the HE material itself, the authors have demonstrated that this can be safely and efficiently accomplished by means of a ultraviolet (UV) laser beam obtained from the same Nd:YAG laser using the third or fourth harmonics. They are currently applying this technology to UXO identification and ordnance demilitarization.

  6. Emerging interface dipole versus screening effect in copolymer/metal nano-layered systems

    NASA Astrophysics Data System (ADS)

    Torrisi, V.; Ruffino, F.; Liscio, A.; Grimaldi, M. G.; Marletta, G.

    2015-12-01

    Despite to the importance on the charge carrier injection and transport at organic/metal interface, there is yet an incomplete estimation of the various contribution to the overall dipole. This work shows how the mapping of the surface potential performed by Kelvin Probe Force Microscopy (KPFM) allows the direct observation of the interface dipole within an organic/metal multilayered structure. Moreover, we show how the sub-surface sensitivity of the KPFM depends on the thickness and surface coverage of the metallic layer. This paper proposes a way to control the surface potential of the exposed layer of an hybrid layered system by controlling the interface dipole at the organic/metal interface as a function of the nanometer scale thickness and the surface coverage of the metallic layer. We obtained a layered system constituted by repeated sequence of a copolymer film, poly(n-butylacrylate)-b-polyacrilic acid, and Au layer. We compared the results obtained by means of scanning probe microscopy technique with the results of the KPFM technique, that allows us to obtain high-contrast images of the underlying layer of copolymer behind a typical threshold, on the nanoscale, of the thickness of the metal layer. We considered the effect of the morphology of the gold layer on the covered area at different thicknesses by using the scanning electron microscopy technique. This finding represents a step forward towards the using of dynamic atomic force microscopy based characterization to explore the electrical properties of the sub-surface states of layered nanohybrid, that is a critical point for nanohybrid applications in sensors and energy storage devices.

  7. Computational design of fused heterocyclic energetic materials

    NASA Astrophysics Data System (ADS)

    Tsyshevskiy, Roman; Pagoria, Philip; Batyrev, Iskander; Kuklja, Maija

    A continuous traditional search for effective energetic materials is often based on a trial and error approach. Understanding of fundamental correlations between the structure and sensitivity of the materials remains the main challenge for design of novel energetics due to the complexity of the behavior of energetic materials. State of the art methods of computational chemistry and solid state physics open new compelling opportunities in simulating and predicting a response of the energetic material to various external stimuli. Hence, theoretical and computational studies can be effectively used not only for an interpretation of sensitivity mechanisms of widely used explosives, but also for identifying criteria for material design prior to its synthesis and experimental characterization. We report here, how knowledge on thermal stability of recently synthesized materials of LLM series is used for design of novel fused heterocyclic energetic materials, including DNBTT (2,7-dinitro-4H,9H-bis([1, 2, 4"]triazolo)[1,5-b:1',5'-e][1, 2, 4, 5]tetrazine), compound with high thermal stability, which is on par or better than that of TATB. This research is supported by ONR (Grant N00014-12-1-0529), NSF XSEDE resources (Grant DMR-130077) and DOE NERSC resources (Contract DE-AC02-05CH11231).

  8. Energetic electron observations of Rhea's magnetospheric interaction

    NASA Astrophysics Data System (ADS)

    Roussos, E.; Krupp, N.; Kollmann, P.; Paranicas, C.; Mitchell, D. G.; Krimigis, S. M.

    2011-10-01

    More specifically, we show results of a phase-space density analysis, looking for evidence of energetic electron transport processes in the vicinity of Rhea's wake. We also perform energetic electron trajectory tracings in order to map regions where access of energetic electrons in Rhea's interaction region is forbidden. Such regions form because of complex energetic particle magnetic drifts downstream of Rhea, where the magnetospheric electric and magnetic fields are disturbed. We show that while our approach provides some qualitative explanation for some of the observations of electrons with energies above 100 keV, the lowest energy features in the MIMI/LEMMS dataset (20-100 keV) cannot be explained, especially those that extend upstream of Rhea and in a region that a plasma absorbing moon should, in theory, have no effect on the magnetospheric populations. Given that, in addition to the fact that Rhea orbits in a region of the magnetosphere that is thought be unstable against centrifugal interchange, we propose that the formation of Rhea's wake acts as a disturbance that helps enhance local magnetospheric interchange. Interchange driven disturbances, may then actually be the source of some of the unusual energetic electron observations. We also discuss this scenario in the context of additional published observations by the Cassini's cold plasma detector.

  9. The MAVEN Solar Energetic Particle Investigation

    NASA Astrophysics Data System (ADS)

    Larson, Davin E.; Lillis, Robert J.; Lee, Christina O.; Dunn, Patrick A.; Hatch, Kenneth; Robinson, Miles; Glaser, David; Chen, Jianxin; Curtis, David; Tiu, Christopher; Lin, Robert P.; Luhmann, Janet G.; Jakosky, Bruce M.

    2015-12-01

    The MAVEN Solar Energetic Particle (SEP) instrument is designed to measure the energetic charged particle input to the Martian atmosphere. SEP consists of two sensors mounted on corners of the spacecraft deck, each utilizing a dual, double-ended solid-state detector telescope architecture to separately measure fluxes of electrons from 20 to 1000 keV and ions from 20-6000 keV, in four orthogonal look directions, each with a field of view of 42° by 31°. SEP, along with the rest of the MAVEN instrument suite, allows the effects of high energy solar particle events on Mars' upper atmospheric structure, temperatures, dynamics and atmospheric escape rates, to be quantified and understood. Given that solar activity was likely substantially higher in the early solar system, understanding the relationship between energetic particle input and atmospheric loss today will enable more confident estimates of total atmospheric loss over Mars' history.

  10. Laser Ignition of Energetic Materials Workshop

    NASA Astrophysics Data System (ADS)

    Devries, Nora M.; Oreilly, John J.; Forch, Brad E.

    1993-11-01

    Lasers inherently possess many desirable attributes making them excellent igniters for a wide range of energetic materials such as pyrotechnics, explosives, and gun propellants. Lasers can be made very small, have modest powereD requirements, are invulnerable to external stimuli, are very reliable, and can deliver radiative energy to remote locations through optical fibers. Although the concept of using lasers for the initiation of energetic materials is not new, successful integration of laser technology into military systems has the potential to provide significant benefits. In order to efficiently expedite the evolution of the laser ignition technology for military applications, it was desirable to coordinate the effort with the JANNAF combustion community. The laser ignition of Energetic Materials Workshop was originated by Brad Forch, Austin Barrows, Richard Beyer and Arthur Cohen of the Army Research Laboratory (ARL).

  11. Energetic particle pressure in intense ESP events

    NASA Astrophysics Data System (ADS)

    Lario, D.; Decker, R. B.; Roelof, E. C.; Viñas, A.-F.

    2015-09-01

    We study three intense energetic storm particle (ESP) events in which the energetic particle pressure PEP exceeded both the pressure of the background thermal plasma Pth and the pressure of the magnetic field PB. The region upstream of the interplanetary shocks associated with these events was characterized by a depression of the magnetic field strength coincident with the increase of the energetic particle intensities and, when plasma measurements were available, a depleted solar wind density. The general feature of cosmic-ray mediated shocks such as the deceleration of the upstream background medium into which the shock propagates is generally observed. However, for those shocks where plasma parameters are available, pressure balance is not maintained either upstream of or across the shock, which may result from the fact that PEP is not included in the calculation of the shock parameters.

  12. Direct measurement of anisotropy of interfacial free energy from grain boundary groove morphology in transparent organic metal analong systems

    SciTech Connect

    Rustwick, Bryce A.

    2005-08-01

    Both academia and industry alike have paid close attention to the mechanisms of microstructural selection during the solidification process. The forces that give rise to and the principles which rule the natural selection of particular morphologies are important to understanding and controlling new microstructures. Interfacial properties play a very crucial role to the selection of such microstructure formation. In the solidification of a metallic alloy, the solid-liquid interface is highly mobile and responds to very minute changes in the local conditions. At this interface, the driving force must be large enough to drive solute diffusion, maintain local curvature, and overcome the kinetic barrier to move the interface. Therefore, the anisotropy of interfacial free energy with respect to crystallographic orientation is has a significant influence on the solidification of metallic systems. Although it is generally accepted that the solid-liquid interfacial free energy and its associated anisotropy are highly important to the overall selection of morphology, the confident measurement of these particular quantities remains a challenge, and reported values are scarce. Methods for measurement of the interfacial free energy include nucleation experiments and grain boundary groove experiments. The predominant method used to determine anisotropy of interfacial energy has been equilibrium shape measurement. There have been numerous investigations involving grain boundaries at a solid-liquid interface. These studies indicated the GBG could be used to describe various interfacial energy values, which affect solidification. Early studies allowed for an estimate of interfacial energy with respect to the GBG energy, and finally absolute interfacial energy in a constant thermal gradient. These studies however, did not account for the anisotropic nature of the material at the GBG. Since interfacial energy is normally dependent on orientation of the crystallographic plane of the

  13. Energetic electron components at geosynchronous orbit

    NASA Technical Reports Server (NTRS)

    Cayton, T. E.; Belian, R. D.; Gary, S. P.; Fritz, T. A.; Baker, D. N.

    1989-01-01

    Energy distribution functions have been derived from energetic (30-2000 keV) electron fluxes observed simultaneously by three geosynchronous orbit satellites throughout the year 1986. These distributions, as well as others derived from empirical models of outer magnetospheric electron fluxes, can be resolved into two distinct relativistic Maxwellian components which are each fully parameterized by a density and a temperature. A four-parameter characterization is presented which provides a new, simplified procedure for the interpretation of energetic electron data in the outer magnetosphere.

  14. EDITORIAL: Energetic particles in magnetic confinement systems

    NASA Astrophysics Data System (ADS)

    Toi, K.

    2006-10-01

    Energetic alpha particle physics plays an obviously crucial role in burning fusion plasmas. Good confinement of them is required to sustain fusion burn and to avoid damage of the first wall. Because of this importance for nuclear fusion research, Y. Kolesnichenko and the late D. Sigmar initiated a series of IAEA technical (committee) meetings (TCM, since the 8th meeting TM) in order to exchange information on the behaviour of energetic particles in magnetic confinement devices. The role of the TMs has become increasingly important since burning plasma projects such as ITER are in preparation. After every TM, invited speakers are encouraged to publish an adapted and extended version of their contributions to the meeting as an article in a special issue of Nuclear Fusion. An exception was the 8th TM the articles of which were published in a special issue of Plasma Physics and Controlled Fusion (2004 46 S1-118). These special issues attract much interest in the subject. The 9th IAEA TM of this series was held in Takayama, Japan, 9-11 November 2005, and 53 papers including 16 invited talks were presented. A total of 11 papers based on these invited talks are included in this special issue of Nuclear Fusion and are preceded by a conference summary. Experimental results of energetic ion driven global instabilities such as Alfvén eigenmodes (AEs), energetic particle modes (EPMs) and fishbone instabilities were presented from several tokamaks (JET, JT-60U, DIII-D and ASDEX Upgrade), helical/stellarator devices (LHD and CHS) and spherical tori (NSTX and MAST). Experimental studies from JET and T-10 tokamaks on the interaction of ion cyclotron waves with energetic ions and runaway electrons were also presented. Theoretical works on AEs, EPMs and nonlinear phenomena induced by energetic particles were presented and compared with experimental data. Extensive numerical codes have been developed and applied to obtain predictions of energetic particle behaviour in future ITER

  15. Media independent interface. Interface control document

    NASA Technical Reports Server (NTRS)

    1987-01-01

    A Media Independent Interface (MII) is specified, using current standards in the industry. The MII is described in hierarchical fashion. At the base are IEEE/International Standards Organization (ISO) documents (standards) which describe the functionality of the software modules or layers and their interconnection. These documents describe primitives which are to transcent the MII. The intent of the MII is to provide a universal interface to one or more Media Access Contols (MACs) for the Logical Link Controller and Station Manager. This interface includes both a standardized electrical and mechanical interface and a standardized functional specification which defines the services expected from the MAC.

  16. Simulation of Peptides at Aqueous Interfaces

    NASA Technical Reports Server (NTRS)

    Pohorille, Andrew; Wilson, M.; Chipot, C.; DeVincenzi, Donald L. (Technical Monitor)

    2001-01-01

    Behavior of peptides at water-membrane interfaces is of great interest in studies on cellular transport and signaling, membrane fusion, and the action of toxins and antibiotics. Many peptides, which exist in water only as random coils, can form sequence-dependent, ordered structures at aqueous interfaces, incorporate into membranes and self-assembly into functional units, such as simple ion channels. Multi -nanosecond molecular dynamics simulations have been carried out to study the mechanism and energetics of interfacial folding of both non-polar and amphiphilic peptides, their insertion into membranes and association into higher-order structures. The simulations indicate that peptides fold non-sequentially, often through a series of amphiphilic intermediates. They further incorporate into the membrane in a preferred direction as folded monomers, and only then aggregate into dimers and, possibly, further into "dimers of dimers".

  17. Understanding and Design of Polymer Device Interfaces

    SciTech Connect

    Kahn, Antoine

    2015-10-26

    The research performed under grant DE-FG02-04ER46165 between May 2008 and April 2011 focused on the understanding and control of interfaces of organic semiconductors in general, and polymer interfaces more specifically. This work was a joined effort by three experimentalists and a theoretician. Emphasis was placed on the determination of the electronic structure of these interfaces, i.e. the relative energy position of molecular levels across these interfaces. From these electronic structures depend the injection, extraction and transport of charge carriers into, from and across, respectively, all (opto)electronic devices made of these semiconductors. A significant fraction of our work focused on ways to modify and optimize interfaces, for example via chemical doping of the semiconductors to reduce interface energy barriers or via deposition of ultra-thin work function-reducing polymer or self-assembled monolayers of dipolar molecules. Another significant fraction of our work was devoted to exploring alternate and unconventional interface formation methods, in particular the soft-contact lamination of both metal contacts and polymer overlayers on top of polymer films. These methods allowed us to better understand the impact of hot metal atom evaporation on a soft organic surface, as well as the key mechanisms that control the energetics of polymer/polymer heterojunctions. Finally, a significant fraction of the research was directed to understanding the electronic structure of buried polymer heterojunctions, in particular within donor/acceptor blends of interest in organic photovoltaic applications. The work supported by this grant resulted in 17 publications in some of the best peer-reviewed journals of the field, as well as numerous presentations at US and international conferences.

  18. Piezoelectric Ignition of Nanocomposite Energetic Materials

    SciTech Connect

    Eric Collins; Michelle Pantoya; Andreas A. Neuber; Michael Daniels; Daniel Prentice

    2014-01-01

    Piezoelectric initiators are a unique form of ignition for energetic material because the current and voltage are tied together by impact loading on the crystal. This study examines the ignition response of an energetic composite composed of aluminum and molybdenum trioxide nanopowders to the arc generated from a lead zirconate and lead titanate piezocrystal. The mechanical stimuli used to activate the piezocrystal varied to assess ignition voltage, power, and delay time of aluminum–molybdenum trioxide for a range of bulk powder densities. Results show a high dielectric strength leads to faster ignition times because of the higher voltage delivered to the energetic. Ignition delay is under 0.4 ms, which is faster than observed with thermal or shock ignition. Electric ignition of composite energetic materials is a strong function of interparticle connectivity, and thus the role of bulk density on electrostatic discharge ignition sensitivity is a focus of this study. Results show that the ignition delay times are dependent on the powder bulk density with an optimum bulk density of 50%. Packing fractions and electrical conductivity were analyzed and aid in explaining the resulting ignition behavior as a function of bulk density.

  19. Error propagation in energetic carrying capacity models

    USGS Publications Warehouse

    Pearse, Aaron T.; Stafford, Joshua D.

    2014-01-01

    Conservation objectives derived from carrying capacity models have been used to inform management of landscapes for wildlife populations. Energetic carrying capacity models are particularly useful in conservation planning for wildlife; these models use estimates of food abundance and energetic requirements of wildlife to target conservation actions. We provide a general method for incorporating a foraging threshold (i.e., density of food at which foraging becomes unprofitable) when estimating food availability with energetic carrying capacity models. We use a hypothetical example to describe how past methods for adjustment of foraging thresholds biased results of energetic carrying capacity models in certain instances. Adjusting foraging thresholds at the patch level of the species of interest provides results consistent with ecological foraging theory. Presentation of two case studies suggest variation in bias which, in certain instances, created large errors in conservation objectives and may have led to inefficient allocation of limited resources. Our results also illustrate how small errors or biases in application of input parameters, when extrapolated to large spatial extents, propagate errors in conservation planning and can have negative implications for target populations.

  20. Imaging space plasmas in energetic neutral atoms

    NASA Astrophysics Data System (ADS)

    Roelof, E. C.; Demajistre, R.; Mitchell, D. G.; C:Son Brandt, P.

    2004-11-01

    Many space plasmas contain energetic singly-charged ions immersed in a cold gas of neutral atoms and molecules. When the energetic ions undergo charge-exchange collisions with the background cold neutrals, they become energetic neutral atoms (ENAs). Thus the space plasma Â"glowsÂ" in the ENAs which escape the plasma on straight-line trajectories. Properly designed 2-dimentsional particle telescopes that deflect ions using electro-static fields become ENA Â"camerasÂ". Such cameras are now operating on the NASA IMAGE spacecraft in orbit around Earth and the NASA/ESA Cassini spacecraft in orbit around Saturn. They are providing all-sky global images of the singly-charged trapped ion populations of these planets with time resolution of a few minutes. Each pixel contains an energy spectra from 10 to 200 keV/nucleon of the major singly-charged ions (protons and O^+), thus providing a quantitative diagnostic of energetic ion injection, acceleration, and transport. ENA imaging has now taken its place as a fundamental tool in magnetospheric research, and new missions are moving forward to apply ENA imaging to the heliosphere itself (the domain of the solar wind) and its termination ˜100 AU from the Sun where it interacts with the local interstellar gas.

  1. The Energetic Brain: Understanding and Managing ADHD

    ERIC Educational Resources Information Center

    Reynolds, Cecil R.; Vannest, Kimberly J.; Harrison, Judith R.

    2012-01-01

    ADHD affects millions of people-some 3 to 5% of the general population. Written by a neuroscientist who has studied ADHD, a clinician who has diagnosed and treated it for 30 years, and a special educator who sees it daily, "The Energetic Brain" provides the latest information from neuroscience on how the ADHD brain works and shows how to harness…

  2. Energetic electrons generated during solar flares

    NASA Astrophysics Data System (ADS)

    Mann, Gottfried

    2015-12-01

    > electrons are accelerated up to energies beyond 30 keV is one of the open questions in solar physics. A flare is considered as the manifestation of magnetic reconnection in the solar corona. Which mechanisms lead to the production of energetic electrons in the magnetic reconnection region is discussed in this paper. Two of them are described in more detail.

  3. Physics with energetic radioactive ion beams

    SciTech Connect

    Henning, W.F.

    1996-12-31

    Beams of short-lived, unstable nuclei have opened new dimensions in studies of nuclear structure and reactions. Such beams also provide key information on reactions that take place in our sun and other stars. Status and prospects of the physics with energetic radioactive beams are summarized.

  4. Cryocycling of energetic materials. Final report

    SciTech Connect

    Griffiths, S.; Nilson, R.; Handrock, J.; Revelli, V.; Weingarten, L.

    1997-08-01

    The Cryocycling of Energetic Materials Project was executed in the period FY`94-96 as a Life Cycle Engineering activity in the Memorandum of Understanding (MOU) on advanced conventional munitions. This MOU is an agreement between the Departments of Energy and Defense (Office of Munitions) that facilitates the development of technologies of mutual interest to the two Departments. The cryocycling process is a safe, environmentally friendly, and cost effective means of rubblizing bulk energetic materials so that they can be easily reused in a variety of new products. For this reason, cryocycling of excess solid energetic materials is one of the recycle/reuse strategies under study for demilitarized munitions in the Departments of Energy and Defense. These strategies seek to minimize the environmental damage associated with disposal of decommissioned energetic materials. In addition, they encourage technologies that can be used to derive economic benefit from reuse/reapplication of materials that would otherwise be treated as hazardous wastes. 45 refs., 38 figs., 7 tabs.

  5. Chapter 4: Measuring Energetics of Biological Processes

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Measurement of the energetics of biological processes is the key component in understanding the thermodynamic responses of homoeothermic animals to the environment. For these animals to achieve body temperature control, they must adapt to thermal-environmental conditions and variations caused by wea...

  6. Energetics of geostrophic adjustment in rotating flow

    NASA Astrophysics Data System (ADS)

    Juan, Fang; Rongsheng, Wu

    2002-09-01

    Energetics of geostrophic adjustment in rotating flow is examined in detail with a linear shallow water model. The initial unbalanced flow considered first falls tinder two classes. The first is similar to that adopted by Gill and is here referred to as a mass imbalance model, for the flow is initially motionless but with a sea surface displacement. The other is the same as that considered by Rossby and is referred to as a momentum imbalance model since there is only a velocity perturbation in the initial field. The significant feature of the energetics of geostrophic adjustment for the above two extreme models is that although the energy conversion ratio has a large case-to-case variability for different initial conditions, its value is bounded below by 0 and above by 1 / 2. Based on the discussion of the above extreme models, the energetics of adjustment for an arbitrary initial condition is investigated. It is found that the characteristics of the energetics of geostrophic adjustment mentioned above are also applicable to adjustment of the general unbalanced flow under the condition that the energy conversion ratio is redefined as the conversion ratio between the change of kinetic energy and potential energy of the deviational fields.

  7. Enforced Layer-by-Layer Stacking of Energetic Salts towards High-Performance Insensitive Energetic Materials.

    PubMed

    Zhang, Jiaheng; Mitchell, Lauren A; Parrish, Damon A; Shreeve, Jean'ne M

    2015-08-26

    Development of modern high-performance insensitive energetic materials is significant because of the increasing demands for both military and civilian applications. Here we propose a rapid and facile strategy called the "layer hydrogen bonding pairing approach" to organize energetic molecules via layer-by-layer stacking, which grants access to tunable energetic materials with targeted properties. Using this strategy, an unusual energetic salt, hydroxylammonium 4-amino-furazan-3-yl-tetrazol-1-olate, with good detonation performances and excellent sensitivities, was designed, synthesized, and fully characterized. In addition, the expected unique layer-by-layer structure with a high crystal packing coefficient was confirmed by single-crystal X-ray crystallography. Calculations indicate that the layer-stacking structure of this material can absorb the mechanical stimuli-induced kinetic energy by converting it to layer sliding, which results in low sensitivity. PMID:26262555

  8. Particle Engulfment and Pushing By Solidifying Interfaces

    NASA Technical Reports Server (NTRS)

    2003-01-01

    The study of particle behavior at solid/liquid interfaces (SLI s) is at the center of the Particle Engulfment and Pushing (PEP) research program. Interactions of particles with SLI s have been of interest since the 1960 s, starting with geological observations, i.e., frost heaving. Ever since, this field of research has become significant to such diverse areas as metal matrix composite materials, fabrication of superconductors, and inclusion control in steels. The PEP research effort is geared towards understanding the fundamental physics of the interaction between particles and a planar SLI. Experimental work including 1-g and mu-g experiments accompany the development of analytical and numerical models. The experimental work comprised of substantial groundwork with aluminum (Al) and zinc (Zn) matrices containing spherical zirconia particles, mu-g experiments with metallic Al matrices and the use of transparent organic metal-analogue materials. The modeling efforts have grown from the initial steady-state analytical model to dynamic models, accounting for the initial acceleration of a particle at rest by an advancing SLI. To gain a more comprehensive understanding, numerical models were developed to account for the influence of the thermal and solutal field. Current efforts are geared towards coupling the diffusive 2-D front tracking model with a fluid flow model to account for differences in the physics of interaction between 1-g and -g environments. A significant amount of this theoretical investigation has been and is being performed by co-investigators at NASA MSFC.

  9. Blind predictions of protein interfaces by docking calculations in CAPRI.

    PubMed

    Lensink, Marc F; Wodak, Shoshana J

    2010-11-15

    Reliable prediction of the amino acid residues involved in protein-protein interfaces can provide valuable insight into protein function, and inform mutagenesis studies, and drug design applications. A fast-growing number of methods are being proposed for predicting protein interfaces, using structural information, energetic criteria, or sequence conservation or by integrating multiple criteria and approaches. Overall however, their performance remains limited, especially when applied to nonobligate protein complexes, where the individual components are also stable on their own. Here, we evaluate interface predictions derived from protein-protein docking calculations. To this end we measure the overlap between the interfaces in models of protein complexes submitted by 76 participants in CAPRI (Critical Assessment of Predicted Interactions) and those of 46 observed interfaces in 20 CAPRI targets corresponding to nonobligate complexes. Our evaluation considers multiple models for each target interface, submitted by different participants, using a variety of docking methods. Although this results in a substantial variability in the prediction performance across participants and targets, clear trends emerge. Docking methods that perform best in our evaluation predict interfaces with average recall and precision levels of about 60%, for a small majority (60%) of the analyzed interfaces. These levels are significantly higher than those obtained for nonobligate complexes by most extant interface prediction methods. We find furthermore that a sizable fraction (24%) of the interfaces in models ranked as incorrect in the CAPRI assessment are actually correctly predicted (recall and precision ≥50%), and that these models contribute to 70% of the correct docking-based interface predictions overall. Our analysis proves that docking methods are much more successful in identifying interfaces than in predicting complexes, and suggests that these methods have an excellent

  10. Energetic Coupling between Ligand Binding and Dimerization in E. coli Phosphoglycerate Mutase

    PubMed Central

    Gardner, Nathan W.; Monroe, Lyman K.; Kihara, Daisuke; Park, Chiwook

    2016-01-01

    Energetic coupling of two molecular events in a protein molecule is ubiquitous in biochemical reactions mediated by proteins, such as catalysis and signal transduction. Here, we investigate energetic coupling between ligand binding and folding of a dimer using a model system that shows three-state equilibrium unfolding in an exceptional quality. The homodimeric E. coli cofactor-dependent phosphoglycerate mutase (dPGM) was found to be stabilized by ATP in a proteome-wide screen, although dPGM does not require or utilize ATP for enzymatic function. We investigated the effect of ATP on the thermodynamic stability of dPGM using equilibrium unfolding. In the absence of ATP, dPGM populates a partially unfolded, monomeric intermediate during equilibrium unfolding. However, addition of 1.0 mM ATP drastically reduces the population of the intermediate by selectively stabilizing the native dimer. Using a computational ligand docking method, we predicted ATP binds to the active site of the enzyme using the triphosphate group. By performing equilibrium unfolding and isothermal titration calorimetry with active-site variants of dPGM, we confirmed that active-site residues are involved in ATP binding. Our findings show that ATP promotes dimerization of the protein by binding to the active site, which is distal from the dimer interface. This cooperativity suggests an energetic coupling between the active-site and the dimer interface. We also propose a structural link to explain how ligand binding to the active site is energetically coupled with dimerization. PMID:26919584

  11. Media independent interface

    NASA Technical Reports Server (NTRS)

    1987-01-01

    The work done on the Media Independent Interface (MII) Interface Control Document (ICD) program is described and recommendations based on it were made. Explanations and rationale for the content of the ICD itself are presented.

  12. Laser-induced reactions in energetic materials

    NASA Astrophysics Data System (ADS)

    Ling, Ping

    1999-07-01

    Several energetic materials have been investigated under shock wave loading, heating, and photodissociation. This dissertation highlights some efforts to understand energetic material from an angle of basic physical processes and elementary chemical reactions. The first series of experiments was performed to study laser-generated shock waves in energetic materials. Shock waves are generated by pulsed laser vaporization of thin aluminum films. The rapidly expanding aluminum plasma launches a shock wave into the adjacent layer of energetic material, initiating chemical reactions. The shock velocity has been measured by a velocity interferometer. Shock pressures as high as 8 GPa have been generated in this manner. A simple model is proposed to predict laser-generated shock pressure. Several energetic materials have been studied under laser- generated shock wave. The second series of experiments was conducted to study thermal decomposition and photodissociation of energetic materials. Glycidyl azide polymer (GAP) and poly(glycidyl nitrate) (PGN) have been investigated by pulsed infrared laser pyrolysis and ultraviolet laser photolysis of thin films at 17-77 K. Reactions are monitored by transmission infrared spectroscopy. Photolysis of GAP at 266 nm shows that the initial reaction steps are elimination of molecular nitrogen with subsequent formation of imines. Thermal decomposition of GAP by infrared laser pyrolysis reveals products similar to the UV experiments after warming. Laser pyrolysis of PGN indicated that the main steps of decomposition are elimination of NO2 and CH2O from the nitrate ester functional group. It seems that the initial thermal decomposition mechanism of GAP and PGN are the same from heating rate of several degrees per second to 107 oC/s. The third series of experiments is about detailed study of photodissociation mechanism of methyl nitrate. Photodissociation of methyl nitrate isolated in an argon matrix at 17 K has been investigated by 266 nm

  13. The modular architecture of protein-protein binding interfaces.

    PubMed

    Reichmann, D; Rahat, O; Albeck, S; Meged, R; Dym, O; Schreiber, G

    2005-01-01

    Protein-protein interactions are essential for life. Yet, our understanding of the general principles governing binding is not complete. In the present study, we show that the interface between proteins is built in a modular fashion; each module is comprised of a number of closely interacting residues, with few interactions between the modules. The boundaries between modules are defined by clustering the contact map of the interface. We show that mutations in one module do not affect residues located in a neighboring module. As a result, the structural and energetic consequences of the deletion of entire modules are surprisingly small. To the contrary, within their module, mutations cause complex energetic and structural consequences. Experimentally, this phenomenon is shown on the interaction between TEM1-beta-lactamase and beta-lactamase inhibitor protein (BLIP) by using multiple-mutant analysis and x-ray crystallography. Replacing an entire module of five interface residues with Ala created a large cavity in the interface, with no effect on the detailed structure of the remaining interface. The modular architecture of binding sites, which resembles human engineering design, greatly simplifies the design of new protein interactions and provides a feasible view of how these interactions evolved. PMID:15618400

  14. Charge separation energetics at organic heterojunctions: on the role of structural and electrostatic disorder.

    PubMed

    Castet, Frédéric; D'Avino, Gabriele; Muccioli, Luca; Cornil, Jérôme; Beljonne, David

    2014-10-14

    Improving the performance of organic photovoltaic cells requires the individuation of the specific factors limiting their efficiency, by rationalizing the relationship between the chemical nature of the materials, their morphology, and the electronic processes taking place at their interface. In this contribution, we present recent theoretical advances regarding the determination of the energetics and dynamics of charge carriers at organic-organic interfaces, highlighting the role of structural and electrostatic disorder in the separation of electron-hole pairs. The influence of interfacial electrostatic interactions on charge carrier energetics is first illustrated in model aggregates. Then, we review some of our recent theoretical studies in which we combined molecular dynamics, quantum-chemical and classical micro-electrostatic methods to evaluate the energy landscape explored by the mobile charges in the vicinity of donor-acceptor interfaces with realistic morphologies. Finally, we describe the theoretical challenges that still need to be overcome in order to gain a complete overview of the charge separation processes at the molecular level. PMID:25050420

  15. Energetics at the Surface of Photoelectrodes and Its Influence on the Photoelectrochemical Properties.

    PubMed

    Thorne, James E; Li, Song; Du, Chun; Qin, Gaowu; Wang, Dunwei

    2015-10-15

    Photoelectrochemistry (PEC) holds potential as a direct route for solar energy storage. Its performance is governed by how efficiently photoexcited charges are separated and how fast the charges are transferred to the solution, both of which are highly sensitive to the photoelectrode surfaces near the electrolyte. While other aspects of a PEC system, such as the light-absorbing materials and the catalysts that facilitate charge transfer, have been extensively examined in the past, an underwhelming amount of attention has been paid to the energetics at the photoelectrode/electrolyte interface. The lack of understanding of this interface is an important reason why many photoelectrode materials fail to deliver the expected performance in harvesting solar energy in a PEC system. Using hematite (α-Fe2O3) as a material platform, we present in this Perspective how surface modifications can alter the energetics and the resulting consequences on the overall PEC performance. It has been shown that a detailed understanding of the photoelectrode/eletrolyte interfaces can contribute significantly to improving the performance of hematite, which enabled unassisted solar water splitting when combined with an amorphous Si photocathode. PMID:26722780

  16. Kinetic versus Energetic Discrimination in Biological Copying

    NASA Astrophysics Data System (ADS)

    Sartori, Pablo; Pigolotti, Simone

    2013-05-01

    We study stochastic copying schemes in which discrimination between a right and a wrong match is achieved via different kinetic barriers or different binding energies of the two matches. We demonstrate that, in single-step reactions, the two discrimination mechanisms are strictly alternative and cannot be mixed to further reduce the error fraction. Close to the lowest error limit, kinetic discrimination results in a diverging copying velocity and dissipation per copied bit. On the other hand, energetic discrimination reaches its lowest error limit in an adiabatic regime where dissipation and velocity vanish. By analyzing experimentally measured kinetic rates of two DNA polymerases, T7 and Polγ, we argue that one of them operates in the kinetic and the other in the energetic regime. Finally, we show how the two mechanisms can be combined in copying schemes implementing error correction through a proofreading pathway.

  17. Geodesic Acoustic Modes Induced by Energetic Particles

    NASA Astrophysics Data System (ADS)

    Zhou, Tianchun; Berk, Herbert

    2009-11-01

    A global geodesic acoustic mode driven by energetic particles (EGAM) has been observed in JET[1, 2] and DIII D[3, 4]. The mode is to be treated fully kinetically. The descriptions of the background electrons and ions are based on standard high and low bounce frequency expansion respectively with respect to the mode frequency. However, the energetic ions must be treated without any expansion of ratio between their bounce frequency and the mode frequency since they are comparable. Under electrostatic perturbation, we construct a quadratic form for the wave amplitude, from which an integro-differential equation is derived. In the limit where the drift orbit width is small comparison with the mode width, a differential equation for perturbed electrostatic field is obtained. Solution is obtained both analytically and numerically. We find that beam counterinjection enhances the instability of the mode. Landau damping due to thermal species is investigated.

  18. Geodesic Acoustic Modes Induced by Energetic Particles

    NASA Astrophysics Data System (ADS)

    Zhou, Tianchun; Berk, Herbert

    2009-05-01

    A global geodesic acoustic mode driven by energetic particles (EGAM) has been observed in JET[1, 2] and DIII D[3, 4]. The mode is to be treated fully kinetically. The descriptions of the background electrons and ions are based on standard high and low bounce frequency expansion respectively with respect to the mode frequency. However, the energetic ions must be treated without any expansion of ratio between their bounce frequency and the mode frequency since they are comparable. Under electrostatic perturbation, we construct a quadratic form for the wave amplitude, from which an integro-differential equation is derived. In the limit where the drift orbit width is small comparison with the mode width, a differential equation for perturbed electrostatic field is obtained. Solution is obtained both analytically and numerically. We find that beam counterinjection enhances the instability of the mode

  19. Assessment of CRBR core disruptive accident energetics

    SciTech Connect

    Theofanous, T.G.; Bell, C.R.

    1984-03-01

    The results of an independent assessment of core disruptive accident energetics for the Clinch River Breeder Reactor are presented in this document. This assessment was performed for the Nuclear Regulatory Commission under the direction of the CRBR Program Office within the Office of Nuclear Reactor Regulation. It considered in detail the accident behavior for three accident initiators that are representative of three different classes of events; unprotected loss of flow, unprotected reactivity insertion, and protected loss of heat sink. The primary system's energetics accommodation capability was realistically, yet conservatively, determined in terms of core events. This accommodation capability was found to be equivalent to an isentropic work potential for expansion to one atmosphere of 2550 MJ or a ramp rate of about 200 $/s applied to a classical two-phase disassembly.

  20. Energetic Photons From Transient Plasma Discharges

    SciTech Connect

    Robert, E.; Cachoncinlle, C.; Dozias, S.; Khacef, A.; Majeri, N.; Romero, E.; Point, S.; Viladrosa, R.; Pouvesle, J. M.

    2008-09-23

    An overview of the plasma based sources of energetic photons, ranging from UV to hard X-rays, developed in GREMI is proposed. Each source principle is shortly described and applications of these specially designed sources are documented. The possibility of producing energetic photons over a very broad wavelength domain, together with the versatility of the mode of operations allow for a very large range of applications. The matching of the photon energy, the pulse repetition rate, the short duration, of a few nanosecond, of photon pulses offer for instance unique possibility for fast dynamic study, low Z element spray characterization, X-ray fluorescence of dense targets, lithography issues, and UV VUV radiating plasma optimization.

  1. Towards Coherent Control of Energetic Material Initiation

    NASA Astrophysics Data System (ADS)

    Greenfield, M. T.; McGrane, S. D.; Scharff, R. J.; Moore, D. S.

    2009-12-01

    We present direct optical initiation (DOI) of energetic materials using coherent control of localized energy deposition. DOI requires depositing energy into the material to produce a critical size hot spot, which allows propagation of the reaction and thereby initiation. The hot spot characteristics needed for growth to initiation can be studied using quantum controlled initiation (QCI). Achieving QCI in condensed phase energetic materials requires optimally shaped ultrafast laser pulses to coherently guide the energy flow along desired paths. As a test of our quantum control capabilities we have successfully demonstrated our ability to control the reaction pathway of the chemical system stilbene. An acousto-optical modulator based pulse shaper was used at 266 nm, in a shaped pump/supercontinuum probe technique, to enhance and suppress the relative yields of the cis- to trans-stilbene isomerization. The quantum control techniques tested in the stilbene experiments are currently being used to investigate QCI of the explosive hexanitroazobenzene (HNAB).

  2. Molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, W.A.; Upadhye, R.S.; Pruneda, C.O.

    1995-07-18

    A molten salt destruction process is used to treat and destroy energetic waste materials such as high explosives, propellants, and rocket fuels. The energetic material is pre-blended with a solid or fluid diluent in safe proportions to form a fluid fuel mixture. The fuel mixture is rapidly introduced into a high temperature molten salt bath. A stream of molten salt is removed from the vessel and may be recycled as diluent. Additionally, the molten salt stream may be pumped from the reactor, circulated outside the reactor for further processing, and delivered back into the reactor or cooled and circulated to the feed delivery system to further dilute the fuel mixture entering the reactor. 4 figs.

  3. Mitochondrial network energetics in the heart

    PubMed Central

    Aon, Miguel A.; Cortassa, Sonia

    2012-01-01

    At the core of eukaryotic aerobic life, mitochondria function like “hubs” in the web of energetic and redox processes in cells. In the heart, these networks - extending beyond the complex connectivity of biochemical circuit diagrams and apparent morphology - exhibit collective dynamics spanning several spatio-temporal levels of organization, from the cell, to the tissue, and the organ. The network function of mitochondria, i.e. mitochondrial network energetics, represents an advantageous behaviour. Its coordinated action, under normal physiology, provides robustness despite failure in a few nodes, and improves energy supply toward a swiftly changing demand. Extensive diffuse loops, encompassing mitochondrialcytoplasmic reaction/transport networks, control and regulate energy supply and demand in the heart. Under severe energy crises, the network behaviour of mitochondria and associated glycolytic and other metabolic networks collapse, thereby triggering fatal arrhythmias. PMID:22899654

  4. Energetic oxygen atom material degradation studies

    NASA Technical Reports Server (NTRS)

    Caledonia, George E.; Krech, Robert H.

    1987-01-01

    As part of a study designed to test potential Shuttle surface materials for the extents of degradation and mass loss expected to be suffered in space from the velocity impacts of ambient oxygen atoms, a novel technique was developed for generation of a high flux of energetic oxygen atoms. The generation technique involves laser-induced breakdown of molecular oxygen followed by a rapid expansion of energetic oxygen atoms. The high-velocity streams developed in an evacuated hypersonic nozzle have average O-atom velocities of about 5 to 13 km/s, with an estimated total production of 10 to the 18th atoms per pulse over pulse durations of several microseconds. Results on preliminary material degradation tests conducted with this test facility have been reported by Caledonia et al. (1987). Diagrams of the experimental setup are included.

  5. Molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, William A.; Upadhye, Ravindra S.; Pruneda, Cesar O.

    1995-01-01

    A molten salt destruction process is used to treat and destroy energetic waste materials such as high explosives, propellants, and rocket fuels. The energetic material is pre-blended with a solid or fluid diluent in safe proportions to form a fluid fuel mixture. The fuel mixture is rapidly introduced into a high temperature molten salt bath. A stream of molten salt is removed from the vessel and may be recycled as diluent. Additionally, the molten salt stream may be pumped from the reactor, circulated outside the reactor for further processing, and delivered back into the reactor or cooled and circulated to the feed delivery system to further dilute the fuel mixture entering the reactor.

  6. Micromechanical modeling of heterogeneous energetic materials

    SciTech Connect

    Baer, M.R.; Kipp, M.E.; Swol, F. van

    1998-09-01

    In this work, the mesoscale processes of consolidation, deformation and reaction of shocked porous energetic materials are studied using shock physics analysis of impact on a collection of discrete HMX crystals. High resolution three-dimensional CTH simulations indicate that rapid deformation occurs at material contact points causing large amplitude fluctuations of stress states having wavelengths of the order of several particle diameters. Localization of energy produces hot-spots due to shock focusing and plastic work near grain boundaries as material flows to interstitial regions. These numerical experiments demonstrate that hot-spots are strongly influenced by multiple crystal interactions. Chemical reaction processes also produce multiple wave structures associated with particle distribution effects. This study provides new insights into the micromechanical behavior of heterogeneous energetic materials strongly suggesting that initiation and reaction of shocked heterogeneous materials involves states distinctly different than single jump state descriptions.

  7. Energetic protons from a disappearing solar filament

    NASA Technical Reports Server (NTRS)

    Kahler, S. W.; Cliver, E. W.; Cane, H. V.; Mcguire, R. E.; Stone, R. G.; Sheeley, N. R., Jr.

    1985-01-01

    A solar energetic (E 50 MeV) particle (SEP) event observed at 1 AU began about 15000 UT on 1981 December 5. This event was associated with a fast coronal mass ejection observed with the Solwind coronagraph on the P78-1 satellite. No metric type 2 or type 4 burst was observed, but a weak interplanetary type 2 burst was observed with the low frequency radio experiment on the International Sun-Earth Explorer-3 satellite. The mass ejection was associated with the eruption of a large solar quiescent filament which lay well away from any active regions. The eruption resulted in an H alpha double ribbon structure which straddled the magnetic inversion line. No impulsive phase was obvious in either the H alpha or the microwave observations. This event indicates that neither a detectable impulsive phase nor a strong or complex magnetic field is necessary for the production of energetic ions.

  8. Green colorants based on energetic azole borates.

    PubMed

    Glück, Johann; Klapötke, Thomas M; Rusan, Magdalena; Stierstorfer, Jörg

    2014-11-24

    The investigation of green-burning boron-based compounds as colorants in pyrotechnic formulations as alternative for barium nitrate, which is a hazard to health and to the environment, is reported. Metal-free and nitrogen-rich dihydrobis(5-aminotetrazolyl)borate salts and dihydrobis(1,3,4-triazolyl)borate salts have been synthesized and characterized by NMR spectroscopy, elemental analysis, mass spectrometry, and vibrational spectroscopy. Their thermal and energetic properties have been determined as well. Several pyrotechnic compositions using selected azolyl borate salts as green colorants were investigated. Formulations with ammonium dinitramide and ammonium nitrate as oxidizers and boron and magnesium as fuels were tested. The burn time, dominant wavelength, spectral purity, luminous intensity, and luminous efficiency as well as the thermal and energetic properties of these compositions were measured. PMID:25284439

  9. Anomalous energetics and dynamics of moving vortices

    NASA Astrophysics Data System (ADS)

    Radzihovsky, Leo

    Motivated by the general problem of moving topological defects in an otherwise ordered state and specifically, by the anomalous dynamics observed in vortex-antivortex annihilation and coarsening experiments in freely-suspended smectic-C films, I study the deformation, energetics and dynamics of moving vortices in an overdamped xy-model and show that their properties are significantly and qualitatively modified by the motion. Supported by NSF through DMR-1001240, MRSEC DMR-0820579, and by Simons Investigator award from Simons Foundation.

  10. Spatial, temporal, and energetic disorder in microemulsions

    NASA Astrophysics Data System (ADS)

    López-Quintela, M. A.; Losada, D.

    1988-08-01

    The relaxation of microemulsions has been studied by means of the pressure-jump relaxation technique with conductimetric detection. Kohlrausch-Williams-Watts stretched expontentials \\{φ(t)=Aexp[-(t/τ)b]\\} were obtained in which the parameter b increases with temperature from the percolation point of the microemulsions, attaining values greater than 1. These findings entail the existence of spatial, temporal, and energetic disorder associated with temperature-dependent (inhibited and enhanced) diffusion.

  11. Anomalous Energetics and Dynamics of Moving Vortices

    NASA Astrophysics Data System (ADS)

    Radzihovsky, Leo

    2015-12-01

    Motivated by the general problem of moving topological defects in an otherwise ordered state and specifically, by the anomalous dynamics observed in vortex-antivortex annihilation and coarsening experiments in freely suspended smectic-C films, I study the deformation, energetics, and dynamics of moving vortices in an overdamped X Y model and show that their properties are significantly and qualitatively modified by the motion.

  12. Energetic additive manufacturing process with feed wire

    SciTech Connect

    Harwell, Lane D.; Griffith, Michelle L.; Greene, Donald L.; Pressly, Gary A.

    2000-11-07

    A process for additive manufacture by energetic wire deposition is described. A source wire is fed into a energy beam generated melt-pool on a growth surface as the melt-pool moves over the growth surface. This process enables the rapid prototyping and manufacture of fully dense, near-net shape components, as well as cladding and welding processes. Alloys, graded materials, and other inhomogeneous materials can be grown using this process.

  13. Anomalous Energetics and Dynamics of Moving Vortices.

    PubMed

    Radzihovsky, Leo

    2015-12-11

    Motivated by the general problem of moving topological defects in an otherwise ordered state and specifically, by the anomalous dynamics observed in vortex-antivortex annihilation and coarsening experiments in freely suspended smectic-C films, I study the deformation, energetics, and dynamics of moving vortices in an overdamped XY model and show that their properties are significantly and qualitatively modified by the motion. PMID:26705656

  14. Composition of energetic particles from solar flares

    NASA Technical Reports Server (NTRS)

    Garrard, T. L.; Stone, E. C.

    1994-01-01

    We present a model for composition of heavy ions in the Solar Energetic Particles (SEP). The SEP composition in a typical large solar particle event reflects the composition of the Sun, with adjustments due to fractionation effects which depend on the First Ionization Potential (FIP) of the ion and on the ratio of ionic charge to mass (Q/M). Flare-to flare variations in composition are represented by parameters describing these fractionation effects and the distributions of these parameters are presented.

  15. Energetic and Structural Study of Diphenylpyridine Isomers

    NASA Astrophysics Data System (ADS)

    Rocha, Marisa A. A.; Gomes, Lígia R.; Low, John N.; Santos, Luís M. N. B. F.

    2009-09-01

    The energetic and structural study of three diphenylpyridine isomers is presented in detail. The three isomers, 2,6-, 2,5-, and 3,5-diphenylpyridines, were synthesized via Suzuki-Miyaura methodology based on palladium catalysis, and the crystal structures of the isomers were obtained by X-ray diffraction. The relative energetic stabilities in the condensed and gaseous phases as well as volatilities and structures of the three studied isomers were evaluated, regarding the position of the phenyl groups relative to the nitrogen atom of the pyridine ring. The temperature, standard molar enthalpies, and entropies of fusion were measured and derived by differential scanning calorimetry. The vapor pressures of the considered isomers were determined by a static apparatus based on a MKS capacitance diaphragm manometer. The standard molar enthalpies, entropies, and Gibbs energies of sublimation, at T = 298.15 K, were derived, and the phase diagram near the triple point coordinates were determined for all isomers. The standard (p° = 0.1 MPa) molar enthalpies of combustion of all crystalline isomers were determined, at T = 298.15 K, by static bomb combustion calorimetry. The standard molar enthalpies of formation, in the crystalline and gaseous phases, at T = 298.15 K, were derived. The experimental results for the energetics in the gaseous phase of the three compounds were compared and assessed with the values obtained by ab initio calculations at different levels of theory (DFT and MP2) showing that, at this level of theory, the computational methods underestimate the energetic stability, in the gaseous phase, for these molecules. In order to understand the aromaticity in the central ring of each isomer, calculations of NICS (B3LYP/6-311G++(d,p) level of theory) values on the pyridine ring were also performed.

  16. Energetic particle instabilities in fusion plasmas

    NASA Astrophysics Data System (ADS)

    Sharapov, S. E.; Alper, B.; Berk, H. L.; Borba, D. N.; Breizman, B. N.; Challis, C. D.; Classen, I. G. J.; Edlund, E. M.; Eriksson, J.; Fasoli, A.; Fredrickson, E. D.; Fu, G. Y.; Garcia-Munoz, M.; Gassner, T.; Ghantous, K.; Goloborodko, V.; Gorelenkov, N. N.; Gryaznevich, M. P.; Hacquin, S.; Heidbrink, W. W.; Hellesen, C.; Kiptily, V. G.; Kramer, G. J.; Lauber, P.; Lilley, M. K.; Lisak, M.; Nabais, F.; Nazikian, R.; Nyqvist, R.; Osakabe, M.; Perez von Thun, C.; Pinches, S. D.; Podesta, M.; Porkolab, M.; Shinohara, K.; Schoepf, K.; Todo, Y.; Toi, K.; Van Zeeland, M. A.; Voitsekhovich, I.; White, R. B.; Yavorskij, V.; TG, ITPA EP; Contributors, JET-EFDA

    2013-10-01

    Remarkable progress has been made in diagnosing energetic particle instabilities on present-day machines and in establishing a theoretical framework for describing them. This overview describes the much improved diagnostics of Alfvén instabilities and modelling tools developed world-wide, and discusses progress in interpreting the observed phenomena. A multi-machine comparison is presented giving information on the performance of both diagnostics and modelling tools for different plasma conditions outlining expectations for ITER based on our present knowledge.

  17. Water at Interfaces.

    PubMed

    Björneholm, Olle; Hansen, Martin H; Hodgson, Andrew; Liu, Li-Min; Limmer, David T; Michaelides, Angelos; Pedevilla, Philipp; Rossmeisl, Jan; Shen, Huaze; Tocci, Gabriele; Tyrode, Eric; Walz, Marie-Madeleine; Werner, Josephina; Bluhm, Hendrik

    2016-07-13

    The interfaces of neat water and aqueous solutions play a prominent role in many technological processes and in the environment. Examples of aqueous interfaces are ultrathin water films that cover most hydrophilic surfaces under ambient relative humidities, the liquid/solid interface which drives many electrochemical reactions, and the liquid/vapor interface, which governs the uptake and release of trace gases by the oceans and cloud droplets. In this article we review some of the recent experimental and theoretical advances in our knowledge of the properties of aqueous interfaces and discuss open questions and gaps in our understanding. PMID:27232062

  18. Energetic Particles Dynamics in Mercury's Magnetosphere

    NASA Technical Reports Server (NTRS)

    Walsh, Brian M.; Ryou, A.S.; Sibeck, D. G.; Alexeev, I. I.

    2013-01-01

    We investigate the drift paths of energetic particles in Mercury's magnetosphere by tracing their motion through a model magnetic field. Test particle simulations solving the full Lorentz force show a quasi-trapped energetic particle population that gradient and curvature drift around the planet via "Shabansky" orbits, passing though high latitudes in the compressed dayside by equatorial latitudes on the nightside. Due to their large gyroradii, energetic H+ and Na+ ions will typically collide with the planet or the magnetopause and will not be able to complete a full drift orbit. These simulations provide direct comparison for recent spacecraft measurements from MESSENGER. Mercury's offset dipole results in an asymmetric loss cone and therefore an asymmetry in particle precipitation with more particles precipitating in the southern hemisphere. Since the planet lacks an atmosphere, precipitating particles will collide directly with the surface of the planet. The incident charged particles can kick up neutrals from the surface and have implications for the formation of the exosphere and weathering of the surface

  19. Energetic Ion Interactions with Tearing Mode Stability

    NASA Astrophysics Data System (ADS)

    Halfmoon, Michael; Brennan, Dylan

    2015-11-01

    This study focuses on the interactions between energetic ions and pressure-driven, slow growing tearing modes in high beta tokamaks. Previous studies have shown that energetic ions interact with and affect the tearing mode stability, in a mechanism similar to those of ideal MHD instabilities and resistive wall modes. The 2/1 tearing mode is found to be damped or stabilized in the presence of energetic ions, with the most significant effects on the slow-growing resistive mode. To gain an understanding of the underlying physics of these effects, we have investigated a combination of reduced analytics and numerical simulations. In the reduced model, a high aspect ratio, step function equilibrium is investigated, where the dynamics of high-energy ions interacting with the tearing mode is implemented through integration over the pressure step. In the simulations, a series of experimentally relevant D-shaped equilibria with fixed monotonic safety factor and varying peaked pressure profiles is analyzed using the δf hybrid kinetic-mhd code in NIMROD. Results show a damping effect from the ions that is consistent between the reduced model and the simulations. The stabilizing effect is mainly due to trapped particle resonance, causing the tearing mode to have a finite frequency. US DOE Grant DE- SC0004125.

  20. Solar wind drivers of energetic electron precipitation

    NASA Astrophysics Data System (ADS)

    Asikainen, T.; Ruopsa, M.

    2016-03-01

    Disturbances of near-Earth space are predominantly driven by coronal mass ejections (CMEs) mostly originating from sunspots and high-speed solar wind streams (HSSs) emanating from coronal holes. Here we study the relative importance of CMEs and HSSs as well as slow solar wind in producing energetic electron precipitation. We use the recently corrected energetic electron measurements from the Medium Energy Proton Electron Detector instrument on board low-altitude NOAA/Polar Orbiting Environmental Satellites from 1979 to 2013. Using solar wind observations categorized into three different flow types, we study the contributions of these flows to annual electron precipitation and their efficiencies in producing precipitation. We find that HSS contribution nearly always dominates over the other flows and peaks strongly in the declining solar cycle phase. CME contribution mostly follows the sunspot cycle but is enhanced also in the declining phase. The efficiency of both HSS and CME peaks in the declining phase. We also study the dependence of electron precipitation on solar wind southward magnetic field component, speed, and density and find that the solar wind speed is the dominant factor affecting the precipitation. Since HSSs enhance the average solar wind speed in the declining phase, they also enhance the efficiency of CMEs during these times and thus have a double effect in enhancing energetic electron precipitation.

  1. Sol-Gel Manufactured Energetic Materials

    DOEpatents

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

    2005-05-17

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  2. Sol-gel manufactured energetic materials

    DOEpatents

    Simpson, Randall L.; Lee, Ronald S.; Tillotson, Thomas M.; Hrubesh, Lawrence W.; Swansiger, Rosalind W.; Fox, Glenn A.

    2003-12-23

    Sol-gel chemistry is used for the preparation of energetic materials (explosives, propellants and pyrotechnics) with improved homogeneity, and/or which can be cast to near-net shape, and/or made into precision molding powders. The sol-gel method is a synthetic chemical process where reactive monomers are mixed into a solution, polymerization occurs leading to a highly cross-linked three dimensional solid network resulting in a gel. The energetic materials can be incorporated during the formation of the solution or during the gel stage of the process. The composition, pore, and primary particle sizes, gel time, surface areas, and density may be tailored and controlled by the solution chemistry. The gel is then dried using supercritical extraction to produce a highly porous low density aerogel or by controlled slow evaporation to produce a xerogel. Applying stress during the extraction phase can result in high density materials. Thus, the sol-gel method can be used for precision detonator explosive manufacturing as well as producing precision explosives, propellants, and pyrotechnics, along with high power composite energetic materials.

  3. Highly Energetic, Low Sensitivity Aromatic Peroxy Acids.

    PubMed

    Gamage, Nipuni-Dhanesha H; Stiasny, Benedikt; Stierstorfer, Jörg; Martin, Philip D; Klapötke, Thomas M; Winter, Charles H

    2016-02-18

    The synthesis, structure, and energetic materials properties of a series of aromatic peroxy acid compounds are described. Benzene-1,3,5-tris(carboperoxoic) acid is a highly sensitive primary energetic material, with impact and friction sensitivities similar to those of triacetone triperoxide. By contrast, benzene-1,4-bis(carboperoxoic) acid, 4-nitrobenzoperoxoic acid, and 3,5-dinitrobenzoperoxoic acid are much less sensitive, with impact and friction sensitivities close to those of the secondary energetic material 2,4,6-trinitrotoluene. Additionally, the calculated detonation velocities of 3,5-dinitrobenzoperoxoic acid and 2,4,6-trinitrobenzoperoxoic acid exceed that of 2,4,6-trinitrotoluene. The solid-state structure of 3,5-dinitrobenzoperoxoic acid contains intermolecular O-H⋅⋅⋅O hydrogen bonds and numerous N⋅⋅⋅O, C⋅⋅⋅O, and O⋅⋅⋅O close contacts. These attractive lattice interactions may account for the less sensitive nature of 3,5-dinitrobenzoperoxoic acid. PMID:26743434

  4. Spin foam models as energetic causal sets

    NASA Astrophysics Data System (ADS)

    Cortês, Marina; Smolin, Lee

    2016-04-01

    Energetic causal sets are causal sets endowed by a flow of energy-momentum between causally related events. These incorporate a novel mechanism for the emergence of space-time from causal relations [M. Cortês and L. Smolin, Phys. Rev. D 90, 084007 (2014); Phys. Rev. D 90, 044035 (2014)]. Here we construct a spin foam model which is also an energetic causal set model. This model is closely related to the model introduced in parallel by Wolfgang Wieland in [Classical Quantum Gravity 32, 015016 (2015)]. What makes a spin foam model also an energetic causal set is Wieland's identification of new degrees of freedom analogous to momenta, conserved at events (or four-simplices), whose norms are not mass, but the volume of tetrahedra. This realizes the torsion constraints, which are missing in previous spin foam models, and are needed to relate the connection dynamics to those of the metric, as in general relativity. This identification makes it possible to apply the new mechanism for the emergence of space-time to a spin foam model. Our formulation also makes use of Markopoulou's causal formulation of spin foams [arXiv:gr-qc/9704013]. These are generated by evolving spin networks with dual Pachner moves. This endows the spin foam history with causal structure given by a partial ordering of the events which are dual to four-simplices.

  5. Synthesis of cubane based energetic molecules

    NASA Astrophysics Data System (ADS)

    Schmitt, Robert J.; Bottaro, Jeffrey C.; Penwell, Paul E.

    1993-02-01

    The need to pack more power with less weight into less space in tomorrow's weapons drove this program for the synthesis of super energetic materials. Our original impetus was a program based solely on the energetic properties of cubane. However, in the course of our studies here and in a parallel ONR sponsored program, we discovered and developed an alternative oxidizer to cubyl based systems, the dinitramide salts. We will report on our developments in the synthesis of new oxidizers based on cubane and dinitramide. In this research, we developed new methods for the functionalization of the cubane nucleus and synthesized new energetic cubanes. We developed several new routes for the synthesis of the dinitramino group. Our work on the preparation of the dinitramide group led to the synthesis of the dinitramide ion, and as a consequence ammonium dinitramide. We have in turn used this synthesis to prepare cubane ammonium dinitramide salts. We synthesized cubane-1,4bis-(ammonium dinitramide) and cubane1,2,4,7-tetrakis(ammonium dinitramide) as well as several other dinitramide salts.

  6. Effect of pressure vents on the fast cookoff of energetic materials.

    SciTech Connect

    Cooper, Marcia A.; Oliver, Michael S.; Erikson, William Wilding

    2013-10-01

    The effect of vents on the fast cookoff of energetic materials is studied through experimental modifications to the confinement vessel of the Radiant Heat Fast Cookoff Apparatus. Two venting schemes were investigated: 1) machined grooves at the EM-cover plate interface; 2) radial distribution of holes in PEEK confiner. EM materials of PBXN-109 and PBX 9502 were tested. Challenges with the experimental apparatus and EM materials were identified such that studying the effect of vents as an independent parameter was not realized. The experimental methods, data and post-test observations are presented and discussed.

  7. Satellite observations and instrumentation for imaging energetic neutral atoms

    NASA Astrophysics Data System (ADS)

    Voss, Henry D.; Mobilia, Joseph; Collin, Henry L.; Imhof, William L.

    1992-06-01

    Direct measurements of energetic neutral atoms (ENA) and ions have been obtained with the cooled solid state detectors on the low altitude (220 km) three-axis stabilized S81-1/SEEP satellite and on the spinning 400 km X 5.5 Re CRRES satellite. During magnetic storms ENA and ion precipitation (E > 10 keV) is evident over the equatorial region from the LE spectrometer on the SEEP payload (ONR 804). The spinning motion of the CRRES satellite allows for simple mapping of the magnetosphere using the IMS-HI (ONR 307-8-3) neutral spectrometer. This instrument covers the energy range from 20 to 1000 keV and uses a 7 kG magnetic field to screen out protons less than about 50 MeV. ENA and the resulting low- altitude ion belt have been observed with the IMS-HI instrument. Recently, an advanced spectrometer (SEPS) has been developed to image electrons, ions, and neutrals on the despun platform of the POLAR satellite (approximately 1.8 X 9 Re) for launch in the mid-90's as part of the NASA ISTP/GGS program. For this instrument a 256 element solid state pixel array has been developed that interfaces to 256 amplifier strings using a custom 16 channel microcircuit chip. In addition, this instrument features a motor controlled iris wheel and anticoincidence electronics.

  8. Energetic basis for the molecular-scale organization of bone.

    PubMed

    Tao, Jinhui; Battle, Keith C; Pan, Haihua; Salter, E Alan; Chien, Yung-Ching; Wierzbicki, Andrzej; De Yoreo, James J

    2015-01-13

    The remarkable properties of bone derive from a highly organized arrangement of coaligned nanometer-scale apatite platelets within a fibrillar collagen matrix. The origin of this arrangement is poorly understood and the crystal structures of hydroxyapatite (HAP) and the nonmineralized collagen fibrils alone do not provide an explanation. Moreover, little is known about collagen-apatite interaction energies, which should strongly influence both the molecular-scale organization and the resulting mechanical properties of the composite. We investigated collagen-mineral interactions by combining dynamic force spectroscopy (DFS) measurements of binding energies with molecular dynamics (MD) simulations of binding and atomic force microscopy (AFM) observations of collagen adsorption on single crystals of calcium phosphate for four mineral phases of potential importance in bone formation. In all cases, we observe a strong preferential orientation of collagen binding, but comparison between the observed orientations and transmission electron microscopy (TEM) analyses of native tissues shows that only calcium-deficient apatite (CDAP) provides an interface with collagen that is consistent with both. MD simulations predict preferred collagen orientations that agree with observations, and results from both MD and DFS reveal large values for the binding energy due to multiple binding sites. These findings reconcile apparent contradictions inherent in a hydroxyapatite or carbonated apatite (CAP) model of bone mineral and provide an energetic rationale for the molecular-scale organization of bone. PMID:25540415

  9. Energetic basis for the molecular-scale organization of bone

    PubMed Central

    Tao, Jinhui; Battle, Keith C.; Pan, Haihua; Salter, E. Alan; Chien, Yung-Ching; Wierzbicki, Andrzej; De Yoreo, James J.

    2015-01-01

    The remarkable properties of bone derive from a highly organized arrangement of coaligned nanometer-scale apatite platelets within a fibrillar collagen matrix. The origin of this arrangement is poorly understood and the crystal structures of hydroxyapatite (HAP) and the nonmineralized collagen fibrils alone do not provide an explanation. Moreover, little is known about collagen–apatite interaction energies, which should strongly influence both the molecular-scale organization and the resulting mechanical properties of the composite. We investigated collagen–mineral interactions by combining dynamic force spectroscopy (DFS) measurements of binding energies with molecular dynamics (MD) simulations of binding and atomic force microscopy (AFM) observations of collagen adsorption on single crystals of calcium phosphate for four mineral phases of potential importance in bone formation. In all cases, we observe a strong preferential orientation of collagen binding, but comparison between the observed orientations and transmission electron microscopy (TEM) analyses of native tissues shows that only calcium-deficient apatite (CDAP) provides an interface with collagen that is consistent with both. MD simulations predict preferred collagen orientations that agree with observations, and results from both MD and DFS reveal large values for the binding energy due to multiple binding sites. These findings reconcile apparent contradictions inherent in a hydroxyapatite or carbonated apatite (CAP) model of bone mineral and provide an energetic rationale for the molecular-scale organization of bone. PMID:25540415

  10. Mammalian energetics. Instantaneous energetics of puma kills reveal advantage of felid sneak attacks.

    PubMed

    Williams, Terrie M; Wolfe, Lisa; Davis, Tracy; Kendall, Traci; Richter, Beau; Wang, Yiwei; Bryce, Caleb; Elkaim, Gabriel Hugh; Wilmers, Christopher C

    2014-10-01

    Pumas (Puma concolor) live in diverse, often rugged, complex habitats. The energy they expend for hunting must account for this complexity but is difficult to measure for this and other large, cryptic carnivores. We developed and deployed a physiological SMART (species movement, acceleration, and radio tracking) collar that used accelerometry to continuously monitor energetics, movements, and behavior of free-ranging pumas. This felid species displayed marked individuality in predatory activities, ranging from low-cost sit-and-wait behaviors to constant movements with energetic costs averaging 2.3 times those predicted for running mammals. Pumas reduce these costs by remaining cryptic and precisely matching maximum pouncing force (overall dynamic body acceleration = 5.3 to 16.1g) to prey size. Such instantaneous energetics help to explain why most felids stalk and pounce, and their analysis represents a powerful approach for accurately forecasting resource demands required for survival by large, mobile predators. PMID:25278610

  11. Mammalian energetics. Flexible energetics of cheetah hunting strategies provide resistance against kleptoparasitism.

    PubMed

    Scantlebury, David M; Mills, Michael G L; Wilson, Rory P; Wilson, John W; Mills, Margaret E J; Durant, Sarah M; Bennett, Nigel C; Bradford, Peter; Marks, Nikki J; Speakman, John R

    2014-10-01

    Population viability is driven by individual survival, which in turn depends on individuals balancing energy budgets. As carnivores may function close to maximum sustained power outputs, decreased food availability or increased activity may render some populations energetically vulnerable. Prey theft may compromise energetic budgets of mesopredators, such as cheetahs and wild dogs, which are susceptible to competition from larger carnivores. We show that daily energy expenditure (DEE) of cheetahs was similar to size-based predictions and positively related to distance traveled. Theft at 25% only requires cheetahs to hunt for an extra 1.1 hour per day, increasing DEE by just 12%. Therefore, not all mesopredators are energetically constrained by direct competition. Other factors that increase DEE, such as those that increase travel, may be more important for population viability. PMID:25278609

  12. Microconical interface fitting and interface grasping tool

    NASA Technical Reports Server (NTRS)

    Gernhardt, Michael L. (Inventor); Wightman, William D. (Inventor); Johnston, Alistair P. (Inventor)

    1994-01-01

    A small and light weight microconical interface fitting may be attached to the surface of a space vehicle or equipment to provide an attachment device for an astronaut or robot to capture the space vehicle or equipment. The microconical interface fitting of the present invention has an axisymmetrical conical body having a base portion with a torque reaction surface for preventing rotation of the interface grasping tool; a cavitated, sunken or hollowed out intermediate locking portion which has a cavity shaped for receiving the latches of the grasping tool and an upper guiding portion for guiding the grasping tool into axial alignment with the microconical interface fitting. The capture is accomplished with an interface grasping tool. The grasping tool comprises an outer sleeve with a handle attached, an inner sleeve which may be raised and lowered within the outer sleeve with a plurality of latches supported at the lower end and a cam to raise and lower the inner sleeve. When the inner sleeve is at its lowest position, the latches form the largest diameter opening for surrounding the microconical fitting and the latches form the smallest diameter or a locking, grasping position when raised to the highest position within the outer sleeve. The inner sleeve may be at an intermediate, capture position which permits the latches to be biased outwardly when contacting the microconical fitting under very low forces to grasp the fitting and permits capture (soft docking) without exact alignment of the fitting and the tool.

  13. Turbomachine Interface Sealing

    NASA Technical Reports Server (NTRS)

    Hendricks, Robert C.; Chupp, Raymond E.; Lattime, Scott B.; Steinetz, Bruce M.

    2005-01-01

    Sealing interfaces and coatings, like lubricants, are sacrificial, giving up their integrity for the benefit of the component. Clearance control is a major issue in power systems turbomachine design and operational life. Sealing becomes the most cost-effective way to enhance system performance. Coatings, films, and combined use of both metals and ceramics play a major role in maintaining interface clearances in turbomachine sealing and component life. This paper focuses on conventional and innovative materials and design practices for sealing interfaces.

  14. The kinked interface crack

    NASA Astrophysics Data System (ADS)

    Heitzer, Joerg

    1992-05-01

    Two methods for the numerical solution of the integral equation describing the kinked interface crack, one proposed by Erdogan et al. (1973) and the other by Theokaris and Iokimidis (1979), are examined. The method of Erdogan et al. is then used to solve the equation in order to determine the kinking angle of the interface crack. Results are presented for two material combinations, aluminum/epoxy and glass/ceramic, under uniaxial tension in the direction normal to the interface.

  15. Persistent interface fluid syndrome.

    PubMed

    Hoffman, Richard S; Fine, I Howard; Packer, Mark

    2008-08-01

    We present an unusual case of persistent interface fluid that would not resolve despite normal intraocular pressure and corneal endothelial replacement with Descemet-stripping endothelial keratoplasty. Dissection, elevation, and repositioning of the laser in situ keratomileusis flap were required to resolve the interface fluid. Circumferential corneal graft-host margin scar formation acting as a mechanical strut may have been the cause of the intractable interface fluid. PMID:18655997

  16. Popeye Project: ROV interface

    SciTech Connect

    Scates, C.R.; Hernandez, D.A.; Hickok, D.D.

    1996-12-31

    This paper discusses the Remote Operated Vehicle (ROV) interface with the Popeye Project Subsea System. It describes the ROV-related plans, design philosophies, intervention tasks, tooling/equipment requirements, testing activities, and offshore installation experiences. Early identification and continuous consideration of the ROV interfaces significantly improved the overall efficiency of equipment designs and offshore operations. The Popeye Project helped advance the technology and standardization of ROV interfaces for deep water subsea production systems.

  17. Multimodal neuroelectric interface development

    NASA Technical Reports Server (NTRS)

    Trejo, Leonard J.; Wheeler, Kevin R.; Jorgensen, Charles C.; Rosipal, Roman; Clanton, Sam T.; Matthews, Bryan; Hibbs, Andrew D.; Matthews, Robert; Krupka, Michael

    2003-01-01

    We are developing electromyographic and electroencephalographic methods, which draw control signals for human-computer interfaces from the human nervous system. We have made progress in four areas: 1) real-time pattern recognition algorithms for decoding sequences of forearm muscle activity associated with control gestures; 2) signal-processing strategies for computer interfaces using electroencephalogram (EEG) signals; 3) a flexible computation framework for neuroelectric interface research; and d) noncontact sensors, which measure electromyogram or EEG signals without resistive contact to the body.

  18. TSF Interface Package

    SciTech Connect

    2004-03-01

    A collection of packages of classes for interfacing to sparse and dense matrices, vectors and graphs, and to linear operators. TSF (via TSFCore, TSFCoreUtils and TSFExtended) provides the application programmer interface to any number of solvers, linear algebra libraries and preconditioner packages, providing also a sophisticated technique for combining multiple packages to solve a single problem. TSF provides a collection of abstract base classes that define the interfaces to abstract vector, matrix and linear soerator objects. By using abstract interfaces, users of TSF are not limiting themselves to any one concrete library and can in fact easily combine multiple libraries to solve a single problem.

  19. Energetic Ion Interactions with the Galilean Satellites

    NASA Technical Reports Server (NTRS)

    Cooper, John F.

    2000-01-01

    The principal research tasks of this investigation are: (1) specification of the energetic (keV to MeV) ion environments upstream of the four Galilean satellites and (2) data analysis and numerical modeling of observed ion interactions with the satellites. Differential flux spectra are being compiled for the most abundant ions (protons, oxygen, and sulfur) from measurements at 20 keV to 100 MeV total energy by the Energetic Particle Detector (EPD) experiment and at higher ion energies by the Heavy Ion Counter (HIC) experiment. Runge-Kutta and other numerical techniques are used to propagate test particles sampled from the measured upstream spectra to the satellite surface or spacecraft through the local magnetic and corotational electric field environment of each satellite. Modeling of spatial variations in directional flux anisotropies measured during each close flyby provides limits on atomic charge states for heavy (O, S) magnetospheric ions and on internal or induced magnetic fields of the satellites. Validation of models for magnetic and electric field configurations then allows computation of rates for ion implantation, sputtering, and energy deposition into the satellite surfaces for further modeling of observable chemical changes induced by irradiation. Our ongoing work on production of oxidants and other secondary species by ice irradiation on Europa's surface has significant applications, already acknowledged in current literature, to astrobiological evolution. Finally, the work will improve understanding of energetic ion sources and sinks at the satellite orbits for improved modeling of magnetospheric transport processes. The scope of the research effort mainly includes data from the primary Galileo mission (1995-1997) but may also include some later data where directly relevant (e.g., comparison of J0 and I27 data for Io) to the primary mission objectives. Funding for this contract also includes partial support for our related education and public

  20. Solar energetic particle transport in the heliosphere

    NASA Astrophysics Data System (ADS)

    Pei, Chunsheng

    2007-08-01

    The transport of solar energetic particles (SEPs) in the inner heliosphere is a very important issue which can affect our daily life. For example, large SEP events can lead to the failure of power grids, interrupt communications, and may participate in global climate change. The SEPS also can harm humans in space and destroy the instruments on board spacecraft. Studying the transport of SEPs also helps us understand remote regions of space which are not visible to us because there are not enough photons in those places. The interplanetary magnetic field is the medium in which solar energetic particles travel. The Parker Model of the solar wind and its successor, the Weber and Davis model, have been the dominant models of the solar wind and the interplanetary magnetic field since 1960s. In this thesis, I have reviewed these models and applied an important correction to the Weber and Davis model Various solar wind models and their limitations are presented. Different models can affect the calculation of magnetic field direction at 1 AU by as much as about 30%. Analysis of the onset of SEP events could be used to infer the release time of solar energetic particles and to differentiate between models of particle acceleration near the Sun. It is demonstrated that because of the nature of the stochastic heliospheric magnetic field, the path length measured along the line of force can be shorter than that of the nominal Parker spiral. These results help to explain recent observations. A two dimensional model and a fully three dimensional numerical model for the transport of SEPs has been developed based on Parker's transport equation for the first time. ''Reservoir'' phenomenon, which means the inner heliosphere works like a reservoir for SEPs during large SEP events, and multi-spacecraft observation of peak intensities are explained by this numerical model.

  1. Synthesis of a new energetic nitrate ester

    SciTech Connect

    Chavez, David E

    2008-01-01

    Nitrate esters have been known as useful energetic materials since the discovery of nitroglycerin by Ascanio Sobrero in 1846. The development of methods to increase the safety and utility of nitroglycerin by Alfred Nobel led to the revolutionary improvement in the utility of nitroglycerin in explosive applications in the form of dynamite. Since then, many nitrate esters have been prepared and incorporated into military applications such as double-based propellants, detonators and as energetic plasticizers. Nitrate esters have also been shown to have vasodilatory effects in humans and thus have been studied and used for treatments of ailments such as angina. The mechanism of the biological response towards nitrate esters has been elucidated recently. Interestingly, many of the nitrate esters used for military purposes are liquids (ethylene glycol dinitrate, propylene glycol dinitrate, etc). Pentaerythritol tetranitrate (PETN) is one of the only solid nitrate esters, besides nitrocellulose, that is used in any application. Unfortunately, PETN melting point is above 100 {sup o}C, and thus must be pressed as a solid for detonator applications. A more practical material would be a melt-castable explosive, for potential simplification of manufacturing processes. Herein we describe the synthesis of a new energetic nitrate ester (1) that is a solid at ambient temperatures, has a melting point of 85-86 {sup o}C and has the highest density of any known nitrate ester composed only of carbon, hydrogen, nitrogen and oxygen. We also describe the chemical, thermal and sensitivity properties of 1 as well as some preliminary explosive performance data.

  2. Solar Energetic Particle Studies with PAMELA

    NASA Technical Reports Server (NTRS)

    Bravar, U.; Christian, E. R.; deNolfo, Georgia; Ryan, J. M.; Stochaj, S.

    2011-01-01

    The origin of the high-energy solar energetic particles (SEPs) may conceivably be found in composition signatures that reflect the elemental abundances of the low corona and chromosphere vs. the high corona and solar wind. The presence of secondaries, such as neutrons and positrons, could indicate a low coronal origin of these particles. Velocity dispersion of different species and over a wide energy range can be used to determine energetic particle release times at the Sun. Together with multi-wavelength imaging, in- situ observations of a variety of species, and coverage over a wide energy range provide a critical tool in identifying the origin of SEPs, understanding the evolution of these events within the context of solar active regions, and constraining the acceleration mechanisms at play. The Payload for Antimatter Matter Exploration and Light-nuclei Astrophysics (PAMELA)instrument, successfully launched in 2006 and expected to remain operational until at least the beginning of 2012, measures energetic particles in the same energy range as ground-based neutron monitors, and lower energies as well. It thus bridges the gap between low energy in-situ observations and ground-based Ground Level Enhancements (GLE) observations. It can measure the charge (up to Z=6) and atomic number of the detected particles, and it can identify and measure positrons and detect neutrons-an unprecedented array of data channels that we can bring to bear on the origin of high-energy SEPs. We present prelimiary results on the for the 2006 December 13 solar flare and GLE and the 2011 March 21 solar flare, both registering proton and helium enhancements in PAMELA. Together with multi- spacecraft contextual data and modeling, we discuss the PAMELA results in the context of the different acceleration mechanisms at play.

  3. Dose spectra from energetic particles and neutrons

    NASA Astrophysics Data System (ADS)

    Schwadron, Nathan; Bancroft, Chris; Bloser, Peter; Legere, Jason; Ryan, James; Smith, Sonya; Spence, Harlan; Mazur, Joe; Zeitlin, Cary

    2013-10-01

    spectra from energetic particles and neutrons (DoSEN) are an early-stage space technology research project that combines two advanced complementary radiation detection concepts with fundamental advantages over traditional dosimetry. DoSEN measures not only the energy but also the charge distribution (including neutrons) of energetic particles that affect human (and robotic) health in a way not presently possible with current dosimeters. For heavy ions and protons, DoSEN provides a direct measurement of the lineal energy transfer (LET) spectra behind shielding material. For LET measurements, DoSEN contains stacks of thin-thick Si detectors similar in design to those used for the Cosmic Ray Telescope for the Effects of Radiation. With LET spectra, we can now directly break down the observed spectrum of radiation into its constituent heavy-ion components and through biologically based quality factors that provide not only doses and dose rates but also dose equivalents, associated rates, and even organ doses. DoSEN also measures neutrons from 10 to 100 MeV, which requires enough sensitive mass to fully absorb recoil particles that the neutrons produce. DoSEN develops the new concept of combining these independent measurements and using the coincidence of LET measurements and neutron detection to significantly reduce backgrounds in each measurement. The background suppression through the use of coincidence allows for significant reductions in size, mass, and power needed to provide measurements of dose, neutron dose, dose equivalents, LET spectra, and organ doses. Thus, we introduce the DoSEN concept: a promising low-mass instrument that detects the full spectrum of energetic particles, heavy ions, and neutrons to determine biological impact of radiation in space.

  4. An Ag(I) energetic metal-organic framework assembled with the energetic combination of furazan and tetrazole: synthesis, structure and energetic performance.

    PubMed

    Qu, Xiao-Ni; Zhang, Sheng; Wang, Bo-Zhou; Yang, Qi; Han, Jing; Wei, Qing; Xie, Gang; Chen, San-Ping

    2016-04-28

    A novel Ag(I) energetic MOF [Ag16(BTFOF)9]n·[2(NH4)]n () assembled with Ag(iI ions and a furazan derivative, 4,4'-oxybis[3,3'-(1H-5-tetrazol)]furazan (H2BTFOF) was successfully synthesized and structurally characterized, featuring a three-dimensional porous structure incorporating ammonium cations. The thermal stability and energetic properties were determined, revealing that the 3D energetic MOF had an outstanding insensitivity (IS > 40 J), an ultrahigh detonation pressure (P) of 65.29 GPa and a detonation velocity (D) of 11.81 km cm(-3). In addition, the self-accelerating decomposition temperature (TSADT) and the critical temperature of thermal explosion (Tb) are also discussed in detail. The finding exemplifies that the assembly strategy plays a decisive role in the density and energetic properties of MOF-based energetic materials. PMID:26987079

  5. Energetics of hydrogen storage in organolithium nanostructures

    SciTech Connect

    Namilae, Sirish; Fuentes-Cabrera, Miguel A; Radhakrishnan, Balasubramaniam; Gorti, Sarma B; Nicholson, Don M

    2007-01-01

    Ab-initio calculations based on the second order Moller-Plesset perturbation theory (MP2) were used to investigate the interaction of molecular hydrogen with alkyl lithium organometallic compounds. It is found that lithium in organolithium structures attracts two hydrogen molecules with a binding energy of about 0.14 eV. The calculations also show that organolithium compounds bind strongly with graphitic nanostructures. Therefore, these carbon based nanostructures functionalized with organolithium compounds can be effectively used for storage of molecular hydrogen. Energetics and mechanisms for achieving high weight percent hydrogen storage in organolithium based nanostructures are discussed.

  6. Energetic solar particle behaviour in the magnetosphere

    NASA Technical Reports Server (NTRS)

    Scholer, M.

    1979-01-01

    The behavior of energetic solar flare particles in the magnetosphere is discussed. In the absence of magnetospheric motion, the problem of particle transport can be treated as simple propagation of charged particles in a stationary magnetic field configuration using, for instance, trajectory calculations in model fields. This single particle approach is the basis for the determination of intensity and anisotropy structures over the polar caps and in the geomagnetic tail from different interplanetary conditions. Particle transport on closed field lines is in addition strongly affected by resonant interaction processes as pitch angle scattering and radial diffusion.

  7. Dynamics and structure of energetic displacement cascades

    SciTech Connect

    Averback, R.S.; Diaz de la Rubia, T.; Benedek, R.

    1987-12-01

    This paper summarizes recent progress in the understanding of energetic displacement cascades and the primary state of damage in metals. On the theoretical side, the availability of supercomputers has greatly enhanced our ability to simulate cascades by molecular dynamics. Recent application of this simulation technique to Cu and Ni provides new insight into the dynamics of cascade processes. On the experimental side, new data on ion beam mixing and in situ electron microscopy studies of ion damage at low temperatures reveal the role of the thermodynamic properties of the material on cascade dynamics and structure. 38 refs., 9 figs.

  8. Energetics of core formation - A correction.

    NASA Technical Reports Server (NTRS)

    Flasar, F. M.; Birch, F.

    1973-01-01

    An error has recently been discovered in the calculation of the temperature rise conducted by Birch (1965) in connection with a determination of the release of gravitational energy accompanying a rapid formation of the earth's core from an initially undifferentiated state. A revised calculation of the energetic relations involved in the core formation is, therefore, presented. The radii of the initial undifferentiated cold earth and of the fictitious undifferentiated warm earth are both found to be slightly smaller than that of the present differentiated warm earth.

  9. Nonlinear electromagnetic interactions in energetic materials

    DOE PAGESBeta

    Wood, Mitchell Anthony; Dalvit, Diego Alejandro; Moore, David Steven

    2016-01-12

    We study the scattering of electromagnetic waves in anisotropic energetic materials. Nonlinear light-matter interactions in molecular crystals result in frequency-conversion and polarization changes. Applied electromagnetic fields of moderate intensity can induce these nonlinear effects without triggering chemical decomposition, offering a mechanism for the nonionizing identification of explosives. We use molecular-dynamics simulations to compute such two-dimensional THz spectra for planar slabs made of pentaerythritol tetranitrate and ammonium nitrate. Finally, we discuss third-harmonic generation and polarization-conversion processes in such materials. These observed far-field spectral features of the reflected or transmitted light may serve as an alternative tool for standoff explosive detection.

  10. Semiconductor bridge, SCB, ignition of energetic materials

    SciTech Connect

    Bickes, R.W.; Grubelich, M.D.; Harris, S.M.; Merson, J.A.; Tarbell, W.W.

    1997-04-01

    Sandia National Laboratories` semiconductor bridge, SCB, is now being used for the ignition or initiation of a wide variety of exeoergic materials. Applications of this new technology arose because of a need at the system level to provide light weight, small volume and low energy explosive assemblies. Conventional bridgewire devices could not meet the stringent size, weight and energy requirements of our customers. We present an overview of SCB technology and the ignition characteristics for a number of energetic materials including primary and secondary explosives, pyrotechnics, thermites and intermetallics. We provide examples of systems designed to meet the modern requirements that sophisticated systems must satisfy in today`s market environments.

  11. Nanostructured energetic materials using sol-gel methodologies

    SciTech Connect

    Tillotson, T M; Simpson, R L; Hrubesh, L W; Gash, A E; Thomas, I M; Poco, J F

    2000-09-27

    The fundamental differences between energetic composites and energetic materials made from a monomolecular approach are the energy density attainable and the energy release rates. For the past 4 years, we have been exploiting sol-gel chemistry as a route to process energetic materials on a microstructural scale. At the last ISA conference, we described four specific sol-gel approaches to fabricating energetic materials and presented our early work and results on two methods - solution crystallization and powder addition. Here, we detail our work on a third approach, energetic nanocomposites. Synthesis of thermitic types of energetic nanocomposites are presented using transition and main group metal-oxide skeletons. Results on characterization of structure and performance will also be given.

  12. Characterization of energetic and non-energetic polymers for laser ablation propulsion applications

    NASA Astrophysics Data System (ADS)

    Paturi, Prem Kiran; Chelikani, Leela; Billa, Narasimha Rao; Guthikonda, Nagaraju; Jana, Tushar; Acrhem Team; School Of Chemistry Team

    2015-06-01

    Energetic Polymers, considered to be cleaner, environmental friendly materials are one of the primary candidates for future plasma thrusters. For e.g., energetic hydroxyl terminated polybutadiene (HTPB) is being used as a binder for high-performance composite propellants. Understanding the conversion of optical energy to kinetic energy is essential in evaluating these materials as thrusters. Spatio-temporal evolution of laser ablative (LA) and blow-off (BO) shock waves (SW) during laser excitation provide a valuable insight into the energy release of the polymers. LASW and LBOSW during 7 ns laser pulse (532 nm, 10Hz) interaction with ~ 200 micron thick HTPB and its variants with energetic additives taken in the form of a sheet were studied simultaneously using defocused shadowgraphic imaging over 0.2 - 30 μs time scales. The results were compared with non-energetic polyvinyl chloride (PVC) under same experimental conditions. The SW was observed to propagate faster through the HTPB variant compared to HTPB. Appearance of LBOSW at different time scales for the polymers revealed the shock propagation characteristics through the polymers. The work is supported by Defence Research and Developement Organization, India through Grants-in-Aid Program.

  13. Energetic ion loss diagnostic for the Wendelstein 7-AS stellarator

    SciTech Connect

    Darrow, D. S.; Werner, A.; Weller, A.

    2001-07-01

    A diagnostic to measure the loss of energetic ions from the Wendelstein 7-AS (W7-AS) stellarator has been built. It is capable of measuring losses of both neutral beam ions and energetic ions arising from ion cyclotron resonant heating. The probe can measure losses of both clockwise and counterclockwise-going energetic ions simultaneously, and accepts a wide range of pitch angles in both directions. Initial measurements by the diagnostic are reported.

  14. Energetic Ion Loss Diagnostic for the Wendelstein 7-AS Stellarator

    SciTech Connect

    D. S. Darrow; A. Werner; A. Weller

    2000-12-07

    A diagnostic to measure the loss of energetic ions from the Wendelstein 7-AS (W7-AS) stellarator has been built. It is capable of measuring losses of both neutral beam ions and energetic ions arising from ion cyclotron resonant heating. The probe can measure losses of both clockwise and counterclockwise-going energetic ions simultaneously, and accepts a wide range of pitch angles in both directions. Initial measurements by the diagnostic are reported.

  15. Local order of liquid water at the electrochemical interface

    NASA Astrophysics Data System (ADS)

    Fernandez Serra, Marivi; Pedroza, Luana

    2014-03-01

    Understanding the aqueous electrochemical interface in an atomic level is of fundamental importance in many areas, such as catalysis and materials science. In this work we analyze in detail the structural, dynamic and energetic properties of liquid-water interacting with (111) Pd and Au surfaces at ambient temperature, using first principles molecular dynamics, with and without van der Waals interactions. We show that, contrary to what was found when studying ice-like water layers, van der Waals interactions play a critical role in modeling the aqueous/electrode interface. We show the differences in the ordering of water at the interface for Pd and Au, and we explain the change in work functions of these two metals in aqueous solution. DOE Early Career Award No. DE-SC0003871.

  16. Energetic Constraints on Species Coexistence in Birds

    PubMed Central

    Pigot, Alexander L.

    2016-01-01

    The association between species richness and ecosystem energy availability is one of the major geographic trends in biodiversity. It is often explained in terms of energetic constraints, such that coexistence among competing species is limited in low productivity environments. However, it has proven challenging to reject alternative views, including the null hypothesis that species richness has simply had more time to accumulate in productive regions, and thus the role of energetic constraints in limiting coexistence remains largely unknown. We use the phylogenetic relationships and geographic ranges of sister species (pairs of lineages who are each other’s closest extant relatives) to examine the association between energy availability and coexistence across an entire vertebrate class (Aves). We show that the incidence of coexistence among sister species increases with overall species richness and is elevated in more productive ecosystems, even when accounting for differences in the evolutionary time available for coexistence to occur. Our results indicate that energy availability promotes species coexistence in closely related lineages, providing a key step toward a more mechanistic understanding of the productivity–richness relationship underlying global gradients in biodiversity. PMID:26974194

  17. Temperature dependent terahertz properties of energetic materials

    NASA Astrophysics Data System (ADS)

    Azad, Abul K.; Whitley, Von H.; Brown, Kathryn E.; Ahmed, Towfiq; Sorensen, Christian J.; Moore, David S.

    2016-04-01

    Reliable detection of energetic materials is still a formidable challenge which requires further investigation. The remote standoff detection of explosives using molecular fingerprints in the terahertz spectral range has been an evolving research area for the past two decades. Despite many efforts, identification of a particular explosive remains difficult as the spectral fingerprints often shift due to the working conditions of the sample such as temperature, crystal orientation, presence of binders, etc. In this work, we investigate the vibrational spectrum of energetic materials including RDX, PETN, AN, and 1,3-DNB diluted in a low loss PTFE host medium using terahertz time domain spectroscopy (THz-TDS) at cryogenic temperatures. The measured absorptions of these materials show spectral shifts of their characteristic peaks while changing their operating temperature from 300 to 7.5 K. We have developed a theoretical model based on first principles methods, which is able to predict most of the measured modes in 1, 3-DNB between 0.3 to 2.50 THz. These findings may further improve the security screening of explosives.

  18. Energetics of water permeation through fullerene membrane

    PubMed Central

    Isobe, Hiroyuki; Homma, Tatsuya; Nakamura, Eiichi

    2007-01-01

    Lipid bilayer membranes are important as fundamental structures in biology and possess characteristic water-permeability, stability, and mechanical properties. Water permeation through a lipid bilayer membrane occurs readily, and more readily at higher temperature, which is largely due to an enthalpy cost of the liquid-to-gas phase transition of water. A fullerene bilayer membrane formed by dissolution of a water-soluble fullerene, Ph5C60K, has now been shown to possess properties entirely different from those of the lipid membranes. The fullerene membrane is several orders of magnitude less permeable to water than a lipid membrane, and the permeability decreases at higher temperature. Water permeation is burdened by a very large entropy loss and may be favored slightly by an enthalpy gain, which is contrary to the energetics observed for the lipid membrane. We ascribe this energetics to favorable interactions of water molecules to the surface of the fullerene molecules as they pass through the clefts of the rigid fullerene bilayer. The findings provide possibilities of membrane design in science and technology. PMID:17846427

  19. Structure of an energetic narrow discrete arc

    NASA Technical Reports Server (NTRS)

    Mcfadden, J. P.; Carlson, C. W.; Boehm, M. H.

    1990-01-01

    Particle distributions, waves, dc electric fields, and magnetic fields were measured by two sounding rockets at altitudes of 950 and 430 km through an energetic (greater than 5 keV) narrow (about 10 km) stable discrete arc. Although the payloads' magnetic footprints were separated by only 50 km, differences in the arc's structure were observed including the spatial width, peak energy, and characteristic spectra. The energetic electron precipitation included both slowly varying isotropic fluxes that formed an inverted-V energy-time signature and rapidly varying field-aligned fluxes at or below the isotropic spectral peak. The isotropic precipitation had a flux discontinuity inside the arc indicating the arc was present on a boundary between two different magnetospheric plasmas. Dispersive and nondispersive bursts of field-aligned electrons were measured throughout the arc, appearing over broad energy ranges or as monoenergetic beams. Dispersive bursts gave variable source distances less than 8000 km. Plateauing of some of the most intense bursts suggests that waves stabilized these electrons. During the lower altitude arc crossing, the field-aligned component formed a separate inverted-V energy-time signature whose peak energy was half the isotropic peak energy.

  20. Solar Energetic Particle Events Observed by MAVEN

    NASA Astrophysics Data System (ADS)

    Lee, C. O.; Larson, D. E.; Lillis, R. J.; Luhmann, J. G.; Halekas, J. S.; Brain, D.; Connerney, J. E. P.; Espley, J. R.; Epavier, F.; Thiemann, E.; Zeitlin, C.; Jakosky, B. M.

    2015-12-01

    We present observations of solar energetic particle (SEP) events made by the Mars Atmosphere and Volatile EvolutioN (MAVEN) SEP instrument, which measures energetic ions and electrons impacting the upper Martian atmosphere. Since the arrival of the MAVEN spacecraft at Mars, a large number of solar flares and a few major coronal mass ejections (CMEs) erupted from the Sun. The SEPs are accelerated by the related shock in the solar corona or by the propagating interplanetary shock ahead of the CME ejecta. Mixed in with these SEPs are particles accelerated by the shocks of corotating streams, some of which have recurred for several solar cycles due to the persistent coronal hole sources. The SEP events are analyzed together with the upstream solar wind observations from the MAVEN Solar Wind Ion Analyzer (SWIA) and magnetometer (MAG). The sources of the SEP events are determined from Earth-based solar imagery and the MAVEN Extreme Ultra-violet Monitor (EUVM) together with numerical simulations of the inner heliospheric conditions. A comparison with the radiation dose rate measurements from the Mars Science Laboratory (MSL) Radiation Assessment Detector (RAD) reveals a lack of ground signatures during the onset of the highest energy SEPs for the events observed by MAVEN, indicating that the SEPs fully deposit their energies into the Martian atmosphere. Using measurements made from the ensemble of instruments onboard MAVEN, we investigate the consequences of SEPs at Mars for a number of events observed during the primary science mapping phase of the MAVEN mission.

  1. How do energetic ions damage metallic surfaces?

    SciTech Connect

    Osetskiy, Yury N.; Calder, Andrew F.; Stoller, Roger E.

    2015-02-20

    Surface modification under bombardment by energetic ions observed under different conditions in structural and functional materials and can be either unavoidable effect of the conditions or targeted modification to enhance materials properties. Understanding basic mechanisms is necessary for predicting properties changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films with (100) and (110) surfaces at room temperature. A large number of simulations, ~400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three basic scenarios were observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some instances, formation of large <100> vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations.

  2. How do energetic ions damage metallic surfaces?

    DOE PAGESBeta

    Osetskiy, Yury N.; Calder, Andrew F.; Stoller, Roger E.

    2015-02-20

    Surface modification under bombardment by energetic ions observed under different conditions in structural and functional materials and can be either unavoidable effect of the conditions or targeted modification to enhance materials properties. Understanding basic mechanisms is necessary for predicting properties changes. The mechanisms activated during ion irradiation are of atomic scale and atomic scale modeling is the most suitable tool to study these processes. In this paper we present results of an extensive simulation program aimed at developing an understanding of primary surface damage in iron by energetic particles. We simulated 25 keV self-ion bombardment of Fe thin films withmore » (100) and (110) surfaces at room temperature. A large number of simulations, ~400, were carried out allow a statistically significant treatment of the results. The particular mechanism of surface damage depends on how the destructive supersonic shock wave generated by the displacement cascade interacts with the free surface. Three basic scenarios were observed, with the limiting cases being damage created far below the surface with little or no impact on the surface itself, and extensive direct surface damage on the timescale of a few picoseconds. In some instances, formation of large <100> vacancy loops beneath the free surface was observed, which may explain some earlier experimental observations.« less

  3. Limitation of energetic ring current ion spectra

    NASA Astrophysics Data System (ADS)

    Summers, Danny; Shi, Run

    2015-09-01

    We address the problem of determining the limiting energetic ring current ion spectrum resulting from electromagnetic ion cyclotron (EMIC)-wave-ion interactions. We solve the problem in a relativistic regime, incorporating a cold background multi-ion plasma component and without assuming a predetermined form for the ion energy distribution. The limiting (Kennel-Petschek) spectrum is determined by the condition that the EMIC waves acquire a specified gain over a given convective length scale for all frequencies over which wave growth occurs. We find that the limiting ion spectrum satisfies an integral equation that must be solved numerically. However, at large particle energy E, the limiting spectrum takes the simple form J ∝ 1/E, E → ∞. Moreover, this 1/E spectral shape does not depend on the energetic ion in question nor on the background multi-ion plasma composition. We provide numerical solutions for the limiting spectra for Earth-like parameters. In addition, at four planets, Jupiter, Saturn, Uranus, and Neptune, we compare measured ion spectra with corresponding numerical limiting spectra. This paper parallels an earlier analogous study on the limitation of radiation belt electron spectra by whistler mode wave-electron interactions.

  4. Benchtop energetics: Detection of hyperthermal species

    NASA Astrophysics Data System (ADS)

    Fossum, Emily C.; Molek, Christopher D.; Lewis, William K.; Fajardo, Mario

    2012-03-01

    We present a novel scheme for monitoring the transition between deflagration and "detonation-like" behavior of small-scale explosive samples subjected to shock stimuli. The intended geometry for this setup incorporates a laser-driven-flyer impact technique to generate a pure mechanical input. However, we report results here using a simplified geometry for purposes of evaluating the time-of-flight mass spectrometric (TOFMS) diagnostics using direct laser ablation of solid aluminum and of an aluminum mirror coated with a small amount (~1 μg) of PETN. This manuscript presents the TOFMS detection of fast aluminum atoms (>10 km/s) resulting from laser ablation, confirming our ability to detect hyperthermal species. Preliminary results from pentaerythritol tetranitrate (PETN) experiments reveal a transition from species consistent with deflagration (primarily NO2) at low laser fluence, to those consistent with detonation-like events (N2, CO, CO2) at higher laser fluence. At this time, due to several unknown parameters in the current setup, we will not posit the exact physical details which cause this transition (e.g. shock pressures, temperatures, etc.). However, these results indicate that such a transition can be detected using the Benchtop Energetics TOFMS diagnostics setup, where future, more controlled and/or characterized energetic events may lead to better understanding of initiation/ignition thresholds of candidate materials.

  5. Multidimensional DDT modeling of energetic materials

    SciTech Connect

    Baer, M.R.; Hertel, E.S.; Bell, R.L.

    1995-07-01

    To model the shock-induced behavior of porous or damaged energetic materials, a nonequilibrium mixture theory has been developed and incorporated into the shock physics code, CTH. The foundation for this multiphase model is based on a continuum mixture formulation given by Baer and Nunziato. This multiphase mixture model provides a thermodynamic and mathematically-consistent description of the self-accelerated combustion processes associated with deflagration-to-detonation and delayed detonation behavior which are key modeling issues in safety assessment of energetic systems. An operator-splitting method is used in the implementation of this model, whereby phase diffusion effects are incorporated using a high resolution transport method. Internal state variables, forming the basis for phase interaction quantities, are resolved during the Lagrangian step requiring the use of a stiff matrix-free solver. Benchmark calculations are presented which simulate low-velocity piston impact on a propellant porous bed and experimentally-measured wave features are well replicated with this model. This mixture model introduces micromechanical models for the initiation and growth of reactive multicomponent flow that are key features to describe shock initiation and self-accelerated deflagration-to-detonation combustion behavior. To complement one-dimensional simulation, two-dimensional numerical calculations are presented which indicate wave curvature effects due to the loss of wall confinement. This study is pertinent for safety analysis of weapon systems.

  6. The energetic basis of acoustic communication

    PubMed Central

    Gillooly, James F.; Ophir, Alexander G.

    2010-01-01

    Animals produce a tremendous diversity of sounds for communication to perform life's basic functions, from courtship and parental care to defence and foraging. Explaining this diversity in sound production is important for understanding the ecology, evolution and behaviour of species. Here, we present a theory of acoustic communication that shows that much of the heterogeneity in animal vocal signals can be explained based on the energetic constraints of sound production. The models presented here yield quantitative predictions on key features of acoustic signals, including the frequency, power and duration of signals. Predictions are supported with data from nearly 500 diverse species (e.g. insects, fishes, reptiles, amphibians, birds and mammals). These results indicate that, for all species, acoustic communication is primarily controlled by individual metabolism such that call features vary predictably with body size and temperature. These results also provide insights regarding the common energetic and neuromuscular constraints on sound production, and the ecological and evolutionary consequences of producing these sounds. PMID:20053641

  7. A constitutive mechanical model for energetic materials

    SciTech Connect

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

    1994-06-01

    Cookoff modeling of energetic materials has traditionally addressed reactive heat flow with the goal of defining the onset of runaway combustion behavior. Current modeling efforts are now aimed toward predicting the violence of the event. Combined thermal, chemical, and mechanical response must be modeled, since confinement results in pressure buildup which can breach confinement or enhance gas-phase combustion rates leading to runaway combustion behavior. Thermally induced stresses can also cause gaps which inhibit heat flow. These mechanical effects must also be included in cookoff modeling. A new reactive elastic-plastic constitutive model for micromechanical response has been developed which represents a stress-strain relation for reacting materials such as explosives, propellants, pyrotechnics, or burning foams. This micromechanical model is based on bubble mechanics. A local force balance, with mass continuity constraints, forms the basis of the constitutive model requiring input of temperature and reacted fraction. This constitutive material model has been incorporated into a quasistatic mechanics code, SANTOS. To provide temperature and reacted gas fraction, the thermal-chemical solver, XCHEM, has been coupled to SANTOS. This paper summarizes the development of the micromechanical model with material property estimates for conventional energetic materials. This study shows that large pressures can arise from small reacted fractions which implies that cookoff modeling must consider the strong interaction between thermochemistry and mechanics.

  8. Energetics and mechanics for partial gravity locomotion.

    PubMed

    Newman, D J; Alexander, H L; Webbon, B W

    1994-09-01

    The role of gravitational acceleration on human locomotion is not clearly understood. It is hypothesized that the mechanics and energetics of locomotion depend upon the prevailing gravity level. A unique human-rated underwater treadmill and an adjustable ballasting harness were used to stimulate partial gravity environments. This study has two research aspects, biomechanics and energetics. Vertical forces which are exerted by subjects on the treadmill-mounted, split-plate force platform show that peak vertical force and stride frequency significantly decrease (p < 0.05) as the gravity level is reduced, while ground contact time is independent of gravity level. A loping gait is employed over a wide range of speeds (approximately 1.5 m/s to approximately 2.3 m/s) suggesting a change in the mechanics for lunar (1/6 G) and Martian (3/8 G) locomotion. As theory predicts, locomotion energy requirements for partial gravity levels are significantly less than at 1 G (p < 0.05). PMID:7818450

  9. Energetic particle effects on global MHD modes

    SciTech Connect

    Cheng, C.Z.

    1990-01-01

    The effects of energetic particles on MHD type modes are studied by analytical theories and the nonvariational kinetic-MHD stability code (NOVA-K). In particular we address the problems of (1) the stabilization of ideal MHD internal kink modes and the excitation of resonant fishbone'' internal modes and (2) the alpha particle destabilization of toroidicity-induced Alfven eigenmodes (TAE) via transit resonances. Analytical theories are presented to help explain the NOVA-K results. For energetic trapped particles generated by neutral-beam injection (NBI) or ion cyclotron resonant heating (ICRH), a stability window for the n=1 internal kink mode in the hot particle beat space exists even in the absence of core ion finite Larmor radius effect (finite {omega}{sub *i}). On the other hand, the trapped alpha particles are found to resonantly excite instability of the n=1 internal mode and can lower the critical beta threshold. The circulating alpha particles can strongly destabilize TAE modes via inverse Landau damping associated with the spatial gradient of the alpha particle pressure. 23 refs., 5 figs.

  10. Coarse-Grain Modeling of Energetic Materials

    NASA Astrophysics Data System (ADS)

    Brennan, John

    2015-06-01

    Mechanical and thermal loading of energetic materials can incite responses over a wide range of spatial and temporal scales due to inherent nano- and microscale features. Many energy transfer processes within these materials are atomistically governed, yet the material response is manifested at the micro- and mesoscale. The existing state-of-the-art computational methods include continuum level approaches that rely on idealized field-based formulations that are empirically based. Our goal is to bridge the spatial and temporal modeling regimes while ensuring multiscale consistency. However, significant technical challenges exist, including that the multiscale methods linking the atomistic and microscales for molecular crystals are immature or nonexistent. To begin addressing these challenges, we have implemented a bottom-up approach for deriving microscale coarse-grain models directly from quantum mechanics-derived atomistic models. In this talk, a suite of computational tools is described for particle-based microscale simulations of the nonequilibrium response of energetic solids. Our approach builds upon recent advances both in generating coarse-grain models under high strains and in developing a variant of dissipative particle dynamics that includes chemical reactions.

  11. Synthesis and evaluation of energetic materials

    NASA Astrophysics Data System (ADS)

    Santhosh, G.

    Over the years new generations of propellants and explosives are being developed. High performance and pollution prevention issues have become the subject of interest in recent years. Desired properties of these materials are a halogen-free, nitrogen and oxygen rich molecular composition with high density and a positive heat of formation. The dinitramide anion is a new oxy anion of nitrogen and forms salts with variety of metal, organic and inorganic cations. Particular interest is in ammonium dinitramide (ADN, NH4N(NO 2)2) which is a potentially useful energetic oxidizer. ADN is considered as one of the most promising substitutes for ammonium perchlorate (AP, NH4ClO4) in currently used composite propellants. It is unique among energetic materials in that it has no carbon or chlorine; its combustion products are not detrimental to the atmosphere. Unquestionable advantage of ADN over AP is the significant improvement in the performance of solid rocket motors by 5-15%. The present thesis is centered on the experimental results along with discussion of some of the most pertinent aspects related to the synthesis and characterization of few dinitramide salts. The chemistry, mechanism and kinetics of the formation of dinitramide salts by nitration of deactivated amines are investigated. The evaluation of the thermal and spectral properties along with the adsorption and thermal decomposition characteristics of the dinitramide salts are also explored in this thesis.

  12. Energetic photoelectrons and the polar rain

    NASA Technical Reports Server (NTRS)

    Decker, Dwight T.; Jasperse, J. R.; Winningham, J. D.

    1990-01-01

    In the daytime midlatitudes, the Low Altitude Plasma Instrument (LAPI) on board the Dynamics Explorer 2 satellite has observed photoelectrons with energies as high as 850 eV. These energetic photoelectrons are an extension of the 'classical' photoelectrons (less than 60 eV) and result from photoionization of neutrals by soft solar X-rays. Since these photoelectrons are produced wherever the solar flux is incident on the earth's atmosphere, they should be present in sunlit polar cap. But in the polar cap, over these same energies, there is a well-known electron population: the polar rain, a low intensity electron flux of magnetospheric origin. Thus, in the sunlit polar cap, an energetic population of electrons should consist of both an ionospheric (photoelectron) and a magnetospheric (polar rain) component. Using numerical solutions of an electron transport equation with appropriate boundary conditions and sunlit polar cap LAPI data, it is shown that the two populations (photoelectron and polar rain) are indeed present and are both needed to explain polar cap observations.

  13. Photomask repair using low-energetic electrons

    NASA Astrophysics Data System (ADS)

    Edinger, K.; Wolff, K.; Spies, P.; Luchs, T.; Schneider, H.; Auth, N.; Hermanns, Ch. F.; Waiblinger, M.

    2015-10-01

    Mask repair is an essential step in the mask manufacturing process as the extension of 193nm technology and the insertion of EUV are drivers for mask complexity and cost. The ability to repair all types of defects on all mask blank materials is crucial for the economic success of a mask shop operation. In the future mask repair is facing several challenges. The mask minimum features sizes are shrinking and require a higher resolution repair tool. At the same time mask blanks with different new mask materials are introduced to optimize optical performance and long term durability. For EUV masks new classes of defects like multilayer and phase defects are entering the stage. In order to achieve a high yield, mask repair has to cover etch and deposition capabilities and must not damage the mask. We will demonstrate in this paper that low energetic electron-beam (e-beam)-based mask repair is a commercially viable solution. Therefore we developed a new repair platform called MeRiT® neXT to address the technical challenges of this new technology. We will analyze the limits of the existing as well as lower energetic electron induced repair technologies theoretically and experimentally and show performance data on photomask reticles. Based on this data, we will give an outlook to future mask repair technology.

  14. The energetic basis of acoustic communication.

    PubMed

    Gillooly, James F; Ophir, Alexander G

    2010-05-01

    Animals produce a tremendous diversity of sounds for communication to perform life's basic functions, from courtship and parental care to defence and foraging. Explaining this diversity in sound production is important for understanding the ecology, evolution and behaviour of species. Here, we present a theory of acoustic communication that shows that much of the heterogeneity in animal vocal signals can be explained based on the energetic constraints of sound production. The models presented here yield quantitative predictions on key features of acoustic signals, including the frequency, power and duration of signals. Predictions are supported with data from nearly 500 diverse species (e.g. insects, fishes, reptiles, amphibians, birds and mammals). These results indicate that, for all species, acoustic communication is primarily controlled by individual metabolism such that call features vary predictably with body size and temperature. These results also provide insights regarding the common energetic and neuromuscular constraints on sound production, and the ecological and evolutionary consequences of producing these sounds. PMID:20053641

  15. Thread Pool Interface (TPI)

    Energy Science and Technology Software Center (ESTSC)

    2008-04-01

    Thread Pool Interface (TpI) provides a simple interface for running functions written in C or C++ in a thread-parallel mode. Application or library codes may need to perform operations thread-parallel on machines with multicore processors. the TPI library provides a simple mechanism for managing thread activation, deactivation, and thread-parallel execution of application-provided subprograms.

  16. Interface Conductance Modal Analysis

    NASA Astrophysics Data System (ADS)

    Gordiz, Kiarash; Henry, Asegun

    2015-03-01

    Reliably and quantitatively calculating the conductance of phonons across an interface between two materials has been one of the major unresolved questions in thermal transport physics for the last century. Theories have been presented in this regard, but their predictive power is limited. A new formalism to extract the modal contributions to thermal interface conductance with full inclusion of temperature dependent anharmonicity and all of the atom level topography is presented. The results indicate that when two materials are joined a new set of vibrational modes are required to correctly describe the transport across the interface. The new set of vibrational modes is inconsistent with the physical picture described by phonon gas model (PGM), because some of the most important modes are localized and non-propagating and therefore do not have a well-defined velocity nor do they impinge on the interface. Among these new modes, certain classifications emerge, as most modes extend at least partially into the other material. Localized interfacial modes are also present and exhibit a high conductance contribution on a per mode basis by strongly coupling to other types of vibrational modes. We apply our formalism to different interfaces and present thermal interface conductance accumulation functions, two-dimensional cross-correlation matrices, and a quantitative determination of the contributions arising from inelastic effects. The provided new perspective on interface thermal transport can open new gates towards deeper understanding of phonon-phonon and electron-phonon interactions around interfaces.

  17. Interface colloidal robotic manipulator

    DOEpatents

    Aronson, Igor; Snezhko, Oleksiy

    2015-08-04

    A magnetic colloidal system confined at the interface between two immiscible liquids and energized by an alternating magnetic field dynamically self-assembles into localized asters and arrays of asters. The colloidal system exhibits locomotion and shape change. By controlling a small external magnetic field applied parallel to the interface, structures can capture, transport, and position target particles.

  18. Designing the Instructional Interface.

    ERIC Educational Resources Information Center

    Lohr, L. L.

    2000-01-01

    Designing the instructional interface is a challenging endeavor requiring knowledge and skills in instructional and visual design, psychology, human-factors, ergonomic research, computer science, and editorial design. This paper describes the instructional interface, the challenges of its development, and an instructional systems approach to its…

  19. Broad Distribution of Energetically Important Contacts across an Extended Protein Interface

    SciTech Connect

    Johnson, Lisa M.; Horne, W. Seth; Gellman, Samuel H.

    2012-02-27

    Infection of cells by HIV depends upon profound structural rearrangements within the trimeric viral protein gp41. Critical to this process is the formation of a six-helix bundle in which a set of three N-terminal heptad repeat (NHR) helices assemble to form a core displaying long grooves that provide docking sites for three C-terminal heptad repeat (CHR) helices. We report experiments designed to discriminate between two alternative hypotheses regarding the source of affinity between individual CHR helices and the complementary groove: (1) affinity is dominated by interactions of a small cluster of side chains at one end of the CHR helix; or (2) affinity depends upon interactions distributed across the long CHR helix. We have employed two complementary experimental designs, and results from both favor the latter hypothesis.

  20. Energetics, bonding mechanism and electronic structure of metal/ceramic interfaces

    SciTech Connect

    Freeman, A.J.

    1992-01-01

    Among the tremendous variety of oxide materials currently used for technological applications, those based on titanium and vanadium oxides are not only among the most important, but are also the most intriguing. Relatively small changes in crystallographic modifications and valencies of metal atoms, as the wide class of Magnelli phases and related compounds, may result in abrupt metal-insulator transitions and sharp changes of magnetic ordering with critical temperatures that may vary in the hundreds of degrees range. When doped by other transition, or s and p metals, these oxides exhibit a vast variety of complicated cooperative phenomena,starting from unusual ferroelectricity up to superconductivity at moderately high temperatures. Most of these unusual materials have been extensively studied and used in the bulk or polycrystalline thin film form. For the fabrication of novel devices of micron or submicron sizes, however, single crystal films and superlattices are preferred or required. Moreover, one may expect that such man-made'' artificial structures will reveal new and unusual physical properties. These are the reasons for the Renaissance in experimental and theoretical investigations of these oxides that is now occurring.

  1. Energetics, bonding mechanism and electronic structure of metal/ceramic interfaces

    SciTech Connect

    Freeman, A.J.

    1993-01-01

    Progress are reported on: electronic structure of PdO, PtO, and AgO (band structure calculations); ab initio calculations of electronic structure of TiO{sub 2}(110) surface; and electronic structure of VO{sub 2} and TiO{sub 2} thin films and multilayers. (DLC)

  2. Interfaces in Perovskite Heterostructures

    SciTech Connect

    Christen, Hans M; Kim, Dae Ho; Rouleau, Christopher M

    2008-01-01

    Recent advances in film synthesis have made it possible to investigate the properties of well-controlled interfaces in perovskite metal-oxides. A review of published experimental data and computational results indicate that so far most interfaces that have been analyzed in ferroelectric materials - while necessary to impose large lattice strain on the polar material - contribute little to the ferroelectricity and may instead be detrimental to the desired properties. In contrast, a very different situation arises at interfaces that show changes in the electronic configuration as a consequence of a compositional discontinuity. Data is shown for LaMnO3/SrTiO 3 superlattices as an example of electronic effects that produce enhanced properties, further illustrating the richness of interfacial properties that can be obtained at interfaces (as shown in numerous published results for different but related interfaces).

  3. Energetics and kinetics of vacancies in monolayer graphene boron nitride heterostructures

    NASA Astrophysics Data System (ADS)

    Ouyang, Bin; Meng, Fanchao; Song, Jun

    2014-12-01

    Graphene and boron nitride (GPBN) heterostructures provide a viable way to realize tunable bandgap, promising new opportunities in graphene-based nanoelectronic and optoelectronic devices. In the present study, we investigated the interplay between vacancies and graphene/h-BN interfaces in monolayer GPBN heterostructures. The energetics and kinetics of monovacancies and divacancies in monolayer GPBN heterostructures were examined using first-principle calculations. The interfaces were shown to be preferential locations for vacancy segregation. Meanwhile the kinetics of vacancies was found to be noticeably modified at interfaces, evidenced by the minimum energy paths and associated migration barriers calculations. The role of interfacial bonding configurations, energy states and polarization on the formation and diffusion of vacancies were discussed. Additionally we demonstrated that it is important to recognize the dissimilarities in the diffusion prefactor for different vacancies for accurate determination of the vacancy diffusion coefficient. Our results provide essential data for the modeling of vacancies in GPBN heterostructures, and important insights towards the precise engineering of defects, interfaces and quantum domains in the design of GPBN-based devices.

  4. Integrative methods for studying cardiac energetics.

    PubMed

    Diolez, Philippe; Deschodt-Arsac, Véronique; Calmettes, Guillaume; Gouspillou, Gilles; Arsac, Laurent; Dos Santos, Pierre; Jais, Pierre; Haissaguerre, Michel

    2015-01-01

    The more recent studies of human pathologies have essentially revealed the complexity of the interactions involved at the different levels of integration in organ physiology. Integrated organ thus reveals functional properties not predictable by underlying molecular events. It is therefore obvious that current fine molecular analyses of pathologies should be fruitfully combined with integrative approaches of whole organ function. It follows an important issue in the comprehension of the link between molecular events in pathologies, and whole organ function/dysfunction is the development of new experimental strategies aimed at the study of the integrated organ physiology. Cardiovascular diseases are a good example as heart submitted to ischemic conditions has to cope both with a decreased supply of nutrients and oxygen, and the necessary increased activity required to sustain whole body-including the heart itself-oxygenation.By combining the principles of control analysis with noninvasive (31)P NMR measurement of the energetic intermediates and simultaneous measurement of heart contractile activity, we developed MoCA (for Modular Control and Regulation Analysis), an integrative approach designed to study in situ control and regulation of cardiac energetics during contraction in intact beating perfused isolated heart (Diolez et al., Am J Physiol Regul Integr Comp Physiol 293(1):R13-R19, 2007). Because it gives real access to integrated organ function, MoCA brings out a new type of information-the "elasticities," referring to internal responses to metabolic changes-that may be a key to the understanding of the processes involved in pathologies. MoCA can potentially be used not only to detect the origin of the defects associated with the pathology, but also to provide the quantitative description of the routes by which these defects-or also drugs-modulate global heart function, therefore opening therapeutic perspectives. This review presents selected examples of the

  5. The Graphene/Graphane Interface Energy and Implications for Defects

    SciTech Connect

    Averill, Frank; Morris, James R

    2011-01-01

    Recent theoretical work has shown that electronic properties of graphene sheets can be systematically modified by the partial hydrogenation of the sheets. Two possible perfect and distinct graphene/graphane interfaces (called zig-zag and armchair) have very different but potentially useful electronic properties which are nevertheless likely to be affected by the presence of defects. In an effort to evaluate their relative energetics and their potential for defects, the structure and energies of the zig-zag and armchair interfaces have been computed for infinite sheets of periodically alternating stripes of graphene and graphane ribbons of various widths. The presence of an interface causes significant strains in both the graphene and graphane regions, with both shear strains and area strains typically close to 1%. The associated large strain energies may lead to defects that relieve the strain but disrupt the lattice. The energies per unit length associated with the interfaces alone are approximately 0.12 eV/ for the zig-zag interface and 0.11 eV/ for the armchair. The large misfit strains and energies suggest that formation of strain-relieving defects at the interface should be highly favorable.

  6. Operator interface for vehicles

    DOEpatents

    Bissontz, Jay E

    2015-03-10

    A control interface for drivetrain braking provided by a regenerative brake and a non-regenerative brake is implemented using a combination of switches and graphic interface elements. The control interface comprises a control system for allocating drivetrain braking effort between the regenerative brake and the non-regenerative brake, a first operator actuated control for enabling operation of the drivetrain braking, and a second operator actuated control for selecting a target braking effort for drivetrain braking. A graphic display displays to an operator the selected target braking effort and can be used to further display actual braking effort achieved by drivetrain braking.

  7. Energetics of hydrothermal convection in heterogeneous ocean crust

    NASA Astrophysics Data System (ADS)

    Ruepke, Lars; Hasenclever, Joerg; Andersen, Christine

    2015-04-01

    Recent advances in hydrothermal flow modeling have revealed the key thermodynamic and fluid-dynamic controls on hydrothermal convection and vent temperatures at oceanic spreading centers. The observed upper limit to black smoker vent temperatures of approx. 400°C can be explained by the thermodynamic properties of water (Jupp and Schultz, 2000). Likewise, 3D models of hydrothermal flow at fast-spreading ridges show cylindrical upwellings with closely interwoven recharge flow (Coumou et al., 2008, Hasenclever et al., 2014). While these studies provide a robust theoretical basis for hydrothermal flow observations at fast-spreading ridges, the situation at slow-spreading ridges is different. The slow-spreading Mid-Atlantic Ridge produces highly heterogeneous crust along its tectonic and magmatic segments with significant permeability contrasts across structural and lithological interfaces. The sub-seafloor permeability structure has a strong control on vent field location such that off-axis hydrothermal systems are apparently consistently located at outcropping fault zones. We have recently shown that preferential flow along high-permeability conduits inevitably leads to the entrainment of cold ambient seawater (Andersen et al., 2014), which causes a temperature drop that is difficult to reconcile with fault-related high-temperature venting. A fundamental question is therefore how hydrothermal fluids can maintain their high temperature while flowing kilometers from a driving heat source through highly heterogeneous crust to a vent site at the seafloor? We address this question by exploring the energetics of hydrothermal convection in heterogeneous ocean crust using 2D and 3D flow simulations. In our analysis we focus on the energy balance of rising hydrothermal plumes and on mixing processes at permeability boundaries, with the aim to establish a more robust theoretical framework for hydrothermal flow through highly heterogeneous seafloor.

  8. Sodium Pentazolate: a Nitrogen Rich Energetic Material

    NASA Astrophysics Data System (ADS)

    Oleynik, Ivan; Steele, Brad

    Sodium pentazolates NaN5 and Na2N5, new energetic materials, are discovered using first principles crystal structure search for the compounds of varying amounts of elemental sodium and nitrogen. The pentazole anion (N5-s)i stabilized in the condensed phase by sodium Na+ cations at pressures exceeding 20 GPa, and becomes metastable upon release of pressure, i.e. at ambient conditions. The sodium azide (NaN3) precursor for the new compounds is predicted to undergo a chemical transformation above 50 GPa into sodium pentazolates NaN5 and Na2N5. The calculated Raman spectrum of NaN5 is in agreement with the experimental Raman spectrum of a previously unidentified substance appearing upon compression and heating of NaN3 precursor, thus confirming the appearance of the new compound.

  9. Energetics of the quantum graphity universe

    NASA Astrophysics Data System (ADS)

    Wilkinson, Samuel A.; Greentree, Andrew D.

    2014-12-01

    Quantum graphity is a background independent model for emergent geometry, in which space is represented as a dynamical graph. The high-energy pregeometric starting point of the model is usually considered to be the complete graph; however, we also consider the empty graph as a candidate pregeometric state. The energetics as the graph evolves from either of these high-energy states to a low-energy geometric state is investigated as a function of the number of edges in the graph. Analytic results for the slope of this energy curve in the high-energy domain are derived, and the energy curve is determined exactly for small number of vertices N . To study the whole energy curve for larger (but still finite) N , an epitaxial approximation is introduced. This work may open the way to compare predictions from quantum graphity with observations of the early Universe, making the model falsifiable.

  10. Dynamics and energetics of the solar corona

    NASA Technical Reports Server (NTRS)

    Steinolfson, R. S.

    1992-01-01

    The primary objective of this research program is to improve our understanding of the dynamics and energetics of the solar corona both in the quiescent dynamic equilibrium state when coronal structure is dominated by the equatorial streamer belt and in the eruptive state when coronal plasma is ejected into the interplanetary medium. Numerical solutions of the time-dependent magnetohydrodynamic (MHD) equations and comparisons of the computed results with observations form the core of the approach to achieving this objective. Some of the specific topics that have been studied are: (1) quiescent coronal streamers in an atmosphere dominated by a dipole magnetic field at large radii, (2) the formation of coronal mass ejections (CMEs) in quiescent streamers due to the emergence of new magnetic flux and due to photospheric shear motion, (3) MHD shock formation near the leading edge of CMEs, (4) coronal magnetic arcade eruption as a result of applied photospheric shear motion, and (5) the three-dimensional structure of CMEs.

  11. Coronal abundances determined from energetic particles

    NASA Technical Reports Server (NTRS)

    Reames, D. V.

    1995-01-01

    Solar energetic particles (SEPs) provide a measurement of coronal element abundances that is highly independent of the ionization states and temperature of the ions in the source plasma. The most complete measurements come from large 'gradual' events where ambient coronal plasma is swept up by the expanding shock wave from a coronal mass ejection. Particles from 'impulsive' flares have a pattern of acceleration-induced enhancements superimposed on the coronal abundances. Particles accelerated from high-speed solar wind streams at corotating shocks show a different abundance pattern corresponding to material from coronal holes. Large variations in He/O in coronal material are seen for both gradual and impulsive-flare events but other abundance ratios, such as Mg/Ne, are remarkably constant. SEP measurements now include hundreds of events spanning 15 years of high-quality measurement.

  12. Energetics and stochastic dynamics of intraneuron transport

    NASA Astrophysics Data System (ADS)

    Romanovsky, Yu M.; Trifonenkov, V. P.

    2016-02-01

    Walking molecular motors performing various functions in living cells are reviewed, including kinesin, myosin V, and dynein. These motors ensure the transport of neuromediators in neurons and are therefore crucial for interaction among the hundred billion brain cells. Functional schemes based on these motors are presented, and corresponding mathematical models are constructed as systems of two coupled FitzHugh-Nagumo equations. However, polynomials describing the moments of force are of high order and nearly N-shaped. Model parameters are determined from motor functional schemes that are based on observed data from X-ray structural analysis, cryogenic electron microscopy, laser tweezer measurements, and fast point marker-based videomicroscopy. Basic data on neuron energetics are summarized.

  13. Solar Energetic Particles: Sampling Coronal Abundances

    NASA Astrophysics Data System (ADS)

    Reames, Donald V.

    1998-05-01

    In the large solar energetic particle (SEP) events, coronal mass ejections (CMEs) drive shock waves out through the corona that accelerate elements of the ambient material to MeV energies in a fairly democratic, temperature-independent manner. These events provide the most complete source of information on element abundances in the corona. Relative abundances of 22 elements from H through Zn display the well-known dependence on the first ionization potential (FIP) that distinguishes coronal and photospheric material. For most elements, the main abundance variations depend upon the gyrofrequency, and hence on the charge-to-mass ratio, Q/A, of the ion. Abundance variations in the dominant species, H and He, are not Q/A dependent, presumably because of non-linear wave-particle interactions of H and He during acceleration. Impulsive flares provide a different sample of material that confirms the Ne:Mg:Si and He/C abundances in the corona.

  14. ENERGETIC PARTICLE ANISOTROPIES AT THE HELIOSPHERIC BOUNDARY

    SciTech Connect

    Florinski, V.; Le Roux, J. A.; Jokipii, J. R.; Alouani-Bibi, F.

    2013-10-20

    In 2012 August the Voyager 1 space probe entered a distinctly new region of space characterized by a virtual absence of heliospheric energetic ions and magnetic fluctuations, now interpreted as a part of the local interstellar cloud. Prior to their disappearance, the ion distributions strongly peaked at a 90° pitch angle, implying rapid escape of streaming particles along the magnetic field lines. Here we investigate the process of particle crossing from the heliosheath into the interstellar space, using a kinetic approach that resolves scales of the particle's cyclotron radius and smaller. It is demonstrated that a 'pancake' pitch-angle distribution naturally arises at a tangential discontinuity separating a weakly turbulent plasma from a laminar region with a very low pitch-angle scattering rate. The relatively long persistence of gyrating ions is interpreted in terms of field line meandering facilitating their cross-field diffusion within the depletion region.

  15. Energetic materials destruction using molten salt

    SciTech Connect

    Upadhye, R.S.; Watkins, B.E.; Pruneda, C.O.; Brummond, W.A.

    1994-04-29

    The Lawrence Livermore National Laboratory in conjunction with the Energetic Materials Center is developing methods for the safe and environmentally sound destruction of explosives and propellants as a part of the Laboratory`s ancillary demilitarization mission. LLNL has built a small-scale unit to test the destruction of HE using the Molten Salt Destruction (MSD) Process. In addition to the high explosive HMX, destruction has been carried out on RDX, PETN, ammonium picrate, TNT, nitroguanadine, and TATB. Also destroyed was a liquid gun propellant comprising hydroxyammonium nitrate, triethanolammonium nitrate and water. In addition to these pure components, destruction has been carried out on a number of commonly used formulations, such as LX-10, LX-16, LX-17, and PBX-9404.

  16. Bombarding insulating foils with highly energetic ions

    NASA Astrophysics Data System (ADS)

    Lanzanò, G.; de Filippo, E.; Hagmann, S.; Rothard, H.; Volant, C.

    Insulating (MYLAR), semi-insulating (MYLAR-Au) and conducting foils have been bombarded by very energetic 64 MeV u-1 78Kr32+ ions. The velocity spectra of fast electrons emitted in the backward and forward directions have been measured and analyzed as a function of the elapsed time in the run. A shift of binary encounter and convoy electrons emitted in the forward direction toward lower velocities has been observed with insulating targets. No such shift occurs with metallic targets. The surface potential evolves with time (i.e. ion fluence) both at forward and backward emission angle. It is shown that strong bulk charging of insulating targets leads to a positive potential as high as 9 kV before charge breakdown.

  17. Skeletal Muscle Mitochondrial Energetic Efficiency and Aging

    PubMed Central

    Crescenzo, Raffaella; Bianco, Francesca; Mazzoli, Arianna; Giacco, Antonia; Liverini, Giovanna; Iossa, Susanna

    2015-01-01

    Aging is associated with a progressive loss of maximal cell functionality, and mitochondria are considered a key factor in aging process, since they determine the ATP availability in the cells. Mitochondrial performance during aging in skeletal muscle is reported to be either decreased or unchanged. This heterogeneity of results could partly be due to the method used to assess mitochondrial performance. In addition, in skeletal muscle the mitochondrial population is heterogeneous, composed of subsarcolemmal and intermyofibrillar mitochondria. Therefore, the purpose of the present review is to summarize the results obtained on the functionality of the above mitochondrial populations during aging, taking into account that the mitochondrial performance depends on organelle number, organelle activity, and energetic efficiency of the mitochondrial machinery in synthesizing ATP from the oxidation of fuels. PMID:25970752

  18. Access of energetic particles to Titan's exobase

    NASA Astrophysics Data System (ADS)

    Regoli, L.; Roussos, E.; Feyerabend, M.; Jones, G.; Krupp, N.; Coates, A.; Simon, S.; Motschmann, U.

    2015-10-01

    In this contribution we use a particle tracing code to trace energetic particles close to Titan in the specific magnetospheric conditions of the Cassini T9 flyby. The particles simulated are H+and O+ions with energies ranging from 1 keV to 1 MeV and the background electromagnetic field is represented by the output of the A.I.K.E.F. hybrid code for that specific flyby. These tools are used to generate 2D maps showing the access of the particles to the moon's exobase and those maps are subsequently used to normalize the fluxes measured by the Cassini MIMI/CHEMS instrument and estimate the energy deposition at specific positions around the moon.With this, we are able to estimate the importance that the asymmetries in the access of particles to the exobase has in the dynamics of Titan's ionosphere.

  19. Models of muscle contraction and energetics

    PubMed Central

    Lai, Nicola; Gladden, L. Bruce; Carlier, Pierre G.; Cabrera, Marco E.

    2013-01-01

    How does skeletal muscle manage to regulate the pathways of ATP synthesis during large-scale changes in work rate while maintaining metabolic homeostasis remains unknown. The classic model of metabolic regulation during muscle contraction states that accelerating ATP utilization leads to increasing concentrations of ADP and Pi, which serve as substrates for oxidative phosphorylation and thus accelerate ATP synthesis. An alternative model states that both the ATP demand and ATP supply pathways are simultaneously activated. Here, we review experimental and computational models of muscle contraction and energetics at various organizational levels and compare them with respect to their pros and cons in facilitating understanding of the regulation of energy metabolism during exercise in the intact organism. PMID:24421861

  20. Baseline composition of solar energetic particles

    SciTech Connect

    Meyer, J.

    1985-01-01

    We analyze all existing spacecraft observations of the highly variable heavy element composition of solar energetic particles (SEP) during non-/sup 3/He-rich events. All data show the imprint of an ever-present basic composition pattern (dubbed ''mass-unbiased baseline'' SEP composition) that differs from the photospheric composition by a simple bias related to first ionization potential (FIP). In each particular observation, this mass-unbiased baseline composition is being distorted by an additional bias, which is always a monotonic function of mass (or Z). This latter bias varies in amplitude and even sign from observation to observation. To first order, it seems related to differences in the A/Z* ratio between elements (Z* = mean effective charge).

  1. Characterization of thermally degraded energetic materials

    SciTech Connect

    Renlund, A.M.; Miller, J.C.; Trott, W.M.; Erickson, K.L.; Hobbs, M.L.; Schmitt, R.G.; Wellman, G.W.; Baer, M.R.

    1997-12-31

    Characterization of the damage state of a thermally degraded energetic material (EM) is a critical first step in understanding and predicting cookoff behavior. Unfortunately, the chemical and mechanical responses of heated EMs are closely coupled, especially if the EM is confined. The authors have examined several EMs in small-scale experiments (typically 200 mg) heated in both constant-volume and constant-load configurations. Fixtures were designed to minimize free volume and to contain gas pressures to several thousand psi. The authors measured mechanical forces or displacements that correlated to thermal expansion, phase transitions, material creep and gas pressurization as functions of temperature and soak time. In addition to these real-time measurements, samples were recovered for postmortem examination, usually with scanning electron microscopy (SEM) and chemical analysis. The authors present results on EMs (HMX and TATB), with binders (e.g., PBX 9501, PBX 9502, LX-14) and propellants (Al/AP/HTPB).

  2. Energetic Compounds for Future Space Applications

    NASA Astrophysics Data System (ADS)

    Davenas, A.; Jacob, G.; Longevialle, Y.; Pérut, C.

    2004-10-01

    The need for new rocket propellants to improve or replace those in use today has led during the past ten years to studies of various, ancient or relatively new, energetic ingredients. The most often mentioned compounds for solid propellants are ADN (ammonium dinitramide), the nitramines RDX and HMX, HNIW (hexanitro hexaaza isowurtzitane), HNF (hydrazinum nitroformate), GAP (glycidyl azide polymer), and high nitrogen compounds. ADN, HNF, HAN (hydroxylammonium nitrate) are mentioned as possible ingredients in liquid mono and bi propellants for the future. A review of the work being conducted in the development and testing of the candidate propellants as well as an analysis of the general constraints of the industrial use and handling of these propellants and of their basic ingredients allows for a first tentative selection of the most promising ingredients. The possible synthesis routes, main characteristics, production and cost perspectives of these compounds are summarized and discussed.

  3. STEREO Observations of Solar Energetic Particles

    NASA Technical Reports Server (NTRS)

    vonRosenvinge, Tycho; Christian, Eric; Cohen, Christina; Leske, Richard; Mewaldt, Richard; Stone, Edward; Wiedenbeck, Mark

    2011-01-01

    We report on observations of Solar Energetic Particle (SEP) events as observed by instruments on the STEREO Ahead and Behind spacecraft and on the ACE spacecraft. We will show observations of an electron event observed by the STEREO Ahead spacecraft on June 12, 2010 located at W74 essentially simultaneously with electrons seen at STEREO Behind at E70. Some similar events observed by Helios were ascribed to fast electron propagation in longitude close to the sun. We will look for independent verification of this possibility. We will also show observations of what appears to be a single proton event with very similar time-history profiles at both of the STEREO spacecraft at a similar wide separation. This is unexpected. We will attempt to understand all of these events in terms of corresponding CME and radio burst observations.

  4. Photoelectric detection electric arc in energetic arrangements

    NASA Astrophysics Data System (ADS)

    Leks, Jan

    2001-08-01

    The evolution of photoelectric converter, fiber optics and integrated circuits, in particular optic detectors, increases area of applying of the industrial measuring and control systems that used IR detectors. One of the more important is optic detection of electric arc in industrial energetic arrangements. That kind of detection is sure, easy to apply in existing industrial apparatus a d it is cheaper than another way of detection. Additionally optic detection of electric arc is safety for attendance persons and may work on computer system. The article presents an example of circuit with semiconductor IR photoelectric detector to detection of electric arc and points at the most important questions which should be taken into consideration in designing instruments like described one.

  5. Effect of Sawtooth Oscillations on Energetic Ions

    SciTech Connect

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

    1999-12-10

    The work summarizes results of the authors' studies on the energetic ion transport induced by sawtooth oscillations in tokamaks. The main attention is paid to description of physical mechanisms responsible for the transport. In addition to overview, the work contains new material. The new results concern the resonant interaction of the particles and the electromagnetic field of the sawtooth crash. In particular, it is discovered that the dominant harmonic of the crash (m = n = 1) can lead to stochastic motion of particles having large orbit width (potatoes). Regular motion of potatoes and quasi-stagnation particles in the presence of an n = 1 mode is studied, and their characteristic displacements associated with quick switching on/off the mode are found.

  6. Energetics of life on the deep seafloor

    PubMed Central

    McClain, Craig R.; Allen, Andrew P.; Tittensor, Derek P.; Rex, Michael A.

    2012-01-01

    With frigid temperatures and virtually no in situ productivity, the deep oceans, Earth’s largest ecosystem, are especially energy-deprived systems. Our knowledge of the effects of this energy limitation on all levels of biological organization is very incomplete. Here, we use the Metabolic Theory of Ecology to examine the relative roles of carbon flux and temperature in influencing metabolic rate, growth rate, lifespan, body size, abundance, biomass, and biodiversity for life on the deep seafloor. We show that the relative impacts of thermal and chemical energy change across organizational scales. Results suggest that individual metabolic rates, growth, and turnover proceed as quickly as temperature-influenced biochemical kinetics allow but that chemical energy limits higher-order community structure and function. Understanding deep-sea energetics is a pressing problem because of accelerating climate change and the general lack of environmental regulatory policy for the deep oceans. PMID:22949638

  7. Comparison of Forecast and Observed Energetics

    NASA Technical Reports Server (NTRS)

    Baker, W. E.; Brin, Y.

    1985-01-01

    An energetics analysis scheme was developed to compare the observed kinetic energy balance over North America with that derived from forecast cyclone case. It is found that: (1) the observed and predicted kinetic energy and eddy conversion are in good qualitative agreement, although the model eddy conversion tends to be 2 to 3 times stronger than the observed values. The eddy conversion which is stronger in the 12 h forecast than in observations and may be due to several factors is studied; (2) vertical profiles of kinetic energy generation and dissipation exhibit lower and upper tropospheric maxima in both the forecast and observations; and (3) a lag in the observational analysis with the maximum in the observed kinetic energy occurring at 0000 GMT 14 January over the same region as the maximum Eddy conversion 12 h earlier is noted.

  8. Comparison of Forecast and Observed Energetics

    NASA Technical Reports Server (NTRS)

    Baker, W. E.; Brin, Y.

    1984-01-01

    An energetics analysis scheme was developed to compare the observed kinetic energy balance over North America with that derived from forecast fields of the GLAS fourth order model for the 13 to 15 January 1979 cyclone case. It is found that: (1) the observed and predicted kinetic energy and eddy conversion are in good qualitative agreement, although the model eddy conversion tends to be 2 to 3 times stronger than the observed values. The eddy conversion which is stronger in the 12 h forecast than in observations and may be due to several factors is studied; (2) vertical profiles of kinetic energy generation and dissipation exhibit lower and upper tropospheric maxima in both the forecast and observations; (3) a lag in the observational analysis with the maximum in the observed kinetic energy occurring at 0000 GMT 14 January over the same region as the maximum ddy conversion 12 h earlier is noted.

  9. Energetic particles in the jovian magnetotail.

    PubMed

    McNutt, R L; Haggerty, D K; Hill, M E; Krimigis, S M; Livi, S; Ho, G C; Gurnee, R S; Mauk, B H; Mitchell, D G; Roelof, E C; McComas, D J; Bagenal, F; Elliott, H A; Brown, L E; Kusterer, M; Vandegriff, J; Stern, S A; Weaver, H A; Spencer, J R; Moore, J M

    2007-10-12

    When the solar wind hits Jupiter's magnetic field, it creates a long magnetotail trailing behind the planet that channels material out of the Jupiter system. The New Horizons spacecraft traversed the length of the jovian magnetotail to >2500 jovian radii (RJ; 1 RJ identical with 71,400 kilometers), observing a high-temperature, multispecies population of energetic particles. Velocity dispersions, anisotropies, and compositional variation seen in the deep-tail (greater, similar 500 RJ) with a approximately 3-day periodicity are similar to variations seen closer to Jupiter in Galileo data. The signatures suggest plasma streaming away from the planet and injection sites in the near-tail region (approximately 200 to 400 RJ) that could be related to magnetic reconnection events. The tail structure remains coherent at least until it reaches the magnetosheath at 1655 RJ. PMID:17932283

  10. Energetics of RHESSI X-Class Flares

    NASA Technical Reports Server (NTRS)

    Dennis, Brian R.; Haga, Leah; Holman, Gordon D.; Hudson, Hugh

    2005-01-01

    The thermal and nonthermal energies of several X-class flares seen with the Reuven Ramaty High Energy Solar Spectroscopic Imager (RHESSI) will be presented. The same techniques described by Emslie et al. (JGR, 109, A10104, 2004) are used to take the RHESSI imaging spectroscopic observations and compute the energies in the thermal plasma and in the nonthermal electrons as a function of time throughout the flares. Radiative and conductive cooling rates are estimated and total thermal and nonthermal energies are computed for each flare. Typically, the energy in nonthermal electrons integrated up to the time of peak soft X-ray emission is equal to or exceeds the energy in the thermal plasma at that time. This suggests that energy must have been converted into a form not visible with RHESSI and that the total energy released by the flares may be significantly greater than the sum of energies calculated from the RHESSI observations alone. This conclusion is supported by the high radiative energy seen with SORCE during the impulsive phase of the 28 October 2003 flare. The peak increase in total solar irradiance of 270 mW per square meters measured with SORCE was over two orders of magnitude higher than the peak soft X-ray flux seen with GOES or RHESSI. The implications of this new observation as compared to the energetics derived from the X-ray observations of that flare will be discussed along with the energetics analysis of most of the other X- class flares in October/November 2003.

  11. Energetic dose: Beyond fire and flint?

    USGS Publications Warehouse

    Linder, G.; Rattner, B.; Cohen, J.

    2000-01-01

    Nutritional and bioenergetic interactions influence exposure to environmental chemicals and may affect the risk realized when wildlife are exposed in the field. Here, food-chain analysis focuses on prairie voles (Microtus ochrogaster) and the evaluation of chemical risks associated with paraquat following 10-d dietary exposures. Reproductive effects were measured in 60-d trials that followed exposures to paraquat-tainted feed: control (untainted feed); 21 mg paraquat/kg feed; 63 mg paraquat/kg feed; and feed-restricted control (untainted feed restricted to 60% baseline consumption). Reproductive success was evaluated in control and treated breeding pairs, and a preliminary bioenergetics analysis was completed in parallel to derive exposure dose. Although reproductive performance differed among groups, feed-restriction appeared to be the dominant treatment effect observed in these 10-d feeding exposure/limited reproductive trials. Exposure dose ranged from 3.70-3.76 to 9.41-11.51 mg parquat/kg BW/day at 21 and 63 mg paraquat/kg feed stock exposures, respectively. Energetic doses as ug paraquat/kcal yielded preliminary estimates of energetic costs associated with paraquat exposure, and were similar within treatments for both sexes, ranging from 4.2-5.5 and 13.1-15.0 ug paraquat/kcal for voles exposed to 21 mg/kg feed stock and 63 mg/kg feed stock, respectively. Given the increasing likelihood that environmental chemicals will be found in wildlife habitat at 'acceptable levels', the critical role that wildlife nutrition plays in evaluating ecological risks should be fully integrated into the assessment process. Tools applied to the analysis of risk must gain higher resolution than the relatively crude methods we currently bring to the process.

  12. The Energetics and Symmetry of Quasicrystals.

    NASA Astrophysics Data System (ADS)

    Narasimhan, Subha

    In a dramatic experiment in 1984, Shechtman and co-workers observed electron diffraction patterns in rapidly cooled Al-Mn alloys, exhibiting non-crystallographic symmetry, contrary to the conventional wisdom that solid structures could be broadly classified as glassy or amorphous, and crystalline. This and subsequent experiments have spurred an intense effort by the condensed matter physics community into understanding the nature and origin of solid structures, particularly in the light of earlier abstract mathematical structures ("tilings"), invented by Penrose and others, that are space filling but non-periodic and non-random in nature. This dissertation aims at understanding the energetics and symmetry of these "quasi-crystalline" structures. It consists of two parts. In the first part, the energetics of various observed quasi-crystalline phases have been studied by using a type of phenomenological Ginzburg-Landau theory that has been successful in predicting the qualitative features of a wide variety of phase transitions. It is found that qualitative agreement with experiment can indeed be had regarding the relative stability of these phases. The model also predicts the most likely equilibrium structure in various regimes of parameter space. The second part is focussed towards understanding the symmetries of the density function of these phases, the symmetry of the hydrodynamic degrees of freedom, the structure of the reciprocal lattice and so on. The harmonic elastic energy, invariant under the point group of the diffraction pattern is constructed for each of the observed phases. Finally, a formalism is developed for determining the various reciprocal lattices possible with a given arbitrary point group symmetry. It is then applied to the cases of 2D Pentagonal and 3D Icosahedral structures.

  13. SAMPEX: New Insights into Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Klecker, B.

    2012-12-01

    One of the scientific objectives of SAMPEX (Solar, Anomalous, Magnetospheric Particle EXplorer) was the study of solar energetic particles (SEPs). The low altitude high inclination (82°) orbit of SAMPEX was selected in part to measure SEPs and interplanetary particles (e.g. related to corotating interaction regions) over the polar caps, and to provide the unique capability of determining their charge states, utilizing the rigidity dependent cutoff of the magnetic field of the Earth. The four instruments onboard SAMPEX were novel ion and electron detectors with unprecedented sensitivity, with geometric factors of up to 100 cm2 sr, providing measurements of solar and interplanetary particles with elemental and isotopic resolution over a wide energy range (~0.3 to 70 MeV/nuc for Fe). The high sensitivity of the SAMPEX instrumentation combined with using Earth's magnetic field as a M/Q spectrometer provided the first (and so far only) direct SEP ionic charge measurements at energies up to 10s of MeV/nuc. These measurements showed for the first time evidence of an energy dependence of the mean charge of solar energetic particles, suggesting multiple sources in large SEP events and ion stripping in the low corona. The high sensitivity of the SAMPEX instruments also allowed the measurement of energy spectra over a wide energy range, showing characteristic differences in spectral breaks in large SEP events, and systematic enrichment of heavy isotopes in 3He-rich events. Furthermore, the high time resolution SEP measurements from the polar cap to low latitudes provided an ideal tool to study dynamic variations of the Earth's large scale magnetic field, by measuring cutoff variations during large SEP events. This talk will give an overview of the contributions of SAMPEX to our present understanding of SEPs and also summarize related SAMPEX highlights.

  14. Structural energetics of the molten globule state.

    PubMed

    Haynie, D T; Freire, E

    1993-06-01

    Certain partly ordered protein conformations, commonly called "molten globule states," are widely believed to represent protein folding intermediates. Recent structural studies of molten globule states of different proteins have revealed features which appear to be general in scope. The emerging consensus is that these partly ordered forms exhibit a high content of secondary structure, considerable compactness, nonspecific tertiary structure, and significant structural flexibility. These characteristics may be used to define a general state of protein folding called "the molten globule state," which is structurally and thermodynamically distinct from both the native state and the denatured state. Despite extensive knowledge of structural features of a few molten globule states, a cogent thermodynamic argument for their stability has not yet been advanced. The prevailing opinion of the last decade was that there is little or no enthalpy difference or heat capacity difference between the molten globule state and the unfolded state. This view, however, appears to be at variance with the existing database of protein structural energetics and with recent estimates of the energetics of denaturation of alpha-lactalbumin, cytochrome c, apomyoglobin, and T4 lysozyme. We discuss these four proteins at length. The results of structural studies, together with the existing thermodynamic values for fundamental interactions in proteins, provide the foundation for a structural thermodynamic framework which can account for the observed behavior of molten globule states. Within this framework, we analyze the physical basis for both the high stability of several molten globule states and the low probability of other potential folding intermediates. Additionally, we consider, in terms of reduced enthalpy changes and disrupted cooperative interactions, the thermodynamic basis for the apparent absence of a thermally induced, cooperative unfolding transition for some molten globule

  15. Modeling Atmospheric Energy Deposition (by energetic ions)

    NASA Astrophysics Data System (ADS)

    Parkinson, C. D.; Brain, D. A.; Lillis, R. J.; Liemohn, M. W.; Bougher, S. W.

    2011-12-01

    The structure, dynamics, chemistry, and evolution of planetary upper atmospheres are in large part determined by the available sources of energy. In addition to the solar EUV flux, the solar wind and solar energetic particle (SEP) events are also important sources. Both of these particle populations can significantly affect an atmosphere, causing atmospheric loss and driving chemical reactions. Attention has been paid to these sources from the standpoint of the radiation environment for humans and electronics, but little work has been done to evaluate their impact on planetary atmospheres. At unmagnetized planets or those with crustal field anomalies, in particular, the solar wind and SEPs of all energies have direct access to the atmosphere and so provide a more substantial energy source than at planets having protective global magnetic fields. Additionally, solar wind and energetic particle fluxes should be more significant for planets orbiting more active stars, such as is the case in the early history of the solar system for paleo-Venus and Mars. Therefore quantification of the atmospheric energy input from the solar wind and SEP events is an important component of our understanding of the processes that control their state and evolution. Such modeling has been previously done for Earth, Mars and Jupiter using a guiding center precipitation model with extensive collisional physics. Currently, this code is only valid for particles with small gyroradii in strong uniform magnetic fields. There is a clear necessity for a Lorentz formulation that can perform calculations for cases where there is only a weak or nonexistent magnetic field that includes detailed physical interaction with the atmosphere (i.e. collisional physics). We show initial efforts to apply a full Lorentz motion particle transport model to study the effects of particle precipitation in the upper atmospheres of Venus, Mars, and Titan. A systematic study of the ionization, excitation, and energy

  16. Solar Energetic Particles Trapping in the Magnetosphere

    NASA Astrophysics Data System (ADS)

    Engel, M.; Larsen, B. A.

    2011-12-01

    Solar energetic particles (SEPs) are protons, electrons, and heavy ions emitted from the Sun with energies spanning tens of keV to GeV. They are episodic and associated with energetic events at the Sun such as coronal mass ejections. Importantly, they can be injected into and trapped by the Earth's magnetosphere, forming transient new, intense radiation belts that can severely damage components of our space infrastructure and cause significant backgrounds in instruments on national security and other payloads. Our goal is to understand the conditions under which SEPs become trapped and untrapped in the magnetosphere, how trapping depends on the energy distribution of the trapped particles, and if we can predict the location and persistence of these new radiation belts. Previous studies have shown how trapping can occur for individual shock-driven events but do not explore the overall magnetospheric conditions that can lead to SEP trapping and cannot predict trapped population energy spectra, location, or provide a probabilistic model trapping likelihood. Using events spanning 10 years, we will correlate the magnetospheric conditions that affect trapping and dumping. The results of this study will attempt to answer the questions: What fraction of injected SEPs are trapped,forming new, persistent radiation belts? Is there a geomagnetic field preconditioning required for injected SEPs to be trapped or untrapped? What does the energy distribution of injected SEPs relative to their trapped distribution tell us about the underlying physics of trapping? What is the probability of trapping injected SEPs based on different magnetospheric conditions, and can we use this probability as a predictive tool?

  17. Rocket measurements of energetic particles in the midlatitude precipitation zone

    NASA Technical Reports Server (NTRS)

    Voss, H. D.; Smith, L. G.; Braswell, F. M.

    1980-01-01

    Measurements of energetic ion and electron properties as a function of altitude in the midlatitude zone of nighttime energetic particle precipitation are reported. The measurements of particle fluxes, energy spectra and pitch angle distributions were obtained by a Langmuir probe, six energetic particle spectrometers and an electrostatic analyzer on board a Nike Apache rocket launched near the center of the midlatitude zone during disturbed conditions. It is found that the incident flux was primarily absorbed rather than backscattered, and consists of mainly energetic hydrogen together with some helium and a small energetic electron component. Observed differential energy spectra of protons having an exponential energy spectrum, and pitch angle distributions at various altitudes indicate that the energetic particle flux decreases rapidly for pitch angles less than 70 deg. An energetic particle energy flux of 0.002 ergs/sq cm per sec is calculated which indicates the significance of energetic particles as a primary nighttime ionization source for altitudes between 120 and 200 km in the midlatitude precipitation zone.

  18. Remote detection of traces of high energetic materials

    NASA Astrophysics Data System (ADS)

    Bobrovnikov, S. M.; Gorlov, E. V.; Zharkov, V. I.; Panchenko, Yu. N.

    2015-11-01

    The possibility of remote detection of traces of high energetic materials using laser fragmentation/laser-induced fluorescence (LF/LIF) method is studied. Experimental data on the remote visualization of traces of trinitrotoluene, hexogen, composition B, octogen, and tetryl obtained at a distance of 5 m with a scanning lidar detector of traces of high energetic materials are presented.

  19. Low energy energetic neutral atom imaging in the Jovian system

    NASA Astrophysics Data System (ADS)

    Futaana, Yoshifumi; Wieser, Martin; Barabash, Stas

    2013-04-01

    We modeled low energy energetic neutral atoms fluxes originating from the interaction of Jovian magnetospheric plasma with the surface of Ganymede and from charge exchange reactions in the Io torus. We then calculated the instrument response of the Jovian Neutrals Analyzer instrument (JNA) to these fluxes. JNA is part of the proposed Particle Environment Package (PEP) for ESA's JUICE mission and is based on the Energetic Neutral Atom instrument (ENA) built for the BepiColombo Magnetospheric Orbiter. JNA is an imaging energetic neutral atom instrument for energies from 10eV to 3.3keV and it provides angular as well as mass resolution for major neutral species. Depending on magnetic field configuration magnetospheric plasma is able to precipitate onto the surface of Ganymede. The plasma surface interaction produces energetic neutral atoms by backscattering and/or sputtering that travel on ballistic trajectories. Imaging of the energetic neutral atoms fluxes allows to remotely study the precipitation pattern onto the surface, its dependence on magnetic field configuration and its evolution over time. Simulated JNA images are shown for typical conditions. Energetic neutral atoms are also generated by charge exchange reactions in the Io torus. Energetic neutral atoms allow us to study torus dynamics remotely. We show expected energetic neutral atoms fluxes and simulated JNA data from imaging the Io torus from a vantage point outside of Europa's orbit well reachable by the JUICE mission.

  20. Synthesis and Characterization of Mixed Metal Oxide Nanocomposite Energetic Materials

    SciTech Connect

    Gash, A; Pantoya, M; Jr., J S; Zhao, L; Shea, K; Simpson, R; Clapsaddle, B

    2003-11-18

    In the field of composite energetic materials, properties such as ingredient distribution, particle size, and morphology, affect both sensitivity and performance. Since the reaction kinetics of composite energetic materials are typically controlled by the mass transport rates between reactants, one would anticipate new and potentially exceptional performance from energetic nanocomposites. We have developed a new method of making nanostructured energetic materials, specifically explosives, propellants, and pyrotechnics, using sol-gel chemistry. A novel sol-gel approach has proven successful in preparing metal oxide/silicon oxide nanocomposites in which the metal oxide is the major component. Two of the metal oxides are tungsten trioxide and iron(III) oxide, both of which are of interest in the field of energetic materials. Furthermore, due to the large availability of organically functionalized silanes, the silicon oxide phase can be used as a unique way of introducing organic additives into the bulk metal oxide materials. As a result, the desired organic functionality is well dispersed throughout the composite material on the nanoscale. By introducing a fuel metal into the metal oxide/silicon oxide matrix, energetic materials based on thermite reactions can be fabricated. The resulting nanoscale distribution of all the ingredients displays energetic properties not seen in its microscale counterparts due to the expected increase of mass transport rates between the reactants. The synthesis and characterization of these metal oxide/silicon oxide nanocomposites and their performance as energetic materials will be discussed.

  1. Energetic adaptations persist after bariatric surgery in severely obese adolescents

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Energetic adaptations induced by bariatric surgery have not been studied in adolescents or for extended periods postsurgery. Energetic, metabolic, and neuroendocrine responses to Roux-en-Y gastric bypass (RYGB) surgery were investigated in extremely obese adolescents. At baseline and at 1.5, 6, and...

  2. Energetic particle physics with applications in fusion and space plasmas

    SciTech Connect

    Cheng, C.Z.

    1997-05-01

    Energetic particle physics is the study of the effects of energetic particles on collective electromagnetic (EM) instabilities and energetic particle transport in plasmas. Anomalously large energetic particle transport is often caused by low frequency MHD instabilities, which are driven by these energetic particles in the presence of a much denser background of thermal particles. The theory of collective energetic particle phenomena studies complex wave-particle interactions in which particle kinetic physics involving small spatial and fast temporal scales can strongly affect the MHD structure and long-time behavior of plasmas. The difficulty of modeling kinetic-MHD multiscale coupling processes stems from the disparate scales which are traditionally analyzed separately: the macroscale MHD phenomena are studied using the fluid MHD framework, while microscale kinetic phenomena are best described by complicated kinetic theories. The authors have developed a kinetic-MHD model that properly incorporates major particle kinetic effects into the MHD fluid description. For tokamak plasmas a nonvariational kinetic-MHD stability code, the NOVA-K code, has been successfully developed and applied to study problems such as the excitation of fishbone and Toroidal Alfven Eigenmodes (TAE) and the sawtooth stabilization by energetic ions in tokamaks. In space plasmas the authors have employed the kinetic-MHD model to study the energetic particle effects on the ballooning-mirror instability which explains the multisatellite observation of the stability and field-aligned structure of compressional Pc 5 waves in the magnetospheric ring current plasma.

  3. Scalable coherent interface

    SciTech Connect

    Alnaes, K.; Kristiansen, E.H. ); Gustavson, D.B. ); James, D.V. )

    1990-01-01

    The Scalable Coherent Interface (IEEE P1596) is establishing an interface standard for very high performance multiprocessors, supporting a cache-coherent-memory model scalable to systems with up to 64K nodes. This Scalable Coherent Interface (SCI) will supply a peak bandwidth per node of 1 GigaByte/second. The SCI standard should facilitate assembly of processor, memory, I/O and bus bridge cards from multiple vendors into massively parallel systems with throughput far above what is possible today. The SCI standard encompasses two levels of interface, a physical level and a logical level. The physical level specifies electrical, mechanical and thermal characteristics of connectors and cards that meet the standard. The logical level describes the address space, data transfer protocols, cache coherence mechanisms, synchronization primitives and error recovery. In this paper we address logical level issues such as packet formats, packet transmission, transaction handshake, flow control, and cache coherence. 11 refs., 10 figs.

  4. TSF Interface Package

    Energy Science and Technology Software Center (ESTSC)

    2004-03-01

    A collection of packages of classes for interfacing to sparse and dense matrices, vectors and graphs, and to linear operators. TSF (via TSFCore, TSFCoreUtils and TSFExtended) provides the application programmer interface to any number of solvers, linear algebra libraries and preconditioner packages, providing also a sophisticated technique for combining multiple packages to solve a single problem. TSF provides a collection of abstract base classes that define the interfaces to abstract vector, matrix and linear soeratormore » objects. By using abstract interfaces, users of TSF are not limiting themselves to any one concrete library and can in fact easily combine multiple libraries to solve a single problem.« less

  5. Implantable microscale neural interfaces.

    PubMed

    Cheung, Karen C

    2007-12-01

    Implantable neural microsystems provide an interface to the nervous system, giving cellular resolution to physiological processes unattainable today with non-invasive methods. Such implantable microelectrode arrays are being developed to simultaneously sample signals at many points in the tissue, providing insight into processes such as movement control, memory formation, and perception. These electrode arrays have been microfabricated on a variety of substrates, including silicon, using both surface and bulk micromachining techniques, and more recently, polymers. Current approaches to achieving a stable long-term tissue interface focus on engineering the surface properties of the implant, including coatings that discourage protein adsorption or release bioactive molecules. The implementation of a wireless interface requires consideration of the necessary data flow, amplification, signal processing, and packaging. In future, the realization of a fully implantable neural microsystem will contribute to both diagnostic and therapeutic applications, such as a neuroprosthetic interface to restore motor functions in paralyzed patients. PMID:17252207

  6. A direct search for energetic electrons produced by laboratory sparks

    NASA Astrophysics Data System (ADS)

    Carlson, B. E.; Kochkin, P.; van Deursen, A. P. J.; Hansen, R.; Gjesteland, T.; Ostgaard, N.

    2012-04-01

    High-voltage sparks in the lab unexpectedly emit x-rays with energies up to several hundred keV. These x-rays have been observed repeatedly and can only be produced by bremsstrahlung, impling the presence of a population of energetic electrons. Such energetic electron and x-ray production may be important for the physics of streamers, spark discharges, and lightning, and has been suggested as directly related to the production of terrestrial gamma-ray flashes. We present the results of the first direct search for energetic electrons produced by a lab spark. Small electrically-isolated scintillators are placed at various locations near the spark gap of a 2 MV Marx generator and the resulting signals are recorded. We present results on the spatial, temporal, and statistical variability of signals produced by energetic electrons and compare our results to predictions of energetic electron production from the literature.

  7. Polarizable Ions at Interfaces

    NASA Astrophysics Data System (ADS)

    Levin, Yan

    2009-04-01

    A nonperturbative theory is presented which allows us to calculate the solvation free energy of polarizable ions near water-vapor and water-oil interfaces. The theory predicts that larger halogen anions are adsorbed at the interface, while the alkali metal cations are repelled from it. The density profiles calculated theoretically are similar to those obtained using molecular dynamics simulations with polarizable force fields.

  8. Performance Application Programming Interface

    Energy Science and Technology Software Center (ESTSC)

    2005-10-31

    PAPI is a programming interface designed to provide the tool designer and application engineer with a consistent interface and methodology for use of the performance counter hardware found in most major microprocessors. PAPI enables software engineers to see, in near real time, the relation between software performance and processor events. This release covers the hardware dependent implementation of PAPI version 3 for the IBM BlueGene/L (BG/L) system.

  9. VIRTUAL FRAME BUFFER INTERFACE

    NASA Technical Reports Server (NTRS)

    Wolfe, T. L.

    1994-01-01

    Large image processing systems use multiple frame buffers with differing architectures and vendor supplied user interfaces. This variety of architectures and interfaces creates software development, maintenance, and portability problems for application programs. The Virtual Frame Buffer Interface program makes all frame buffers appear as a generic frame buffer with a specified set of characteristics, allowing programmers to write code which will run unmodified on all supported hardware. The Virtual Frame Buffer Interface converts generic commands to actual device commands. The virtual frame buffer consists of a definition of capabilities and FORTRAN subroutines that are called by application programs. The virtual frame buffer routines may be treated as subroutines, logical functions, or integer functions by the application program. Routines are included that allocate and manage hardware resources such as frame buffers, monitors, video switches, trackballs, tablets and joysticks; access image memory planes; and perform alphanumeric font or text generation. The subroutines for the various "real" frame buffers are in separate VAX/VMS shared libraries allowing modification, correction or enhancement of the virtual interface without affecting application programs. The Virtual Frame Buffer Interface program was developed in FORTRAN 77 for a DEC VAX 11/780 or a DEC VAX 11/750 under VMS 4.X. It supports ADAGE IK3000, DEANZA IP8500, Low Resolution RAMTEK 9460, and High Resolution RAMTEK 9460 Frame Buffers. It has a central memory requirement of approximately 150K. This program was developed in 1985.

  10. Interfaces: nanometric dielectrics

    NASA Astrophysics Data System (ADS)

    Lewis, T. J.

    2005-01-01

    The incorporation of nanometric size particles in a matrix to form dielectric composites shows promise of materials (nanodielectrics) with new and improved properties. It is argued that the properties of the interfaces between the particles and the matrix, which will themselves be of nanometric dimensions, will have an increasingly dominant role in determining dielectric performance as the particle size decreases. The forces that determine the electrical and dielectric properties of interfaces are considered, with emphasis on the way in which they might influence composite behaviour. A number of examples are given in which interfaces at the nanometric level exercise both passive and active control over dielectric, optical and conductive properties. Electromechanical properties are also considered, and it is shown that interfaces have important electrostrictive and piezoelectric characteristics. It is demonstrated that the process of poling, namely subjecting macroscopic composite materials to electrical stress and raised temperatures to create piezoelectric materials, can be explained in terms of optimizing the collective response of the nanometric interfaces involved. If the electrical and electromechanical features are coupled to the long-established electrochemical properties, interfaces represent highly versatile active elements with considerable potential in nanotechnology.

  11. MER SPICE Interface

    NASA Technical Reports Server (NTRS)

    Sayfi, Elias

    2004-01-01

    MER SPICE Interface is a software module for use in conjunction with the Mars Exploration Rover (MER) mission and the SPICE software system of the Navigation and Ancillary Information Facility (NAIF) at NASA's Jet Propulsion Laboratory. (SPICE is used to acquire, record, and disseminate engineering, navigational, and other ancillary data describing circumstances under which data were acquired by spaceborne scientific instruments.) Given a Spacecraft Clock value, MER SPICE Interface extracts MER-specific data from SPICE kernels (essentially, raw data files) and calculates values for Planet Day Number, Local Solar Longitude, Local Solar Elevation, Local Solar Azimuth, and Local Solar Time (UTC). MER SPICE Interface was adapted from a subroutine, denoted m98SpiceIF written by Payam Zamani, that was intended to calculate SPICE values for the Mars Polar Lander. The main difference between MER SPICE Interface and m98SpiceIf is that MER SPICE Interface does not explicitly call CHRONOS, a time-conversion program that is part of a library of utility subprograms within SPICE. Instead, MER SPICE Interface mimics some portions of the CHRONOS code, the advantage being that it executes much faster and can efficiently be called from a pipeline of events in a parallel processing environment.

  12. Serial interface controller

    SciTech Connect

    Kandasamy, A.

    1995-04-14

    The idea of building a Serial Interface Controller (SIC) proposed by Paul O`Connor, Instrumentation Division, BNL is to determine the feasibility of incorporating a Serial Interface Controlled CMOS IC`s for charge amplification, shaping, analog storage and multiplexing used in particle detectors for high energy physics experiments. The serial data pumped into the CMOS ICs will be used to control many circuit parameters like digitally controlled gain, shaping time, precision preamplifier calibration circuits and many other parameters like timing discriminators mode of operation. The SIC board built will be tested on a Serial Interface Controlled Digital - to - Analog Convertor, which follows either Motorola`s SPI/QSPI or National Semiconductors Microwire interface technique. The DAC chosen for this was MAXIM`s MAX537, a Quad, 12-bit DAC. The function of this controller can be achieved by using some on-shelf micro-controllers like the Motorola`s MC68HC11, which offers dedicated SPI ports. The drawback encountered in using this controller is the overhead involved in putting together an user interface where the user can dynamically change its settings and load the SIC device. This is very critical in testing fewer number of CMOS IC`s having SIC. The SIC board described here takes care of this dynamic user interface issue.

  13. Hydrodynamic Instabilities at an Oblique Interface

    NASA Astrophysics Data System (ADS)

    Kuranz, Carolyn; di Stefano, Carlos; Wan, W. C.; Drake, R. P.; Malamud, G.; Shimony, A.; Shvarts, D.

    2015-11-01

    Hydrodynamic instabilities are an important phenomenon that have consequences in many high-energy-density systems, including astrophysical systems and inertial confinement fusion experiments. Using the Omega EP laser we have created a sustained shock platform to drive a steady shock wave using a ~ 30 ns laser pulse. Coupled with a Spherical Crystal Imager we have created high-resolution x-ray radiographs to diagnose the evolution of complex hydrodynamic structures. This experiment involves a hydrodynamically unstable interface at an oblique angle so that the Richtmyer-Meshkov and Kelvin-Helmholtz processes are present. A dual-mode perturbation is machined onto the interface and we seek to observe the merging of vertical structures. Preliminary data from recent experiments and simulations results will be shown. This work is funded by the U.S. Department of Energy, through the NNSA-DS and SC-OFES Joint Program in High-Energy-Density Laboratory Plasmas, grant number DE-NA0001840, and the National Laser User Facility Program, grant number DE-NA0002032 and through the Laboratory for Laser Energetics, University of Rochester by the NNSA/OICF under Cooperative Agreement No. DE-NA0001944.

  14. The segregation behavior of manganese and silicon at the coherent interfaces of copper precipitates in ferritic steels

    NASA Astrophysics Data System (ADS)

    Xie, Yao-Ping; Zhao, Shi-Jin

    2014-02-01

    We have performed first-principles calculations to study the segregation behavior of Mn and Si at the interfaces of Cu precipitates in ferritic steels. We find that both the segregation energies of substitutional Mn and Si at the interfaces of the Cu precipitates are negligible. However, the energetics indicate that the self-interstitial dumbbells containing Mn or Si (Mn@SI or Si@SI)

  15. Approach and landing test network interface processor interface control document

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The design requirements are established for all external or interproject interfaces to the Network Interface Processor located in Building 30 at the Lyndon B. Johnson Space Center, Houston, Texas. In addition to external interfaces, software/hardware and special interfaces are also described.

  16. CUSP Energetic Particles: Confinement, Acceleration and Implications

    NASA Technical Reports Server (NTRS)

    Chen, Jiasheng

    1999-01-01

    The cusp energetic particle (CEP) event is a new magnetospheric phenomenon. The events were detected in the dayside cusp for hours, in which the measured helium ions had energies up to 8 MeV. All of these events were associated with a dramatic decrease and large fluctuations in the local magnetic field strength. During January 1999 - December 1999 covered by this report, I have studied the CEP events by analyzing the POLAR, GEOTAIL, and WIND particle and magnetic field data measured during the geomagnetic quiet periods in 1996 and one geomagnetic storm period in 1998. The simultaneous observations indicated that the ion fluxes in the CEP events were higher than that in both the upstream and the downstream from the bow shock. The pitch angle distribution of the helium ions in the CEP events was found to peak around 90 deg. It was found that the mirror parameter, defined as the ratio of the square root of the integration of the parallel turbulent power spectral component over the ultra-low frequency (ULF) ranges to the mean field in the cusp, is correlated with the intensity of the cusp MeV helium flux, which is a measure of the influence of mirroring interactions and an indication of local effect. It was also found that the turbulent power of the local magnetic field in the ultra-low frequency (ULF) ranges is correlated with the intensity of the cusp energetic helium ions. Such ULF ranges correspond to periods of about 0.33-500 seconds that cover the gyroperiods, the bounce periods, and the drift periods of the tens keV to MeV charged particles when they are temporarily confined in the high-altitude dayside cusp. These observations represent a discovery that the high-altitude dayside cusp is a new acceleration and dynamic trapping region of the magnetosphere. The cusp geometry is connected via gradient and curvature drift of these energized ions to the equatorial plasma sheet as close as the geostationary orbit at local midnight. It implies that the dayside cusp is

  17. Energetics of the Ocean's Infrasonic Sound Field.

    NASA Astrophysics Data System (ADS)

    D'Spain, Gerald Lynden

    1990-01-01

    Simultaneous measurements of infrasonic (0.5-20 Hz) particle velocity and pressure made by the Marine Physical Laboratory's freely drifting, independent, and neutrally buoyant Swallow floats are analyzed in terms of the energetics of acoustic fields. The theory of acoustic field energetics is presented and compared to standard data analysis techniques. The properties of the potential and kinetic energy density spectra, and the active and reactive intensity spectra from two deep ocean deployments are discussed. Results indicate that for most of the background sound field data in the midwater column above 1.7 Hz, the potential and kinetic energy density spectra are approximately equal. In one experiment, this is a consequence of the fact that, away from the ocean boundaries, the sound field is locally spatially homogeneous. Spatial homogeneity also implies that the particle velocity cross spectral density matrix is purely real. Near the ocean bottom, the vertical spatial inhomogeneity is statistically significant between 0.6 Hz to 1.4 Hz and 7 Hz to 20 Hz. In the lower band, the pressure autospectrum decreases with increasing distance from the ocean bottom, whereas in the upper band, it increases due to the deep sound channel's ability to trap acoustic energy at the higher infrasonic frequencies. For ship signals, the signal-to-noise ratio in the active intensity magnitude spectrum is 3 to 6 dB greater than in either of the two energy density spectra due to the vector nature of acoustic intensity. Although smaller than the net horizontal flux density above a few hertz, a statistically significant net vertical flux density of energy occurs across the whole frequency band, from the ocean surface into the bottom. The net horizontal flux density for various discrete sources, e.g., a magnitude 4.1 earthquake, a blue whale, and ship -generated harmonic line sets, is discussed. The net horizontal flux density of the background sound field between 5 and 12 Hz may have been

  18. Energetics of Al13 Keggin cluster compounds

    PubMed Central

    Armstrong, Christopher R.; Casey, William H.; Navrotsky, Alexandra

    2011-01-01

    The ϵ-Al13 Keggin aluminum hydroxide clusters are essential models in establishing molecular pathways for geochemical reactions. Enthalpies of formation are reported for two salts of aluminum centered ϵ-Keggin clusters, Al13 selenate, (Na(AlO4)Al12(OH)24(SeO4)4•12H2O) and Al13 sulfate, (NaAlO4Al12(OH)24(SO4)4•12H2O). The measured enthalpies of solution, ΔHsol, at 28 °C in 5 N HCl for the ε-Al13 selenate and sulfate are −924.57 (± 3.83) and −944.30 ( ± 5.66) kJ·mol-1, respectively. The enthalpies of formation from the elements, ΔHf,el, for Al13 selenate and sulfate are −19,656.35 ( ± 67.30) kJ·mol-1, and −20,892.39 ( ± 70.01) kJ·mol-1, respectively. In addition, ΔHf,el for sodium selenate decahydrate was calculated using data from high temperature oxide melt solution calorimetry measurements: −4,006.39 ( ± 11.91) kJ·mol-1. The formation of both ε-Al13 Keggin cluster compounds is exothermic from oxide-based components but energetically unfavorable with respect to a gibbsite-based assemblage. To understand the relative affinity of the ϵ-Keggin clusters for selenate and sulfate, the enthalpy associated with two S-Se exchange reactions was calculated. In the solid state, selenium is favored in the Al13 compound relative to the binary chalcogenate, while in 5 N HCl, sulfur is energetically favored in the cluster compound compared to the aqueous solution. This contribution represents the first thermodynamic study of ε-Al13 cluster compounds and establishes a method for other such molecules, including the substituted versions that have been created for kinetic studies. Underscoring the importance of ε-Al13 clusters in natural and anthropogenic systems, these data provide conclusive thermodynamic evidence that the Al13 Keggin cluster is a crucial intermediate species in the formation pathway from aqueous aluminum monomers to aluminum hydroxide precipitates. PMID:21852572

  19. The energetics of lanthanum tantalate materials

    SciTech Connect

    Forbes, Tori Z.; Nyman, May; Rodriguez, Mark A.; Navrotsky, Alexandra

    2010-11-15

    Lanthanum tantalates are important refractory materials with application in photocatalysis, solid oxide fuel cells, and phosphors. Soft-chemical synthesis utilizing the Lindqvist ion, [Ta{sub 6}O{sub 19}]{sup 8-}, has yielded a new phase, La{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2}. Using the hydrated phase as a starting material, a new lanthanum orthotantalate polymorph was formed by heating to 850 {sup o}C, which converts to a previously reported LaTaO{sub 4} polymorph at 1200 {sup o}C. The stabilities of La{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2} (LaTa-OH), the intermediate LaTaO{sub 4} polymorph (LaTa-850), and the high temperature phase (LaTa-1200) were investigated using high-temperature oxide melt solution calorimetry. The enthalpy of formation from the oxides were calculated from the enthalpies of drop solution to be -87.1{+-}9.6, -94.9{+-}8.8, and -93.1{+-}8.7 kJ/mol for LaTa-OH, LaTa-850, and LaTa-1200, respectively. These results indicate that the intermediate phase, LaTa-850, is the most stable. This pattern of energetics may be related to cation-cation repulsion of the tantalate cations. We also investigated possible LnTaO{sub 4} and Ln{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2} analogues of Ln=Pr, Nd to examine the relationship between cation size and the resulting phases. - Graphical abstract: The energetics of three lanthanum tantalates were investigated by the high-temperature oxide melt solution calorimetry. The enthalpies of formation from the oxides were calculated from the enthalpies of drop solution to be -87.1{+-}9.6, -94.9{+-}8.8, and -93.1{+-}8.7 kJ/mol for La{sub 2}Ta{sub 2}O{sub 7}(OH){sub 2}, LaTaO{sub 4} (850 {sup o}C), and LaTaO{sub 4} (1200 {sup o}C), respectively. These results indicate that the intermediate phase, LaTaO{sub 4} (850 {sup o}C), is the most stable in energy. Display Omitted

  20. Environmental materials and interfaces

    SciTech Connect

    Not Available

    1991-11-01

    A workshop that explored materials and interfaces research needs relevant to national environmental concerns was conducted at Pacific Northwest Laboratory. The purposes of the workshop were to refine the scientific research directions being planned for the Materials and Interface Program in the Molecular Science Research Center (MSRC) and further define the research and user equipment to the included as part of the proposed Environmental and Molecular Science Laboratory (EMSL). Three plenary information sessions served to outline the background, objectives, and status of the MSRC and EMSL initiatives; selected specific areas with environmentally related materials; and the status of capabilities and facilities planned for the EMSL. Attention was directed to four areas where materials and interface science can have a significant impact on prevention and remediation of environmental problems: in situ detection and characterization of hazardous wastes (sensors), minimization of hazardous waste (separation membranes, ion exchange materials, catalysts), waste containment (encapsulation and barrier materials), and fundamental understanding of contaminant transport mechanisms. During all other sessions, the participants were divided into three working groups for detailed discussion and the preparation of a written report. The working groups focused on the areas of interface structure and chemistry, materials and interface stability, and materials synthesis. These recommendations and suggestions for needed research will be useful for other researchers in proposing projects and for suggesting collaborative work with MSRC researchers. 1 fig.

  1. Energetic ion acceleration during magnetic reconnection in the Earth's magnetotail

    NASA Astrophysics Data System (ADS)

    Imada, Shinsuke; Hirai, Mariko; Hoshino, Masahiro

    2015-12-01

    In this paper, we present a comprehensive study of the energetic ion acceleration during magnetic reconnection in the Earth's magnetosphere using the Geotail data. A clear example of the energetic ion acceleration up to 1 MeV around an X-type neutral line is shown. We find that the energetic ions are localized at far downstream of reconnection outflow. The time variation of energetic ion and electron is almost the same. We observe ˜100 keV ions over the entire observation period. We study ten events in which the Geotail satellite observed in the vicinity of diffusion region in order to understand the reconnection characteristics that determine the energetic ion acceleration efficiency. We find that the reconnection electric field, total amount of reduced magnetic energy, reconnection rate, satellite location in the Earth's magnetosphere (both X GSM and Y GSM) show high correlation with energetic ion acceleration efficiency. Also, ion temperature, electron temperature, ion/electron temperature ratio, current sheet thickness, and electric field normal to the neutral sheet show low correlation. We do not find any correlation with absolute value of outflow velocity and current density parallel to magnetic field. The energetic ion acceleration efficiency is well correlated with large-scale parameters (e.g., total amount of reduced magnetic energy and satellite location), whereas the energetic electron acceleration efficiency is correlated with small-scale parameters (e.g., current sheet thickness and electric field normal to the neutral sheet). We conclude that the spatial size of magnetic reconnection is important for energetic ion acceleration in the Earth's magnetotail.

  2. A formalism for modeling solid electrolyte/electrode interfaces using first principles methods

    NASA Astrophysics Data System (ADS)

    Lepley, Nicholas; Holzwarth, Natalie

    We describe a scheme based on the interface energy for analyzing interfaces between crystalline solids, quantitatively including the effect of lattice strain. This scheme is applied to the modeling of likely interface geometries of several solid state battery materials including Li metal, Li3PO4, Li3PS4, Li2O, and Li2S. We find that all of the interfaces in this study are stable with the exception of Li3PS4/Li. For this chemically unstable interface, the partial density of states helps to identify mechanisms associated with the interface reactions. We also consider the case of charged defects at the interface, and show that accurately modeling them requires a careful treatment of the resulting electric fields. Our energetic measure of interfaces and our analysis of the band alignment between interface materials indicate multiple factors which may be predictors of interface stability, an important property of solid electrolyte systems. Supported by NSF Grant DMR-1105485 and DMR-1507942.

  3. The impact of surface properties on particle-interface interactions

    NASA Astrophysics Data System (ADS)

    Wang, Anna; Kaz, David; McGorty, Ryan; Manoharan, Vinothan N.

    2013-03-01

    The propensity for particles to bind to oil-water interfaces was first noted by Ramsden and Pickering over a century ago, and has been attributed to the huge reduction in surface energy when a particle breaches an oil-water interface and straddles it at its equilibrium height. Since then materials on a variety of length scales have been fabricated using particles at interfaces, from Pickering emulsions to Janus particles. In these applications, it is simply assumed that the particle sits at its hugely energetically favourable equilibrium position. However, it was recently shown that the relaxation of particles towards their equilibrium position is logarithmic in time and could take months, much longer than typical experiments. Here we investigate how surface charge and particle 'hairiness' impact the interaction between micron-sized particles and oil-water interfaces, and explore a molecular kinetic theory model to help understand these results. We use digital holographic microscopy to track micron-sized particles as they approach an oil-water interface with a resolution of 2 nm in all three dimensions at up to thousands of frames per second.

  4. Energetics diagnosis of numerical simulation of atmospheric blocking

    NASA Technical Reports Server (NTRS)

    Kung, Ernest C.

    1990-01-01

    A series of systematic comprehensive diagnoses of Goddard Laboratory for Atmospheres (GLA) General Circulation Model (GCM) simulation experiments was performed in reference to predictability and energetics of the Northern Hemisphere blocking circulation. The simulation experiments were performed. The following subject areas are also covered: an analysis of simulated summer blocking episodes; energetics examination of winter blocking simulations in the Northern Hemisphere; normal mode energetic and error analysis of GLA GCM simulations with the different horizontal resolutions during a winter month; and simulations of winter blocking episodes using observed sea surface temperatures.

  5. Elemental composition of solar energetic particles in 1977 and 1978

    NASA Technical Reports Server (NTRS)

    Cook, W. R.; Stone, E. C.; Vogt, R. E.; Trainor, J. H.; Webber, W. R.

    1979-01-01

    The elemental composition of energetic nuclei from seven major solar flare events were measured wit the cosmic ray detector systems aboard the Voyager 1 and 2 spacecraft. The energetic nuclei abundances differ significantly from those of photospheric material. They are enhanced relative to the photonsphere by a factor which is the ratio of abundance of an energetic nuclei species (relative to oxygen) over the corresponding abundance of photospheric material. This factor is common to all events and has a nonmonochromatic characteristic dependence on nuclear charge. This factor is roughly ordered by first ionization potential into two groups of elements, metallics and volatiles.

  6. Internal Transport Barrier Driven by Redistribution of Energetic Ions

    SciTech Connect

    K.L. Wong; W.W. Heidbrink; E. Ruskov; C.C. Petty; C.M. Greenfield; R. Nazikian; R. Budny

    2004-11-12

    Alfven instabilities excited by energetic ions are used as a means to reduce the central magnetic shear in a tokamak via redistribution of energetic ions. When the central magnetic shear is low enough, ballooning modes become stable for any plasma pressure gradient and an internal transport barrier (ITB) with a steep pressure gradient can exist. This mechanism can sustain a steady-state ITB as demonstrated by experimental data from the DIII-D tokamak. It can also produce a shear in toroidal and poloidal plasma rotation. Possible application of this technique to use the energetic alpha particles for improvement of burning plasma performance is discussed.

  7. Chemical Conversion of Energetic Materials to Higher Value Products

    SciTech Connect

    Mitchell, A R; Hsu, P C; Coburn, M D; Schmidt, R D; Pagoria, P F; Lee, G S

    2005-04-19

    The objective of this program is to develop new processes for the disposal of surplus energetic materials. Disposal through open burning/open detonation (OB/OD) is considered less attractive today due to environmental, cost and safety concerns. The use of energetic materials as chemical feedstocks for higher value products can provide environmentally sound and cost-effective alternatives to OB/OD. Our recent studies on the conversion of surplus energetic materials (Explosive D, TNT) to higher value products will be described.

  8. Hafnia: Energetics of Thin Films and Nanoparticles

    SciTech Connect

    Zhou, W.; Ushakov, S; Wang, T; Ekerdt, J; Demkov, A; Navrotsky, A

    2010-01-01

    Crystallization energetics of amorphous hafnia powders and thin films on platinum substrates was studied by differential scanning calorimetry and time-resolved high temperature x-ray diffraction. For initially amorphous 25 and 20 nm films from atomic layer deposition, crystallization enthalpy decreases from -38 to -32 kJ/mol, and crystallization temperature increases from 388 to 417 C as thickness decreases. Enthalpy of water vapor adsorption on the surface of monoclinic hafnia was measured for both bulk powder and nanoparticles and was found to vary from -110 to -130 kJ/mol for coverage of -5 H{sub 2}O/nm{sup 2}. The enthalpies of monoclinic hafnia with various surface areas, prepared by crystallization and annealing of an amorphous hafnia precursor, were measured by high temperature oxide melt solution calorimetry. Under the previously used assumption that the interfacial enthalpy is 20% of the surface enthalpy, the surface enthalpy was calculated from experimental data as 2.8 {+-} 0.1 J/m{sup 2} for the hydrated surface and 3.7 {+-} 0.1 J/m{sup 2} for the anhydrous hafnia surface. These values are similar to those measured previously for monoclinic zirconia.

  9. Observed deep energetic eddies by seamount wake

    NASA Astrophysics Data System (ADS)

    Chen, Gengxin; Wang, Dongxiao; Dong, Changming; Zu, Tingting; Xue, Huijie; Shu, Yeqiang; Chu, Xiaoqing; Qi, Yiquan; Chen, Hui

    2015-11-01

    Despite numerous surface eddies are observed in the ocean, deep eddies (a type of eddies which have no footprints at the sea surface) are much less reported in the literature due to the scarcity of their observation. In this letter, from recently collected current and temperature data by mooring arrays, a deep energetic and baroclinic eddy is detected in the northwestern South China Sea (SCS) with its intensity, size, polarity and structure being characterized. It remarkably deepens isotherm at deep layers by the amplitude of ~120 m and induces a maximal velocity amplitude about 0.18 m/s, which is far larger than the median velocity (0.02 m/s). The deep eddy is generated in a wake when a steering flow in the upper layer passes a seamount, induced by a surface cyclonic eddy. More observations suggest that the deep eddy should not be an episode in the area. Deep eddies significantly increase the velocity intensity and enhance the mixing in the deep ocean, also have potential implication for deep-sea sediments transport.

  10. Energetics of glycylglycine transport in Escherichia coli.

    PubMed

    Cowell, J L

    1974-10-01

    The transport system for glycylglycine in Escherichia coli behaves like a shock-sensitive transport system. The initial rate of transport is reduced 85% by subjecting whole cells to osmotic shock, and glycylglycine is not transported by membrane vesicles. The energetics of transport was studied with strain ML 308-225 and its mutant DL-54, which is deficient in Ca(2+)- and Mg(2+)-stimulated adenosine 5'-triphosphatase (EC 3.6.1.3) activity. It is concluded that active transport of glycylglycine, like other shock-sensitive transport systems, has an obligatory requirement for phosphate bond energy, but not for respiration or the energized state of the membrane. The major evidence for this conclusion is as follows. (i) Uptake of glycylglycine is severely inhibited by arsenate. (ii) Oxidizable energy sources such as d-lactate, succinate, and ascorbate, which is mediated by N-methylphenazinium methylsulfate, cannot serve as energy sources for the transport of glycylglycine in DL-54, which lacks oxidative phosphorylation. (iii) When energy is supplied only from adenosine-5'-triphosphate produced by glycolysis (anaerobic transport assays with glucose as the energy source in DL-54), substantial uptake of glycylglycine is observed. (iv) When the Ca(2+)-Mg(2+)-adenosine triphosphatase activity is absent but substrate-level phosphorylations and electron transport are operating (glucose as the energy source in DL-54), transport of glycylglycine shows significant resistance to the uncouplers, dinitrophenol and carbonyl cyanide-p-trifluoromethoxyphenylhydrazone. PMID:4278690

  11. Energetic Particle Observations Near the Termination Shock

    SciTech Connect

    Krimigis, Stamatios M.; Decker, Robert B.; Roelof, Edmond C.; Hill, Matthew E.

    2004-09-15

    The most recent data from Voyager 1 (V1) show that a second event (TS2), apparently associated with the termination shock (TS), is in progress, with spectral characteristics similar to the energetic particle increase observed from 2002.4-2003.1 (TS1). We concentrate on the pressure, composition, and anisotropy profiles of TS1. The magnetic field pressure is significantly smaller than the particle pressure perpendicular to the interplanetary magnetic field (IMF) in the 40-4000 keV range. The composition during the interplanetary shock event (ISE) observed by V1 during 1991 is drastically different from that during TS1 (C/O {approx}0.2 for ISE, {approx}0.02 for TS1). The dominant anisotropy during TS1 is azimuthally in the outward direction for a Parker spiral field, suggesting a source inward of the spacecraft, while the radial anisotropy is consistent with zero (-0.024 {+-} 0.02), implying a slow (<50 km/s) plasma flow speed. We conclude that the totality of the data is consistent with V1 being in the heliosheath during TS1.

  12. Extracellular metabolic energetics can promote cancer progression.

    PubMed

    Loo, Jia Min; Scherl, Alexis; Nguyen, Alexander; Man, Fung Ying; Weinberg, Ethan; Zeng, Zhaoshi; Saltz, Leonard; Paty, Philip B; Tavazoie, Sohail F

    2015-01-29

    Colorectal cancer primarily metastasizes to the liver and globally kills over 600,000 people annually. By functionally screening 661 microRNAs (miRNAs) in parallel during liver colonization, we have identified miR-551a and miR-483 as robust endogenous suppressors of liver colonization and metastasis. These miRNAs convergently target creatine kinase, brain-type (CKB), which phosphorylates the metabolite creatine, to generate phosphocreatine. CKB is released into the extracellular space by metastatic cells encountering hepatic hypoxia and catalyzes production of phosphocreatine, which is imported through the SLC6A8 transporter and used to generate ATP—fueling metastatic survival. Combinatorial therapeutic viral delivery of miR-551a and miR-483-5p through single-dose adeno-associated viral (AAV) delivery significantly suppressed colon cancer metastasis, as did CKB inhibition with a small-molecule inhibitor. Importantly, human liver metastases express higher CKB and SLC6A8 levels and reduced miR-551a/miR-483 levels relative to primary tumors. We identify the extracellular space as an important compartment for malignant energetic catalysis and therapeutic targeting. PMID:25601461

  13. The energetics of anabolism in natural settings.

    PubMed

    LaRowe, Douglas E; Amend, Jan P

    2016-06-01

    The environmental conditions that describe an ecosystem define the amount of energy available to the resident organisms and the amount of energy required to build biomass. Here, we quantify the amount of energy required to make biomass as a function of temperature, pressure, redox state, the sources of C, N and S, cell mass and the time that an organism requires to double or replace its biomass. Specifically, these energetics are calculated from 0 to 125 °C, 0.1 to 500 MPa and -0.38 to +0.86 V using CO2, acetate or CH4 for C, NO3(-) or NH4(+) for N and SO4(2-) or HS(-) for S. The amounts of energy associated with synthesizing the biomolecules that make up a cell, which varies over 39 kJ (g cell)(-1), are then used to compute energy-based yield coefficients for a vast range of environmental conditions. Taken together, environmental variables and the range of cell sizes leads to a ~4 orders of magnitude difference between the number of microbial cells that can be made from a Joule of Gibbs energy under the most (5.06 × 10(11) cells J(-1)) and least (5.21 × 10(7) cells J(-1)) ideal conditions. When doubling/replacement time is taken into account, the range of anabolism energies can expand even further. PMID:26859771

  14. Kinetic transport simulation of energetic particles

    NASA Astrophysics Data System (ADS)

    Sheng, He; Waltz, R. E.

    2016-05-01

    A kinetic transport code (EPtran) is developed for the transport of the energetic particles (EPs). The EPtran code evolves the EP distribution function in radius, energy, and pitch angle phase space (r, E, λ) to steady state with classical slowing down, pitch angle scattering, as well as radial and energy transport of the injected EPs (neutral beam injection (NBI) or fusion alpha). The EPtran code is illustrated by treating the transport of NBI fast ions from high-n ITG/TEM micro-turbulence and EP driven unstable low-n Alfvén eigenmodes (AEs) in a well-studied DIII-D NBI heated discharge with significant AE central core loss. The kinetic transport code results for this discharge are compared with previous study using a simple EP density moment transport code ALPHA (R.E. Waltz and E.M. Bass 2014 Nucl. Fusion 54 104006). The dominant EP-AE transport is treated with a local stiff critical EP density (or equivalent pressure) gradient radial transport model modified to include energy-dependence and the nonlocal effects EP drift orbits. All previous EP transport models assume that the EP velocity space distribution function is not significantly distorted from the classical ‘no transport’ slowing down distribution. Important transport distortions away from the slowing down EP spectrum are illustrated by a focus on the coefficient of convection: EP energy flux divided by the product of EP average energy and EP particle flux.

  15. Energetic protons in the Jovian magnetosphere

    NASA Technical Reports Server (NTRS)

    Mcdonald, F. B.; Schardt, A. W.; Trainor, J. H.

    1979-01-01

    The time histories, angular distributions and energy spectra of energetic protons were measured over an energy range extending from 0.2 - 20 MeV for the four passes of Pioneers 10 and 11 through the Jovian magnetosphere. Azimuthal asymmetries appear to dominate with time variations also contributing to the very complex topology. On the inbound P-10 pass the expected corotation anisotropy was not observed in the outer magnetosphere supporting the probable existence of a planetary wind in this region. Near the dawn meredian particle streaming away from the planet begins at about 15 RJ. On both the P-10 inbound and P-11 outbound passes, there are regions where only partial corotation is achieved. In the mid-magnetosphere, field-aligned streaming away from the near-equatorial current sheet region is the most prominent feature. At mid-latitudes in the subsolar regime, the streaming pattern is more chaotic and its magnitude is smaller. Qualitative discussions are presented for a number of possible mechanisms which could produce this streaming.

  16. MEMEX: Mechanisms of Energetic Mass Ejection Explorer

    NASA Astrophysics Data System (ADS)

    Moore, T. E.; Chappell, C. R.; Clemmons, J. H.; Cully, C. M.; Donovan, E.; Earle, G. D.; Heelis, R. A.; Kistler, L. M.; Kepko, L.; Khazanov, G. V.; Knudsen, D. J.; Lessard, M.; McFadden, J. P.; Nicolls, M. J.; Pollock, C. J.; Pfaff, R. F.; Rankin, R.; Rowland, D. E.; Semeter, J. L.; Thayer, J. P.; Winglee, R.

    2013-12-01

    MEMEX is designed to find out how gravitationally-trapped volatile matter is being lost from atmospheres by energetic processes, depleting them of key constituents, as has occurred most dramatically at Mars. This process is exemplified in geospace by the dissipation of solar energy to produce ionospheric outflows that feed back on dynamics of the solar wind interaction with Earth's magnetosphere. Kinetic and electromagnetic energy flow from the Sun into the coupled (auroral) ionosphere, where resultant electron, ion, and gas heating give rise to upwelling, ionization, and mass ejection. Proposed mechanisms involve wave-particle heating interactions, upward ambipolar electric fields, or ponderomotive forces. A large number of free energy sources have been identified, but empirical guidance remains weak concerning their relative importance. Moreover, it is unclear if the waves interact with particles primarily in a cyclotron resonant mode, or in a lower hybrid exchange of electron (parallel) and ion (perpendicular) energy, or in a bulk ponderomotive mode. MEMEX will answer the questions raised by these issues: Where do the waves that produce mass ejection grow? How do they propagate and transport energy? How can wave amplitudes, heating, and escape rates be derived from solar wind conditions? Is the heating a cyclotron resonant process or a bulk ponderomotive forcing process? To obtain answers, MEMEX will for the first time simultaneously observe the magnetospheric and atmospheric boundary conditions applied to the topside or exobase layer, and the response of ions and electrons to the ensuing battle between electrodynamic forcing and collisional damping.

  17. Energetics of syntrophic cooperation in methanogenic degradation.

    PubMed Central

    Schink, B

    1997-01-01

    Fatty acids and alcohols are key intermediates in the methanogenic degradation of organic matter, e.g., in anaerobic sewage sludge digestors or freshwater lake sediments. They are produced by classical fermenting bacteria for disposal of electrons derived in simultaneous substrate oxidations. Methanogenic bacteria can degrade primarily only one-carbon compounds. Therefore, acetate, propionate, ethanol, and their higher homologs have to be fermented further to one-carbon compounds. These fermentations are called secondary or syntrophic fermentations. They are endergonic processes under standard conditions and depend on intimate coupling with methanogenesis. The energetic situation of the prokaryotes cooperating in these processes is problematic: the free energy available in the reactions for total conversion of substrate to methane attributes to each partner amounts of energy in the range of the minimum biochemically convertible energy, i.e., 20 to 25 kJ per mol per reaction. This amount corresponds to one-third of an ATP unit and is equivalent to the energy required for a monovalent ion to cross the charged cytoplasmic membrane. Recent studies have revealed that syntrophically fermenting bacteria synthesize ATP by substrate-level phosphorylation and reinvest part of the ATP-bound energy into reversed electron transport processes, to release the electrons at a redox level accessible by the partner bacteria and to balance their energy budget. These findings allow us to understand the energy economy of these bacteria on the basis of concepts derived from the bioenergetics of other microorganisms. PMID:9184013

  18. Intensity Variation of Solar Energetic Particle Events

    NASA Technical Reports Server (NTRS)

    Gopalswamy, Nat

    2011-01-01

    This paper updates the influence of environmental and source factors of shocks driven by corona) mass ejections (CMEs) that are likely to influence the intensity of solar energetic particle (SEP) events. The intensity variation due to CME interaction reported in Gopalswamy et al. (2004, JGR 109, Al2105) is confirmed by expanding the investigation to all the large SEP events of solar cycle 23. The large SEP events are separated into two groups, one associated with CMEs running into other CMEs, and the other with CMEs running into the ambient solar wind. SEP events with CME interaction generally have a higher intensity. New possibilities such as the influence of corona) holes on the SEP intensity are also discussed. For example, the presence of a large coronal hole between a well-connected eruption and the solar disk center may render the shock poorly connected because of the interaction between the CME and the coronal hole. This point is illustrated using the 2004 December 3 SEP event delayed by about 12 hours from the onset of the associated CME. There is no other event at the Sun that can be associated with the SEP onset. This event is consistent with the possibility that the coronal hole interaction influences the connectivity of the CMEs that produce SEPs, and hence the intensity of the SEP event.

  19. Elemental composition of solar energetic particles

    NASA Technical Reports Server (NTRS)

    Cook, W. R.; Stone, E. C.; Vogt, R. E.

    1984-01-01

    The Low Energy Telescopes on the Voyager spacecraft have been used to measure the elemental composition (Z = 2-28) and energy spectra (5-15 MeV per nucleon) of solar energetic particles (SEPs) in seven large flare events. Four flare events were selected which have SEP abundance ratios approximately independent of energy per nucleon. For these selected flare events, SEP composition results may be described by an average composition plus a systematic flare-to-flare deviation about the average. The four-flare average SEP composition is systematically different from the solar composition determined by photospheric spectroscopy. These systematic composition differences are apparently not due to SEP propagation or acceleration effects. In contrast, the four-flare average SEP composition is in agreement with measured solar wind abundances and with a number of recent spectroscopic coronal abundance measurements. These findings suggest that SEPs originate in the corona, and that both SEPs and the solar wind sample a coronal composition which is significantly and persistently different from that measured for the photosphere.

  20. Autocatalytic Decomposition Mechanisms in Energetic Molecular Crystals

    NASA Astrophysics Data System (ADS)

    Kuklja, Maija; Rashkeev, Sergey

    2009-06-01

    Atomic scale mechanisms of the initiation of chemical processes in energetic molecular crystals, which lead to the decomposition and ultimately to an explosive chain reaction, are still far from being understood. In this work, we investigate the onset of the initiation processes in two high explosive crystals - diamino-dinitroethylene (DADNE) and triamino- trinitrobenzene (TATB). We found that an autocatalytic decomposition mechanism is likely to take place in DADNE crystal that consists of corrugated, dashboard-shaped molecular layers. The presence of a dissociated NO2 group in the interstitial space between two layers induces a significant shear-strain between these layers, which, in turn, facilitates the further dissociation of NO2 groups from surrounding molecules through lowering the C-NO2 decomposition barrier. Unlike this, in TATB (that consists of flat, graphite-like molecular layers), an interstitial NO2 group positioned between two layers tends to produce a tensile stress (rather than a shear-strain), which leads to local molecular disorder in these layers without any significant modification of the C-NO2 decomposition barrier. The observed differences between the two materials are discussed in terms of their structural, electronic, and chemical properties.

  1. PoET: Polarimeters for Energetic Transients

    NASA Technical Reports Server (NTRS)

    McConnell, Mark; Barthelmy, Scott; Hill, Joanne

    2008-01-01

    This presentation focuses on PoET (Polarimeters for Energetic Transients): a Small Explorer mission concept proposed to NASA in January 2008. The principal scientific goal of POET is to measure GRB polarization between 2 and 500 keV. The payload consists of two wide FoV instruments: a Low Energy Polarimeter (LEP) capable of polarization measurements in the energy range from 2-15 keV and a high energy polarimeter (Gamma-Ray Polarimeter Experiment - GRAPE) that will measure polarization in the 60-500 keV energy range. Spectra will be measured from 2 keV up to 1 MeV. The PoET spacecraft provides a zenith-pointed platform for maximizing the exposure to deep space. Spacecraft rotation will provide a means of effectively dealing with systematics in the polarization response. PoET will provide sufficient sensitivity and sky coverage to measure statistically significant polarization for up to 100 GRBs in a two-year mission. Polarization data will also be obtained for solar flares, pulsars and other sources of astronomical interest.

  2. Energetic molding of chiral magnetic bubbles

    NASA Astrophysics Data System (ADS)

    Lau, Derek; Sundar, Vignesh; Zhu, Jian-Gang; Sokalski, Vincent

    2016-08-01

    Topologically protected magnetic structures such as skyrmions and domain walls (DWs) have drawn a great deal of attention recently due to their thermal stability and potential for manipulation by spin current, which is the result of chiral magnetic configurations induced by the interfacial Dzyaloshinskii-Moriya interaction (DMI). Designing devices that incorporate DMI necessitates a thorough understanding of how the interaction presents and can be measured. One approach is to measure growth asymmetry of chiral bubble domains in perpendicularly magnetized thin films, which has been described elsewhere by thermally activated DW motion. Here, we demonstrate that the anisotropic angular dependence of DW energy originating from the DMI is critical to understanding this behavior. Domains in Co/Ni multilayers are observed to preferentially grow into nonelliptical teardrop shapes, which vary with the magnitude of an applied in-plane field. We model the domain profile using energetic calculations of equilibrium shape via the Wulff construction, which serves as a new paradigm for describing chiral domains that explains both the teardrop shape and the reversal of growth symmetry at large fields.

  3. Energetic cost of brain functional connectivity

    PubMed Central

    Tomasi, Dardo; Wang, Gene-Jack; Volkow, Nora D.

    2013-01-01

    The brain's functional connectivity is complex, has high energetic cost, and requires efficient use of glucose, the brain's main energy source. It has been proposed that regions with a high degree of functional connectivity are energy efficient and can minimize consumption of glucose. However, the relationship between functional connectivity and energy consumption in the brain is poorly understood. To address this neglect, here we propose a simple model for the energy demands of brain functional connectivity, which we tested with positron emission tomography and MRI in 54 healthy volunteers at rest. Higher glucose metabolism was associated with proportionally larger MRI signal amplitudes, and a higher degree of connectivity was associated with nonlinear increases in metabolism, supporting our hypothesis for the energy efficiency of the connectivity hubs. Basal metabolism (in the absence of connectivity) accounted for 30% of brain glucose utilization, which suggests that the spontaneous brain activity accounts for 70% of the energy consumed by the brain. The energy efficiency of the connectivity hubs was higher for ventral precuneus, cerebellum, and subcortical hubs than for cortical hubs. The higher energy demands of brain communication that hinges upon higher connectivity could render brain hubs more vulnerable to deficits in energy delivery or utilization and help explain their sensitivity to neurodegenerative conditions, such as Alzheimer’s disease. PMID:23898179

  4. Energetic Particles Events inside Magnetic Clouds

    NASA Astrophysics Data System (ADS)

    Medina, Jose; Hidalgo, Miguel Angel; Blanco, Juan Jose; Rodriguez-Pacheco, Javier

    The effect of the magnetic topology of the Magnetic Clouds (MCs) over the energetic particle event (EPe) fluxes (0.5-100 MeV) have been simulated. In the data corresponding to the ion and electron fluxes, a depression after a strong maximum is observed when a EPe passes through a MC. Using our cross-section circular and elliptical MC models (Journal of Geophysical Research 107(1), doi:10.1029/2001JA900100 (2002) and Solar Physics 207(1), 187-198 (2002)) we have tried to explain that effect, understanding the importance of the topology of the MC. In sight of the results of the preliminary analysis we conclude that the magnitude of the magnetic field seems not to play a significant role but the helicoidal topology associated with topology of the MCs. This work has been supported by the Spanish Comisín Internacional de o Ciencia y Tecnoloǵ (CICYT), grant ESP2005-07290-C02-01 and ESP2006-08459. This work ıa is performed inside COST Action 724.

  5. Efficient laser production of energetic neutral beams

    NASA Astrophysics Data System (ADS)

    Mollica, F.; Antonelli, L.; Flacco, A.; Braenzel, J.; Vauzour, B.; Folpini, G.; Birindelli, G.; Schnuerer, M.; Batani, D.; Malka, V.

    2016-03-01

    Laser-driven ion acceleration by intense, ultra-short, laser pulse has received increasing attention in recent years, and the availability of much compact and versatile ions sources motivates the study of laser-driven sources of energetic neutral atoms. We demonstrate the production of a neutral and directional beam of hydrogen and carbon atoms up to 200 keV per nucleon, with a peak flow of 2.7× {{10}13} atom s-1. Laser accelerated ions are neutralized in a pulsed, supersonic argon jet with tunable density between 1.5× {{10}17} cm-3and 6× {{10}18} cm-3. The neutralization efficiency has been measured by a time-of-flight detector for different argon densities. An optimum is found, for which complete neutralization occurs. The neutralization rate can be explained only at high areal densities (>1× {{10}17} cm-2) by single electron charge transfer processes. These results suggest a new perspective for the study of neutral production by laser and open discussion of neutralization at a lower density.

  6. Observed deep energetic eddies by seamount wake.

    PubMed

    Chen, Gengxin; Wang, Dongxiao; Dong, Changming; Zu, Tingting; Xue, Huijie; Shu, Yeqiang; Chu, Xiaoqing; Qi, Yiquan; Chen, Hui

    2015-01-01

    Despite numerous surface eddies are observed in the ocean, deep eddies (a type of eddies which have no footprints at the sea surface) are much less reported in the literature due to the scarcity of their observation. In this letter, from recently collected current and temperature data by mooring arrays, a deep energetic and baroclinic eddy is detected in the northwestern South China Sea (SCS) with its intensity, size, polarity and structure being characterized. It remarkably deepens isotherm at deep layers by the amplitude of ~120 m and induces a maximal velocity amplitude about 0.18 m/s, which is far larger than the median velocity (0.02 m/s). The deep eddy is generated in a wake when a steering flow in the upper layer passes a seamount, induced by a surface cyclonic eddy. More observations suggest that the deep eddy should not be an episode in the area. Deep eddies significantly increase the velocity intensity and enhance the mixing in the deep ocean, also have potential implication for deep-sea sediments transport. PMID:26617343

  7. Energetic particle abundances in solar electron events

    NASA Technical Reports Server (NTRS)

    Reames, D. V.; Cane, H. V.; Von Rosenvinge, T. T.

    1990-01-01

    The results of a comprehensive search of the ISEE 3 energetic particle data for solar electron events with associated increases in elements with atomic number Z = 6 or greater are reported. A sample of 90 such events was obtained. The events support earlier evidence of a bimodal distribution in Fe/O or, more clearly, in Fe/C. Most of the electron events belong to the group that is Fe-rich in comparison with the coronal abundance. The Fe-rich events are frequently also He-3-rich and are associated with type III and type V radio bursts and impulsive solar flares. Fe-poor events are associated with type IV bursts and with interplanetary shocks. With some exceptions, event-to-event enhancements in the heavier elements vary smoothly with Z and with Fe/C. In fact, these variations extend across the full range of events despite inferred differences in acceleration mechanism. The origin of source material in all events appears to be coronal and not photospheric.

  8. PLASMA ENERGETIC PARTICLES SIMULATION CENTER (PEPSC)

    SciTech Connect

    Berk, Herbert L.

    2014-05-23

    The main effort of the Texas group was to develop theoretical and simplified numerical models to understand chirping phenomena often seen for Alfven and geodesic acoustic waves in experimental plasmas such as D-III-D, NSTX and JET. Its main numerical effort was to modify the AEGIS code, which was originally developed as an eigenvalue solver. To apply to the chirping problem this code has to be able to treat the linear response to the continuum and the response of the plasma to external drive or to an internal drive that comes from the formation of phase space chirping structures. The theoretical underpinning of this investigation still needed to be more fully developed to understand how to best formulate the theoretical problem. Considerable progress was made on this front by B.N. Breizman and his collaborators and a new reduced model was developed by H. L. Berk and his PhD student, G. Wang which can be uses as simplified model to describe chirping in a large aspect ratio tokamak. This final report will concentrate on these two directions that were developed as well as results that were found in the work with the AEGIS code and in the progress in developing a novel quasi-linear formulation for a description of Alfvenic modes destabilized by energetic particles, such as alpha particles in a burning plasma.

  9. Advanced Energetics for Aeronautical Applications. Volume II

    NASA Technical Reports Server (NTRS)

    Alexander, David S.

    2005-01-01

    NASA has identified water vapor emission into the upper atmosphere from commercial transport aircraft, particularly as it relates to the formation of persistent contrails, as a potential environmental problem. Since 1999, MSE has been working with NASA-LaRC to investigate the concept of a transport-size emissionless aircraft fueled with liquid hydrogen combined with other possible breakthrough technologies. The goal of the project is to significantly advance air transportation in the next decade and beyond. The power and propulsion (P/P) system currently being studied would be based on hydrogen fuel cells (HFCs) powering electric motors, which drive fans for propulsion. The liquid water reaction product is retained onboard the aircraft until a flight mission is completed. As of now, NASA-LaRC and MSE have identified P/P system components that, according to the high-level analysis conducted to date, are light enough to make the emissionless aircraft concept feasible. Calculated maximum aircraft ranges (within a maximum weight constraint) and other performance predictions are included in this report. This report also includes current information on advanced energy-related technologies, which are still being researched, as well as breakthrough physics concepts that may be applicable for advanced energetics and aerospace propulsion in the future.

  10. Intense and energetic radiation from crystalline undulators

    NASA Astrophysics Data System (ADS)

    Uggerhøj, U. I.; Wistisen, T. N.

    2015-07-01

    With the recent experimental confirmation of the existence of energetic radiation from a Small Amplitude, Small Period (SASP) crystalline undulator (Wistisen et al., 2014), the field of specially manufactured crystals, from which specific radiation characteristics can be obtained, has evolved substantially. In the present paper we show how the radiation spectra can be tuned, using electrons and positrons of energies from 100 MeV up to 20 GeV. The latter energy is relevant for possible experiments at the FACET facility at Stanford Linear Accelerator Center (SLAC), whereas 100 MeV has been chosen to show the potentialities connected to using crystalline undulators as radiation targets for Nuclear Waste Transmutation (NWT). Energies in the few hundred MeV range are relevant for the facilities at the MAinzer MIcrotron (MAMI). For the 20 GeV case we show explicitly that quantum corrections to the emission spectrum become very significant, an effect that may be observed in the near future using the FACET beam at SLAC.

  11. Novel energetic coupling in the methanogenic bacteria

    SciTech Connect

    Carper, S.W.; Rogers, K.R.; Lancaster, J.R. Jr.

    1986-05-01

    The Archaebacteria are a diverse group of organisms which have been proposed to be a third major line of descent, separate and distinct from the prokaryotes and eukaryotes. Among the unique bioenergetic systems in this group are the light-driven ion pumps bacteriorhodopsin and halorhodopsin, present in the halobacteria. The methanogens are a major member of the Archaebacteria, and couple ATP synthesis to electron transfer to generate methane from several simple substrates. The authors report here studies on the basic overall scheme of energetics in these unique organisms, including the following observations: ATP synthesis coupled to electron transfer does not require the obligatory intermediacy of a transmembrane ion gradient, but appears to occur by a direct mechanism. Intracellular ion homeostasis is maintained by a sodium cycle, involving an electrogenic sodium-translocating ATPase. Based on EPR examinations of crude preparations in the presence of physiological electron donors or acceptors, a minimal electron transfer chain is proposed, involving nickel, flavin, and at least three iron-sulfur centers.

  12. Extracellular Metabolic Energetics Can Promote Cancer Progression

    PubMed Central

    Loo, Jia Min; Scherl, Alexis; Nguyen, Alexander; Man, Fung Ying; Weinberg, Ethan; Zeng, Zhaoshi; Saltz, Leonard; Paty, Philip B.; Tavazoie, Sohail F.

    2014-01-01

    Summary Colorectal cancer primarily metastasizes to the liver and kills over 600,000 people annually. By functionally screening 661 miRNAs in parallel during liver colonization, we have identified miR-551a and miR-483 as robust endogenous suppressors of liver colonization and metastasis. These miRNAs convergently target creatine kinase, brain-type (CKB), which phosphorylates the metabolite creatine, to generate phosphocreatine. CKB is released into the extracellular space by metastatic cells encountering hepatic hypoxia and catalyzes production of extracellular phosphocreatine, which is imported through the SLC6A8 transporter and used to generate ATP—fueling metastatic survival. Combinatorial therapeutic viral delivery of miR-551a and miR-483-5p through single-dose adeno-associated viral (AAV) delivery significantly suppressed colon cancer metastatic colonization, as did CKB inhibition with a small-molecule inhibitor. Importantly, human liver metastases express higher CKB and SLC6A8 levels and reduced miR-551a/miR-483 levels relative to primary tumors. We identify the extracellular space as an important compartment for malignant energetic catalysis and therapeutic targeting. PMID:25601461

  13. Observed deep energetic eddies by seamount wake

    PubMed Central

    Chen, Gengxin; Wang, Dongxiao; Dong, Changming; Zu, Tingting; Xue, Huijie; Shu, Yeqiang; Chu, Xiaoqing; Qi, Yiquan; Chen, Hui

    2015-01-01

    Despite numerous surface eddies are observed in the ocean, deep eddies (a type of eddies which have no footprints at the sea surface) are much less reported in the literature due to the scarcity of their observation. In this letter, from recently collected current and temperature data by mooring arrays, a deep energetic and baroclinic eddy is detected in the northwestern South China Sea (SCS) with its intensity, size, polarity and structure being characterized. It remarkably deepens isotherm at deep layers by the amplitude of ~120 m and induces a maximal velocity amplitude about 0.18 m/s, which is far larger than the median velocity (0.02 m/s). The deep eddy is generated in a wake when a steering flow in the upper layer passes a seamount, induced by a surface cyclonic eddy. More observations suggest that the deep eddy should not be an episode in the area. Deep eddies significantly increase the velocity intensity and enhance the mixing in the deep ocean, also have potential implication for deep-sea sediments transport. PMID:26617343

  14. Temporal Evolution of Solar Energetic Particle Spectra

    NASA Astrophysics Data System (ADS)

    Doran, Donald J.; Dalla, Silvia

    2016-08-01

    During solar flares and coronal mass ejections, Solar Energetic Particles (SEPs) may be released into the interplanetary medium and near-Earth locations. The energy spectra of SEP events at 1 AU are typically averaged over the entire event or studied in a few snapshots. In this article we analyze the time evolution of the energy spectra of four large selected SEP events using a large number of snapshots. We use a multi-spacecraft and multi-instrument approach for the observations, obtained over a wide SEP energy range. We find large differences in the spectra at the beginning of the events as measured by different instruments. We show that over time, a wave-like structure is observed traveling through the spectra from the highest energies to the lowest energies, creating an "arch" shape that then straightens into a power law later in the event, after times on the order of 10 hours. We discuss the processes that determine SEP intensities and their role in shaping the spectral time evolution.

  15. Energetic particles in Saturn's middle magnetosphere

    NASA Astrophysics Data System (ADS)

    Kollmann, P.; Paranicas, C.; Roussos, E.

    2012-12-01

    The Cassini spacecraft has been exploring Saturn's magnetosphere in situ since 2004. In this study we use measurements from the MIMI/CHEMS and MIMI/LEMMS sensors in order to characterize and understand the distribution of energetic ions (10 keV to 1 MeV range) in Saturn's middle magnetosphere. CHEMS provides very good foreground to background ratios and can discriminate well among ion species. While the positions of the intensity maxima of Saturn's proton belts are located between the orbits of the icy moons and are independent of energy, the intensity maximum within the middle magnetosphere shifts with energy. We find indications that this shift is due to charge exchange in the neutral gas torus of Enceladus. Since the lower energies are easily lost, their maximum is farther out compared to the weakly interacting higher energies. However, the charge exchange lifetime at and outside of the intensity maximum is too long to be the only loss process, when other aspects of the MIMI data are considered. An important other process is thought to be radial diffusion caused by fluctuations of the magnetic and electric fields. This can cause that a moon can have an effect even several Saturn radii away from its orbit, a behavior that we indeed observed. However, we have also found that radial diffusion alone cannot account for the observations, even in regions where the neutral density is low.

  16. The Two Sources of Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Reames, Donald V.

    2012-05-01

    The identification of two different physical mechanisms for acceleration of solar energetic particles (SEPs) began nearly 50 years ago with the radio observations of type III bursts produced by outward streaming electrons and type II bursts from coronal (and interplanetary) shock waves. Since that time we have found that the former are related to “impulsive” SEP events from flares or jets where resonant stochastic acceleration, probably related to magnetic reconnection, can produce 1000-fold enhancements of 3He/4He and of (Z>50)/O, for example, while the latter “gradual” SEP events sample ion abundances democratically and are used to measure the coronal abundances of the elements. Sometimes, unfortunately, residual impulsive suprathermal ions can also contribute to the seed population for shock acceleration, complicating the picture, but this process can now be modeled theoretically. Initially, impulsive events behave like a point source on the Sun, while multi-spacecraft observations of gradual events show extensive acceleration that can span half of the inner heliosphere, beginning when the shock reaches 2 solar radii. Acceleration occurs as ions are scattered back and forth across the shock by proton-generated resonant Alfven waves. These waves also define a streaming-limited maximum intensity or plateau region prior to arrival of the shock. Behind the shock lies an extensive “reservoir” region of spatially uniform SEP intensity that decreases with time as the “magnetic bottle” enclosing it expands.

  17. Energetic Particles in the Inner Heliosphere

    NASA Astrophysics Data System (ADS)

    Malandraki, Olga

    2016-07-01

    Solar Energetic Particle (SEP) events are a key ingredient of Solar-Terrestrial Physics both for fundamental research and space weather applications. SEP events are the defining component of solar radiation storms, contribute to radio blackouts in polar regions and are related to many of the fastest Coronal Mass Ejections (CMEs) driving major geomagnetic storms. In addition to CMEs, SEPs are also related to flares. In this work, the current state of knowledge on the SEP field will be reviewed. Key issues to be covered and discussed include: the current understanding of the origin, acceleration and transport processes of SEPs at the Sun and in the inner heliosphere, lessons learned from multi-spacecraft SEP observations, statistical quantification of the comparison of solar events and SEP events of the current solar cycle 24 with previous solar cycles, causes of the solar-cycle variations in SEP fluencies and composition, theoretical work and current SEP acceleration models. Furthermore, the outstanding issues that constitute a knowledge gap in the field will be presented and discussed, as well as future directions and expected advances from the observational and modeling perspective, also in view of the unique observations provided by the upcoming Solar Orbiter and Solar Probe Plus missions. Acknowledgement: This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No 637324.

  18. The energetic characterization of pineapple crown leaves.

    PubMed

    Braga, R M; Queiroga, T S; Calixto, G Q; Almeida, H N; Melo, D M A; Melo, M A F; Freitas, J C O; Curbelo, F D S

    2015-12-01

    Energetic characterization of biomass allows for assessing its energy potential for application in different conversion processes into energy. The objective of this study is to physicochemically characterize pineapple crown leaves (PC) for their application in energy conversion processes. PC was characterized according to ASTM E871-82, E1755-01, and E873-82 for determination of moisture, ash, and volatile matter, respectively; the fixed carbon was calculated by difference. Higher heating value was determined by ASTM E711-87 and ash chemical composition was determined by XRF. The thermogravimetric and FTIR analyses were performed to evaluate the thermal decomposition and identify the main functional groups of biomass. PC has potential for application in thermochemical processes, showing high volatile matter (89.5%), bulk density (420.8 kg/m(3)), and higher heating value (18.9 MJ/kg). The results show its energy potential justifying application of this agricultural waste into energy conversion processes, implementing sustainability in the production, and reducing the environmental liabilities caused by its disposal. PMID:26233737

  19. Energetic characteristics of transition metal complexes.

    PubMed

    Wojewódka, Andrzej; Bełzowski, Janusz; Wilk, Zenon; Staś, Justyna

    2009-11-15

    Ten transition metal nitrate and perchlorate complexes of hydrazine and ethylenediamine were synthesized, namely [Cu(EN)(2)](ClO(4))(2), [Co(EN)(3)](ClO(4))(3), [Ni(EN)(3)](ClO(4))(2), [Hg(EN)(2)](ClO(4))(2), [Cr(N(2)H(4))(3)](ClO(4))(3), [Cd(N(2)H(4))(3)](ClO(4))(2), [Ni(N(2)H(4))(3)](NO(3))(2), [Co(N(2)H(4))(3)](NO(3))(3), [Zn(N(2)H(4))(3)](NO(3))(2), and [Cd(N(2)H(4))(3)](NO(3))(2) based on the lines of the literature reported methods. All of them were tested with applying underwater detonation test and further compared to the typical blasting explosives: RDX, HMX, TNT and PETN. From the above presented complexes [Ni(N(2)H(4))(3)](NO(3))(2) (called NHN) and [Co(N(2)H(4))(3)](NO(3))(3) (called CoHN) are known as primary explosives and can be used as the standard explosives. Explosion parameters, such as shock wave overpressure, shock wave energy equivalent and bubble energy equivalent, were determined. Evaluated energetic characteristics of the tested compounds are comparable to those of the classic high explosives and are even enhanced in some cases. PMID:19631466

  20. Reactive thermal waves in energetic materials

    SciTech Connect

    Hill, Larry G

    2009-01-01

    Reactive thermal waves (RTWs) arise in several energetic material applications, including self-propagating high-temperature synthesis (SHS), high explosive cookoff, and the detonation of heterogeneous explosives. In this paper I exmaine ideal RTWs, by which I mean that (1) material motion is neglected, (2) the state dependence of reaction is Arrhenius in the temperature, and (3) the reaction rate is modulated by an arbitrary mass-fraction-based reaction progress function. Numerical simulations demonstrate that one's natural intuition, which is based mainly upon experience with inert materials and which leads one to expect diffusion processes to become relatively slow after a short time period, is invalid for high energy, state-sensitive reactive systems. Instead, theory predicts that RTWs can propagate at very high speeds. This result agrees with estimates for detonating heterogeneous explosives, which indicate that RTWs must spread from hot-spot nucleation sites at rates comparable to the detonation speed in order to produce experimentally-observed reaction zone thicknesses. Using dimensionless scaling and further invoking the high activation energy approximation, I obtain an analytic formula for the steady plane RTW speed from numerical calculations. I then compute the RTW speed for real explosives, and discuss aspects of their behavior.

  1. A novel tomographic technique for energetic materials

    NASA Astrophysics Data System (ADS)

    Stennett, C. C.; Stennett, S. E.; Rau, Christoph; McDonald, S. A.; Bourne, N. K.; Withers, P. J.; Cranfield-Manchester Collaboration

    2015-06-01

    It is a pressing matter to understand microstructural details within polymer matrix composites with energetic filler particles within. The generation of three-dimensional microstructure, using a noninvasive method of high resolution will advance knowledge in a range of fields. A range of inert composites analogous to plastic bonded explosives (PBXs) with crystalline and amorphous phases have been studied, and X-ray microtomography for microstructural investigation on the Diamond-Manchester I13 beamline. One of the compositions had crystal densities close to the binder and the other very different so that particles could be resolved easily in the one case and with great difficulty, even with phase contrast techniques in the other. Improvements int eh imaging made it possible to adequately define the bulk morphology, to determine the geometry of defects that might lead to sites for accidental ignition within the material and to demonstrate a direct linkage into the finite element predictions of mechanical response. Once demonstrated, the damage in a real loaded HE was assessed and quantified.

  2. Linking energetics and overwintering in temperate insects.

    PubMed

    Sinclair, Brent J

    2015-12-01

    Overwintering insects cannot feed, and energy they take into winter must therefore fuel energy demands during autumn, overwintering, warm periods prior to resumption of development in spring, and subsequent activity. Insects primarily consume lipids during winter, but may also use carbohydrate and proteins as fuel. Because they are ectotherms, the metabolic rate of insects is temperature-dependent, and the curvilinear nature of the metabolic rate-temperature relationship means that warm temperatures are disproportionately important to overwinter energy use. This energy use may be reduced physiologically, by reducing the slope or elevation of the metabolic rate-temperature relationship, or because of threshold changes, such as metabolic suppression upon freezing. Insects may also choose microhabitats or life history stages that reduce the impact of overwinter energy drain. There is considerable capacity for overwinter energy drain to affect insect survival and performance both directly (via starvation) or indirectly (for example, through a trade-off with cryoprotection), but this has not been well-explored. Likewise, the impact of overwinter energy drain on growing-season performance is not well understood. I conclude that overwinter energetics provides a useful lens through which to link physiology and ecology and winter and summer in studies of insect responses to their environment. PMID:26615721

  3. Solar Energetic Particle Events: Phenomenology and Prediction

    NASA Astrophysics Data System (ADS)

    Gabriel, S. B.; Patrick, G. J.

    2003-04-01

    Solar energetic particle events can cause major disruptions to the operation of spacecraft in earth orbit and outside the earth's magnetosphere and have to be considered for EVA and other manned activities. They may also have an effect on radiation doses received by the crew flying in high altitude aircraft over the polar regions. The occurrence of these events has been assumed to be random, but there would appear to be some solar cycle dependency with a higher annual fluence occuring during a 7 year period, 2 years before and 4 years after the year of solar maximum. Little has been done to try to predict these events in real-time with nearly all of the work concentrating on statistical modelling. Currently our understanding of the causes of these events is not good. But what are the prospects for prediction? Can artificial intelligence techniques be used to predict them in the absence of a more complete understanding of the physics involved? The paper examines the phenomenology of the events, briefly reviews the results of neural network prediction techniques and discusses the conjecture that the underlying physical processes might be related to self-organised criticality and turblent MHD flows.

  4. The energy spectra of solar energetic particles

    NASA Technical Reports Server (NTRS)

    Mcguire, R. E.; Von Rosenvinge, T. T.

    1984-01-01

    A survey of recent results on the shapes and relative slopes of the spectra of various solar energetic particle populations is presented, with emphasis on the more extensive results currently available for protons, alphas and electrons. From previous work, it is found that proton spectra 0.8 to more than 400 MeV and alpha spectra 1.4 to 80 MeV/nucleon are best characterized, on average, by a functional form involving a Bessel function in momentum/nucleon. However, proton and alpha spectral slopes using this form are not equal, and there is significant variation from event to event. From other studies, electrons 0.02 to 20 MeV are also found to have curved spectra, but seem to be better fit with a double power law in energy. The spectral properties in both cases correlate with other measures of solar particle acceleration; e.g. gamma-ray line production, hard X-ray burst spectra and microwave fluxes.

  5. Proteins at the Biomaterial Electrolyte Interface

    NASA Astrophysics Data System (ADS)

    Tengvall, Pentti

    2005-03-01

    Proteins adsorb rapidly onto solid and polymeric surfaces because the association process is in the vast majority of cases energetically favourable, i.e. exothermic. The most common exceptions to this rule are hydrophilic interfaces with low net charge and high mobility, e.g. immobilized PEGs. Current research in the research area tries to understand and control unwanted and wanted adsorption by studying the adsorption kinetics, protein surface binding specificity, protein exchange at interfaces, and surface protein repulsion mechanisms. In blood plasma model systems humoral cascade reactions such as surface mediated coagulation and immune complement raise considerable interest due to the immediate association to blood compatibility, and in tissue applications the binding between surfaces and membrane receptors in cells and tissues. Thus, the understanding of interfacial events at the protein level is of large importance in applications such as blood and tissue contacting biomaterials, in vitro medical and biological diagnostics, food industry and in marine anti-fouling technology. Well described consequences of adsorption are a lowered system energy, increased system entropy, irreversible binding, conformational changes, specific surface/protein interactions, and in biomedical materials applications surface opsonization followed by cell-surface interactions and a host tissue response. This lecture will deal with some mechanisms known to be of importance for the adsorption processes, such as the influence of surface chemistry and surface energy, the composition of the protein solution, the Vroman effect, and residence time. Examples will be shown from ellipsometric experiments using different model surfaces in single/few protein solutions, and specific attention be given to blood serum and plasma experiments on coagulation and immune complement at interfaces.

  6. [Emergency Department Interfaces].

    PubMed

    Fleischmann, Thomas

    2016-01-01

    Emergency Departments ED may be an exceptionally good example of an interface within a hospital. EDs have no patients of their own but pass them over to other institutions, either to specialist departments within the hospital or to primary care providers. Moreover, many doctors, nurses, attendants and institutions take part in the care of emergency department patients, and thus the number of its interfaces is very high. The characteristics of working in an ED, for example shortage of time, high work load, taking care of several patients at the same time and frequently crowding, may compromise the transfer of information via interfaces, sometimes including even vital data. The best way to secure handoff of information may be the formalization and standardization of this process, assuring patient safety and quality of care. Further study is required. PMID:26710198

  7. High temperature interface superconductivity

    DOE PAGESBeta

    Gozar, A.; Bozovic, I.

    2016-01-20

    High-Tc superconductivity at interfaces has a history of more than a couple of decades. In this review we focus our attention on copper-oxide based heterostructures and multi-layers. We first discuss the technique, atomic layer-by-layer molecular beam epitaxy (ALL-MBE) engineering, that enabled High-Tc Interface Superconductivity (HT-IS), and the challenges associated with the realization of high quality interfaces. Then we turn our attention to the experiments which shed light on the structure and properties of interfacial layers, allowing comparison to those of single-phase films and bulk crystals. Both ‘passive’ hetero-structures as well as surface-induced effects by external gating are discussed. Here, wemore » conclude by comparing HT-IS in cuprates and in other classes of materials, especially Fe-based superconductors, and by examining the grand challenges currently laying ahead for the field.« less

  8. High temperature interface superconductivity

    NASA Astrophysics Data System (ADS)

    Gozar, A.; Bozovic, I.

    2016-02-01

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

  9. Magnetic multilayer interface anisotropy

    SciTech Connect

    Pechan, M.J.

    1992-01-01

    Ni/Mo and Ni/V multilayer magnetic anisotropy has been investigated as a function of Ni layer thickness, frequency and temperature. Variable frequency ferromagnetic resonance (FMR) measurements show, for the first time, significant frequency dependence associated with the multilayer magnetic anisotropy. The thickness dependence allows one to extract the interface contribution from the total anisotropy. Temperature dependent FMR (9 GHz) and room temperature magnetization indicate that strain between Ni and the non-magnetic layers is contributing significantly to the source of the interface anisotropy and the state of the interfacial magnetization. In order to examine the interface properties of other transition metal multilayer systems, investigations on Fe/Cu are underway and CoCr/Ag is being proposed. ESR measurements have been reported on Gd substituted YBaCuO superconductors and a novel quasi-equilibrium method has been developed to determine quickly and precisely the ransition temperature.

  10. Urban water interfaces

    NASA Astrophysics Data System (ADS)

    Gessner, M. O.; Hinkelmann, R.; Nützmann, G.; Jekel, M.; Singer, G.; Lewandowski, J.; Nehls, T.; Barjenbruch, M.

    2014-06-01

    Urban water systems consist of large-scale technical systems and both natural and man-made water bodies. The technical systems are essential components of urban infrastructure for water collection, treatment, storage and distribution, as well as for wastewater and runoff collection and subsequent treatment. Urban aquatic ecosystems are typically subject to strong human influences, which impair the quality of surface and ground waters, often with far-reaching impacts on downstream aquatic ecosystems and water users. The various surface and subsurface water bodies in urban environments can be viewed as interconnected compartments that are also extensively intertwined with a range of technical compartments of the urban water system. As a result, urban water systems are characterized by fluxes of water, solutes, gases and energy between contrasting compartments of a technical, natural or hybrid nature. Referred to as urban water interfaces, boundaries between and within these compartments are often specific to urban water systems. Urban water interfaces are generally characterized by steep physical and biogeochemical gradients, which promote high reaction rates. We hypothesize that they act as key sites of processes and fluxes with notable effects on overall system behaviour. By their very nature, urban water interfaces are heterogeneous and dynamic. Therefore, they increase spatial heterogeneity in urban areas and are also expected to contribute notably to the temporal dynamics of urban water systems, which often involve non-linear interactions and feedback mechanisms. Processes at and fluxes across urban water interfaces are complex and less well understood than within well-defined, homogeneous compartments, requiring both empirical investigations and new modelling approaches at both the process and system level. We advocate an integrative conceptual framework of the urban water system that considers interfaces as a key component to improve our fundamental

  11. BARREL observations of a solar energetic electron and solar energetic proton event

    NASA Astrophysics Data System (ADS)

    Halford, A. J.; McGregor, S. L.; Hudson, M. K.; Millan, R. M.; Kress, B. T.

    2016-05-01

    During the second Balloon Array for Radiation Belt Relativistic Electron Losses (BARREL) campaign two solar energetic proton (SEP) events were observed. Although BARREL was designed to observe X-rays created during electron precipitation events, it is sensitive to X-rays from other sources. The gamma lines produced when energetic protons hit the upper atmosphere are used in this paper to study SEP events. During the second SEP event starting on 7 January 2014 and lasting ˜3 days, which also had a solar energetic electron (SEE) event occurring simultaneously, BARREL had six payloads afloat spanning all magnetic local time (MLT) sectors and L values. Three payloads were in a tight array (˜2 h in MLT and ˜2 ΔL) inside the inner magnetosphere and at times conjugate in both L and MLT with the Van Allen Probes (approximately once per day). The other three payloads mapped to higher L values with one payload on open field lines for the entire event, while the other two appear to be crossing from open to closed field lines. Using the observations of the SEE and SEP events, we are able to map the open-closed boundary. Halford et al. (2015) demonstrated how BARREL can monitor electron precipitation following an interplanetary shock created by a coronal mass ejection (ICME-shock) arrival at Earth, while in this study we look at the SEP event precursor to the arrival of the ICME-Shock in our cradle-to-grave view: from flare, to SEE and SEP events, to radiation belt electron precipitation.

  12. Nonlinear optics at interfaces

    SciTech Connect

    Chen, C.K.

    1980-12-01

    Two aspects of surface nonlinear optics are explored in this thesis. The first part is a theoretical and experimental study of nonlinear intraction of surface plasmons and bulk photons at metal-dielectric interfaces. The second part is a demonstration and study of surface enhanced second harmonic generation at rough metal surfaces. A general formulation for nonlinear interaction of surface plasmons at metal-dielectric interfaces is presented and applied to both second and third order nonlinear processes. Experimental results for coherent second and third harmonic generation by surface plasmons and surface coherent antiStokes Raman spectroscopy (CARS) are shown to be in good agreement with the theory.

  13. Modal Interfaces in Hawaii

    NASA Technical Reports Server (NTRS)

    Wright, E. Alvey

    1974-01-01

    Hawaii, an archipelago where transportation distances are short but the interfaces are many, seeks elimination of modal changes by totally-submerged hydrofoil craft operating at the water surface directly between tourist resort destinations, by dual mode rapid transit vehicles operating directly between the deplaning bridges at Honolulu International Airport and hotel porte-cochere at Waikiki, by demand responsive vehicles for collection and distribution operating on fixed guideways for line haul, and by roll-on/roll-off inter-island ferries for all models of manually operated ground vehicles. The paper also describes facilitation of unavoidable interfaces by innovative sub-systems.

  14. Interfacing to accelerator instrumentation

    SciTech Connect

    Shea, T.J.

    1995-12-31

    As the sensory system for an accelerator, the beam instrumentation provides a tremendous amount of diagnostic information. Access to this information can vary from periodic spot checks by operators to high bandwidth data acquisition during studies. In this paper, example applications will illustrate the requirements on interfaces between the control system and the instrumentation hardware. A survey of the major accelerator facilities will identify the most popular interface standards. The impact of developments such as isochronous protocols and embedded digital signal processing will also be discussed.

  15. Optical encryption interface

    NASA Technical Reports Server (NTRS)

    Jackson, Deborah J. (Inventor)

    1998-01-01

    An analog optical encryption system based on phase scrambling of two-dimensional optical images and holographic transformation for achieving large encryption keys and high encryption speed. An enciphering interface uses a spatial light modulator for converting a digital data stream into a two dimensional optical image. The optical image is further transformed into a hologram with a random phase distribution. The hologram is converted into digital form for transmission over a shared information channel. A respective deciphering interface at a receiver reverses the encrypting process by using a phase conjugate reconstruction of the phase scrambled hologram.

  16. Profile Interface Generator

    Energy Science and Technology Software Center (ESTSC)

    2013-11-09

    The Profile Interface Generator (PIG) is a tool for loosely coupling applications and performance tools. It enables applications to write code that looks like standard C and Fortran functions calls, without requiring that applications link to specific implementations of those function calls. Performance tools can register with PIG in order to listen to only the calls that give information they care about. This interface reduces the build and configuration burden on application developers and allowsmore » semantic instrumentation to live in production codes without interfering with production runs.« less

  17. Profile Interface Generator

    SciTech Connect

    2013-11-09

    The Profile Interface Generator (PIG) is a tool for loosely coupling applications and performance tools. It enables applications to write code that looks like standard C and Fortran functions calls, without requiring that applications link to specific implementations of those function calls. Performance tools can register with PIG in order to listen to only the calls that give information they care about. This interface reduces the build and configuration burden on application developers and allows semantic instrumentation to live in production codes without interfering with production runs.

  18. Unstable nonlocal interface dynamics.

    PubMed

    Nicoli, Matteo; Cuerno, Rodolfo; Castro, Mario

    2009-06-26

    Nonlocal effects occur in many nonequilibrium interfaces, due to diverse physical mechanisms like diffusive, ballistic, or anomalous transport, with examples from flame fronts to thin films. While dimensional analysis describes stable nonlocal interfaces, we show the morphologically unstable condition to be nontrivial. This is the case for a family of stochastic equations of experimental relevance, paradigmatically including the Michelson-Sivashinsky system. For a whole parameter range, the asymptotic dynamics is scale invariant with dimension-independent exponents reflecting a hidden Galilean symmetry. The usual Kardar-Parisi-Zhang nonlinearity, albeit irrelevant in that parameter range, plays a key role in this behavior. PMID:19659099

  19. Magnetospheric Multiscale (MMS) Mission Observations of Energetic Particle Dynamics and Structures Prior To and During Its First Encounters with the Reconnection-Rich Regions of Earth's Magnetopause

    NASA Astrophysics Data System (ADS)

    Mauk, B.; Westlake, J. H.; Cohen, I. J.; Blake, J. B.; Fennell, J. F.; Baker, D. N.; Jaynes, A. N.; Spence, H. E.; Burch, J. L.; Torbert, R. B.; Moore, T. E.; Giles, B. L.; Pollock, C. J.; Fuselier, S. A.; Nakamura, R.; Reeves, G. D.

    2015-12-01

    The Magnetospheric Multiscale (MMS) mission, launched on 13 March 2015, comprises 4 spacecraft flying in close formation in highly elliptical, near-Earth-equatorial orbits targeting understanding of the fundamental physics of magnetic reconnection using Earth's magnetosphere as a plasma laboratory. The Energetic Particle Detector (EPD) Investigation on MMS is one of several fields-and-particles investigations. EPD comprises two sensor types, the Energetic Ion Spectrometer (EIS) with one instrument on each of the 4 spacecraft, and the Fly's Eye Energetic Particle Spectrometer (FEEPS) with 2 instruments on each of the 4 spacecraft. EIS measures energetic ion energy, angle and elemental compositional distributions for protons from < 20 keV, and oxygen from 45 keV, up to > 1 MeV. FEEPS measures instantaneous ( 1/3 s) all sky images of energetic electrons from 25 keV to > 0.6 MeV and also measures total ion energy distributions from 45 keV to > 0.5 MeV to be used in conjunction with EIS to measure all-sky ion distributions. During the preparation stages for the prime mission (prior to 1 September 2015), with a 1.2 x 12 RE orbit precessing across the root of the magnetotail, EPD observed energetic particle responses to depolarization fronts and related particle injection features, ion composition and flow dynamics associated with injections, the dynamic formation of trapping-boundary-like features at intermediate magnetic latitudes, striking electron beam and butterfly distributions likely providing precursors to observations of the magnetopause-magnetosphere interface, and intense modulations in association ULF waves. In this overview presentation, we use some of these observations to document the promise that the EPD investigation holds for contributing to the resolution of reconnection-induced particle acceleration and structuring. We then show the early-mission energetic particle structures and dynamics observed at the magnetopause and in association with

  20. Detailed Per-residue Energetic Analysis Explains the Driving Force for Microtubule Disassembly

    PubMed Central

    Ayoub, Ahmed T.; Klobukowski, Mariusz; Tuszynski, Jack A.

    2015-01-01

    Microtubules are long filamentous hollow cylinders whose surfaces form lattice structures of αβ-tubulin heterodimers. They perform multiple physiological roles in eukaryotic cells and are targets for therapeutic interventions. In our study, we carried out all-atom molecular dynamics simulations for arbitrarily long microtubules that have either GDP or GTP molecules in the E-site of β-tubulin. A detailed energy balance of the MM/GBSA inter-dimer interaction energy per residue contributing to the overall lateral and longitudinal structural stability was performed. The obtained results identified the key residues and tubulin domains according to their energetic contributions. They also identified the molecular forces that drive microtubule disassembly. At the tip of the plus end of the microtubule, the uneven distribution of longitudinal interaction energies within a protofilament generates a torque that bends tubulin outwardly with respect to the cylinder's axis causing disassembly. In the presence of GTP, this torque is opposed by lateral interactions that prevent outward curling, thus stabilizing the whole microtubule. Once GTP hydrolysis reaches the tip of the microtubule (lateral cap), lateral interactions become much weaker, allowing tubulin dimers to bend outwards, causing disassembly. The role of magnesium in the process of outward curling has also been demonstrated. This study also showed that the microtubule seam is the most energetically labile inter-dimer interface and could serve as a trigger point for disassembly. Based on a detailed balance of the energetic contributions per amino acid residue in the microtubule, numerous other analyses could be performed to give additional insights into the properties of microtubule dynamic instability. PMID:26030285

  1. Affinity of the interface between hydroxyapatite (0001) and titanium (0001) surfaces: a first-principles investigation.

    PubMed

    Sun, Jin P; Dai, Jianhong; Song, Yan; Wang, You; Yang, Rui

    2014-12-10

    A basic understanding of the affinity between the hydroxyapatite (HA) and α-Ti surfaces is obtained through electronic structure calculations by first-principles method. The surface energies of HA(0001), HA (011̅0), HA (101̅1), and Ti(0001) surfaces have been calculated. The HA(0001) presents the most thermodynamically stable of HA. The HA/Ti interfaces were constructed by two kinds of interface models, the single interface (denoted as SI) and the double-interface (denoted as DI). Two methods, the full relaxation and the UBER, were applied to determine the interfacial separation and the atomic arrangement in the interfacial zone. The works of adhesion of interfaces with various stoichiometric HA surfaces were evaluated. For the HA(0001)/Ti(0001) interfaces, the work of adhesion is strongly dependent on the chemical environment of the HA surface. The values are -2.33, -1.52, and -0.80 J/m(2) for the none-, single-, and double-Ca terminated HA/Ti interfaces, respectively. The influence of atomic relaxation on the work of adhesion and interface separation is discussed. Full relaxation results include -1.99 J/m(2) work of adhesion and 0.220 nm separation between HA and Ti for the DI of 1-Ca-HA/Ti interface, while they are -1.14 J/m(2) and 0.235 nm by partial relaxation. Analysis of electronic structure reveals that charge transfer between HA and Ti slabs occurs during the formation of the HA/Ti interface. The transfer generates the Ti-O or Ti-Ca bonds across the interface and drives the HA/Ti interface system to metallic characteristic. The energetically favorable interfaces are formed when the outmost layer of HA comprises more O atoms at the interface. PMID:25390283

  2. A polarizable continuum model for molecules at spherical diffuse interfaces

    NASA Astrophysics Data System (ADS)

    Di Remigio, Roberto; Mozgawa, Krzysztof; Cao, Hui; Weijo, Ville; Frediani, Luca

    2016-03-01

    We present an extension of the Polarizable Continuum Model (PCM) to simulate solvent effects at diffuse interfaces with spherical symmetry, such as nanodroplets and micelles. We derive the form of the Green's function for a spatially varying dielectric permittivity with spherical symmetry and exploit the integral equation formalism of the PCM for general dielectric environments to recast the solvation problem into a continuum solvation framework. This allows the investigation of the solvation of ions and molecules in nonuniform dielectric environments, such as liquid droplets, micelles or membranes, while maintaining the computationally appealing characteristics of continuum solvation models. We describe in detail our implementation, both for the calculation of the Green's function and for its subsequent use in the PCM electrostatic problem. The model is then applied on a few test systems, mainly to analyze the effect of interface curvature on solvation energetics.

  3. A polarizable continuum model for molecules at spherical diffuse interfaces.

    PubMed

    Di Remigio, Roberto; Mozgawa, Krzysztof; Cao, Hui; Weijo, Ville; Frediani, Luca

    2016-03-28

    We present an extension of the Polarizable Continuum Model (PCM) to simulate solvent effects at diffuse interfaces with spherical symmetry, such as nanodroplets and micelles. We derive the form of the Green's function for a spatially varying dielectric permittivity with spherical symmetry and exploit the integral equation formalism of the PCM for general dielectric environments to recast the solvation problem into a continuum solvation framework. This allows the investigation of the solvation of ions and molecules in nonuniform dielectric environments, such as liquid droplets, micelles or membranes, while maintaining the computationally appealing characteristics of continuum solvation models. We describe in detail our implementation, both for the calculation of the Green's function and for its subsequent use in the PCM electrostatic problem. The model is then applied on a few test systems, mainly to analyze the effect of interface curvature on solvation energetics. PMID:27036423

  4. Energetic Salts Based on Tetrazole N-Oxide.

    PubMed

    He, Piao; Zhang, Jian-Guo; Yin, Xin; Wu, Jin-Ting; Wu, Le; Zhou, Zun-Ning; Zhang, Tong-Lai

    2016-06-01

    Energetic materials (explosives, propellants, and pyrotechnics) are used extensively for both civilian and military applications and the development of such materials, particularly in the case of energetic salts, is subject to continuous research efforts all over the world. This Review concerns recent advances in the syntheses, properties, and potential applications of ionic salts based on tetrazole N-oxide. Most of these salts exhibit excellent characteristics and can be classified as a new family of highly energetic materials with increased density and performance, alongside decreased mechanical sensitivity. Additionally, novel tetrazole N-oxide salts are proposed based on a diverse array of functional groups and ions pairs, which may be promising candidates for new energetic materials. PMID:27061423

  5. Use of energetic ion beams in materials synthesis and processing

    SciTech Connect

    Appleton, B R

    1991-01-01

    A brief review of the use energetic ion beams and related techniques for the synthesis, processing, and characterization of materials is presented. Selected opportunity areas are emphasized with examples, and references are provided for more extensive coverage.

  6. Energetic ion production in high current hollow cathodes

    NASA Astrophysics Data System (ADS)

    Foster, John; Kovach, Yao; Arthur, Neil; Viges, Eric; Davis, Chris

    2015-09-01

    High power Hall and gridded ion thrusters are being considered as a propulsion option supporting human operations (cargo or tug) to Mars. These engines utilize hollow cathodes for plasma production and beam neutralization. It has now been well documented that these cathodes produce energetic ions when operated at high current densities. Such ions are observed with peak energies approaching 100 eV. Because these ions can drive erosion of the cathode assembly, they represent a credible failure mode. An understanding of energetic ion production and approaches to mitigation is therefore desired. Presented here are data documenting the presence of energetic ions for both a barium oxide and a lanthanum hexaboride cathode as measured using a retarding potential analyzer. Also presented are energetic ion mitigation approaches, which are designed to eliminate the ion energy transfer mechanism. NASA SBIR Contract NNX15CP62P.

  7. An Interdisciplinary Approach to Dinosaur Fossils, Morphology, Ethology, and Energetics.

    ERIC Educational Resources Information Center

    Zipko, Stephen J.

    1981-01-01

    Describes an interdisciplinary minicourse on dinosaur fossils, morphology, ethology, and energetics. Suggests and provides examples of hands-on activities for junior high school- through college-level students. (DS)

  8. Potential for composting energetic material production wastes. Final report

    SciTech Connect

    Adrian, N.R.; Stratta, J.M.; Donahue, B.A.

    1995-09-01

    U.S. Army installations that manufacture munitions generate large quantities of energetic material (EM) and solid waste contaminated with energetic material (energetic material-contaminated waste, or EMCW). Disposal of EM and EMCW by open burning or open detonation (OB/OD) has been the practice for many years, but increasingly stringent environmental regulations are curtailing OB/OD operations. Although composting has been used in some instances for explosive-contaminated soils, it has not been examined for use with munitions production wastes. A literature search showed that many explosives are biodegradable and that some explosive-contaminated soils can also be treated by composting. A potential exists to treat munition production wastes by composting or other biological treatment processes. This study concluded that further investigation is needed to determine and test: (1) the energetic compounds that can be biodegraded, and (2) the conditions under which biological treatment processes can occur.

  9. Inverse energy dispersion of energetic ions observed in the magnetosheath

    NASA Astrophysics Data System (ADS)

    Lee, S. H.; Sibeck, D. G.; Hwang, K.-J.; Wang, Y.; Silveira, M. V. D.; Fok, M.-C.; Mauk, B. H.; Cohen, I. J.; Ruohoniemi, J. M.; Kitamura, N.; Burch, J. L.; Giles, B. L.; Torbert, R. B.; Russell, C. T.; Lester, M.

    2016-07-01

    We present a case study of energetic ions observed by the Energetic Particle Detector (EPD) on the Magnetospheric Multiscale spacecraft in the magnetosheath just outside the subsolar magnetopause that occurred at 1000 UT on 8 December 2015. As the magnetopause receded inward, the EPD observed a burst of energetic (˜50-1000 keV) proton, helium, and oxygen ions that exhibited an inverse dispersion, with the lowest energy ions appearing first. The prolonged interval of fast antisunward flow observed in the magnetosheath and transient increases in the H components of global ground magnetograms demonstrate that the burst appeared at a time when the magnetosphere was rapidly compressed. We attribute the inverse energy dispersion to the leakage along reconnected magnetic field lines of betatron-accelerated energetic ions in the magnetosheath, and a burst of reconnection has an extent of about 1.5 RE using combined Super Dual Auroral Radar Network radar and EPD observations.

  10. Energetic ion transport by microturbulence is insignificant in tokamaks

    SciTech Connect

    Pace, D. C.; Petty, C. C.; Staebler, G. M.; Van Zeeland, M. A.; Waltz, R. E.; Austin, M. E.; Bass, E. M.; Budny, R. V.; Gorelenkova, M.; Grierson, B. A.; McCune, D. C.; Yuan, X.; Heidbrink, W. W.; Muscatello, C. M.; Zhu, Y. B.; Hillesheim, J. C.; Rhodes, T. L.; Wang, G.; Holcomb, C. T.; McKee, G. R.; and others

    2013-05-15

    Energetic ion transport due to microturbulence is investigated in magnetohydrodynamic-quiescent plasmas by way of neutral beam injection in the DIII-D tokamak [J. L. Luxon, Nucl. Fusion 42, 614 (2002)]. A range of on-axis and off-axis beam injection scenarios are employed to vary relevant parameters such as the character of the background microturbulence and the value of E{sub b}/T{sub e}, where E{sub b} is the energetic ion energy and T{sub e} the electron temperature. In all cases, it is found that any transport enhancement due to microturbulence is too small to observe experimentally. These transport effects are modeled using numerical and analytic expectations that calculate the energetic ion diffusivity due to microturbulence. It is determined that energetic ion transport due to coherent fluctuations (e.g., Alfvén eigenmodes) is a considerably larger effect and should therefore be considered more important for ITER.

  11. Surface energetics and protein-protein interactions: analysis and mechanistic implications.

    PubMed

    Peri, Claudio; Morra, Giulia; Colombo, Giorgio

    2016-01-01

    Understanding protein-protein interactions (PPI) at the molecular level is a fundamental task in the design of new drugs, the prediction of protein function and the clarification of the mechanisms of (dis)regulation of biochemical pathways. In this study, we use a novel computational approach to investigate the energetics of aminoacid networks located on the surface of proteins, isolated and in complex with their respective partners. Interestingly, the analysis of individual proteins identifies patches of surface residues that, when mapped on the structure of their respective complexes, reveal regions of residue-pair couplings that extend across the binding interfaces, forming continuous motifs. An enhanced effect is visible across the proteins of the dataset forming larger quaternary assemblies. The method indicates the presence of energetic signatures in the isolated proteins that are retained in the bound form, which we hypothesize to determine binding orientation upon complex formation. We propose our method, BLUEPRINT, as a complement to different approaches ranging from the ab-initio characterization of PPIs, to protein-protein docking algorithms, for the physico-chemical and functional investigation of protein-protein interactions. PMID:27050828

  12. Surface energetics and protein-protein interactions: analysis and mechanistic implications

    PubMed Central

    Peri, Claudio; Morra, Giulia; Colombo, Giorgio

    2016-01-01

    Understanding protein-protein interactions (PPI) at the molecular level is a fundamental task in the design of new drugs, the prediction of protein function and the clarification of the mechanisms of (dis)regulation of biochemical pathways. In this study, we use a novel computational approach to investigate the energetics of aminoacid networks located on the surface of proteins, isolated and in complex with their respective partners. Interestingly, the analysis of individual proteins identifies patches of surface residues that, when mapped on the structure of their respective complexes, reveal regions of residue-pair couplings that extend across the binding interfaces, forming continuous motifs. An enhanced effect is visible across the proteins of the dataset forming larger quaternary assemblies. The method indicates the presence of energetic signatures in the isolated proteins that are retained in the bound form, which we hypothesize to determine binding orientation upon complex formation. We propose our method, BLUEPRINT, as a complement to different approaches ranging from the ab-initio characterization of PPIs, to protein-protein docking algorithms, for the physico-chemical and functional investigation of protein-protein interactions. PMID:27050828

  13. Mutational scanning reveals the determinants of protein insertion and association energetics in the plasma membrane

    PubMed Central

    Elazar, Assaf; Weinstein, Jonathan; Biran, Ido; Fridman, Yearit; Bibi, Eitan; Fleishman, Sarel Jacob

    2016-01-01

    Insertion of helix-forming segments into the membrane and their association determines the structure, function, and expression levels of all plasma membrane proteins. However, systematic and reliable quantification of membrane-protein energetics has been challenging. We developed a deep mutational scanning method to monitor the effects of hundreds of point mutations on helix insertion and self-association within the bacterial inner membrane. The assay quantifies insertion energetics for all natural amino acids at 27 positions across the membrane, revealing that the hydrophobicity of biological membranes is significantly higher than appreciated. We further quantitate the contributions to membrane-protein insertion from positively charged residues at the cytoplasm-membrane interface and reveal large and unanticipated differences among these residues. Finally, we derive comprehensive mutational landscapes in the membrane domains of Glycophorin A and the ErbB2 oncogene, and find that insertion and self-association are strongly coupled in receptor homodimers. DOI: http://dx.doi.org/10.7554/eLife.12125.001 PMID:26824389

  14. SEPEM: A tool for statistical modeling the solar energetic particle environment

    NASA Astrophysics Data System (ADS)

    Crosby, Norma; Heynderickx, Daniel; Jiggens, Piers; Aran, Angels; Sanahuja, Blai; Truscott, Pete; Lei, Fan; Jacobs, Carla; Poedts, Stefaan; Gabriel, Stephen; Sandberg, Ingmar; Glover, Alexi; Hilgers, Alain

    2015-07-01

    Solar energetic particle (SEP) events are a serious radiation hazard for spacecraft as well as a severe health risk to humans traveling in space. Indeed, accurate modeling of the SEP environment constitutes a priority requirement for astrophysics and solar system missions and for human exploration in space. The European Space Agency's Solar Energetic Particle Environment Modelling (SEPEM) application server is a World Wide Web interface to a complete set of cross-calibrated data ranging from 1973 to 2013 as well as new SEP engineering models and tools. Both statistical and physical modeling techniques have been included, in order to cover the environment not only at 1 AU but also in the inner heliosphere ranging from 0.2 AU to 1.6 AU using a newly developed physics-based shock-and-particle model to simulate particle flux profiles of gradual SEP events. With SEPEM, SEP peak flux and integrated fluence statistics can be studied, as well as durations of high SEP flux periods. Furthermore, effects tools are also included to allow calculation of single event upset rate and radiation doses for a variety of engineering scenarios.

  15. Multiscale Modeling of Grain Boundaries in ZrB2: Structure, Energetics, and Thermal Resistance

    NASA Technical Reports Server (NTRS)

    Lawson, John W.; Daw, Murray S.; Squire, Thomas H.; Bauschlicher, Charles W., Jr.

    2012-01-01

    A combination of ab initio, atomistic and finite element methods (FEM) were used to investigate the structures, energetics and lattice thermal conductance of grain boundaries for the ultra high temperature ceramic ZrB2. Atomic models of idealized boundaries were relaxed using density functional theory. Information about bonding across the interfaces was determined from the electron localization function. The Kapitza conductance of larger scale versions of the boundary models were computed using non-equilibrium molecular dynamics. The interfacial thermal parameters together with single crystal thermal conductivities were used as parameters in microstructural computations. FEM meshes were constructed on top of microstructural images. From these computations, the effective thermal conductivity of the polycrystalline structure was determined.

  16. Protein Frustratometer 2: a tool to localize energetic frustration in protein molecules, now with electrostatics

    PubMed Central

    Parra, R. Gonzalo; Schafer, Nicholas P.; Radusky, Leandro G.; Tsai, Min-Yeh; Guzovsky, A. Brenda; Wolynes, Peter G.; Ferreiro, Diego U.

    2016-01-01

    The protein frustratometer is an energy landscape theory-inspired algorithm that aims at localizing and quantifying the energetic frustration present in protein molecules. Frustration is a useful concept for analyzing proteins’ biological behavior. It compares the energy distributions of the native state with respect to structural decoys. The network of minimally frustrated interactions encompasses the folding core of the molecule. Sites of high local frustration often correlate with functional regions such as binding sites and regions involved in allosteric transitions. We present here an upgraded version of a webserver that measures local frustration. The new implementation that allows the inclusion of electrostatic energy terms, important to the interactions with nucleic acids, is significantly faster than the previous version enabling the analysis of large macromolecular complexes within a user-friendly interface. The webserver is freely available at URL: http://frustratometer.qb.fcen.uba.ar. PMID:27131359

  17. Protein Frustratometer 2: a tool to localize energetic frustration in protein molecules, now with electrostatics.

    PubMed

    Parra, R Gonzalo; Schafer, Nicholas P; Radusky, Leandro G; Tsai, Min-Yeh; Guzovsky, A Brenda; Wolynes, Peter G; Ferreiro, Diego U

    2016-07-01

    The protein frustratometer is an energy landscape theory-inspired algorithm that aims at localizing and quantifying the energetic frustration present in protein molecules. Frustration is a useful concept for analyzing proteins' biological behavior. It compares the energy distributions of the native state with respect to structural decoys. The network of minimally frustrated interactions encompasses the folding core of the molecule. Sites of high local frustration often correlate with functional regions such as binding sites and regions involved in allosteric transitions. We present here an upgraded version of a webserver that measures local frustration. The new implementation that allows the inclusion of electrostatic energy terms, important to the interactions with nucleic acids, is significantly faster than the previous version enabling the analysis of large macromolecular complexes within a user-friendly interface. The webserver is freely available at URL: http://frustratometer.qb.fcen.uba.ar. PMID:27131359

  18. Direct Manipulation Interfaces.

    ERIC Educational Resources Information Center

    Hutchins, Edwin L.; And Others

    This paper presents a cognitive account of both the advantages and disadvantages of direct manipulation interfaces, i.e., the use of icons to manipulate and interact directly with data rather than writing programs or calling on a set of statistical subroutines. Two underlying phenomena that give rise to the sensation of directness are identified.…

  19. Interfacing with a DMM.

    ERIC Educational Resources Information Center

    Beatty, Jim

    1985-01-01

    Suggests purchasing a digital multimer (DMM) with an IEEE-488 option to interface an instrument to a microcomputer, indicating that a DMM is well protected from overloads and is easy to connect. An example of its use in an experiment involving hydrolysis of tertiary butyl alcohol (with program listing) is given. (JN)

  20. A Thermistor Interface.

    ERIC Educational Resources Information Center

    Kamin, Gary D.; Dowden, Edward

    1987-01-01

    Describes the use of a precalibrated stainless steel thermistor, interfaced with an Apple computer, in chemistry experiments. Discusses the advantages of "instant" temperature readings in experiments requiring that readings be taken at certain intervals. Outlines such an experiment which investigates freezing point depressions. (TW)

  1. Photochemistry at Interfaces

    SciTech Connect

    Eisenthal, Kenneth B

    2015-02-24

    We have advanced our capabilities to investigate ultrafast excited state dynamics at a liquid interface using a pump to excite molecules to higher electronic states and then probe the subsequent time evolution of the interfacial molecules with femtosecond time delayed vibrational SFG.

  2. Videodisc-Computer Interfaces.

    ERIC Educational Resources Information Center

    Zollman, Dean

    1984-01-01

    Lists microcomputer-videodisc interfaces currently available from 26 sources, including home use systems connected through remote control jack and industrial/educational systems utilizing computer ports and new laser reflective and stylus technology. Information provided includes computer and videodisc type, language, authoring system, educational…

  3. the EXFOR interface

    Energy Science and Technology Software Center (ESTSC)

    2011-03-10

    The x4i package is an interface to the EXFOR nuclear data library. It simplifies retrieval of EXFOR entries and can automatically parse them, allowing one to extract cross-section (and other) data in a simple, plot-able format. x4i also understands and can parse the entire reaction string, allowing one to build a strategy for processing the data

  4. Virtual interface environment

    NASA Technical Reports Server (NTRS)

    Fisher, Scott S.

    1988-01-01

    A head-mounted, wide-angle, stereoscopic display system controlled by operator position, voice and gesture is under development for use as a multipurpose interface environment. Initial applications of the system are in telerobotics, data-management and human factors research. System configuration and research directions are described.

  5. African easterly wave energetics on intraseasonal timescales

    NASA Astrophysics Data System (ADS)

    Alaka, Ghassan J., Jr.

    African easterly waves (AEWs) are synoptic-scale eddies that dominate North African weather in boreal summer. AEWs propagate westward with a maximum amplitude near 700 hPa and a period of 2.5-6-days. AEWs and associated perturbation kinetic energy (PKE) exhibit significant intraseasonal variability in tropical North Africa during boreal summer, which directly impacts local agriculture and tropical cyclogenesis. This study performs a comprehensive analysis of the 30-90-day variability of AEWs and associated energetics using both reanalysis data and model output. Specifically, the PKE and perturbation available potential energy (PAPE) budgets are used to understand the factors that contribute to PKE maxima in West Africa and the extent to which these surges of AEW activity are modulated by the Madden-Julian oscillation (MJO). The role of the MJO in the intraseasonal variability of AEWs is assessed by comparing PKE sources as a function of an MJO index and a local 30-90-day West African PKE index. Since East Africa is an initiation zone for AEW activity and is modulated by the MJO, the relationship between this region and West Africa is a primary focus in this study. The intraseasonal variability of AEW energetics is first investigated in reanalysis products. While reanalysis data depicts a similar evolution of 30-90-day PKE anomalies in both the MJO and a local PKE index, the MJO index describes only a small (yet still significant) fraction of the local 30-90-day variance. In boreal summers with more significant MJO days, the correlation between the two indices is higher. Baroclinic energy conversions are important for the initiation of 30-90-day West African PKE events east of Lake Chad. In West Africa, both barotropic and baroclinic energy conversions maintain positive PKE anomalies before they propagate into the Atlantic. The primary role of diabatic heating is to destroy PAPE in a negative feedback to baroclinic energy conversions in West Africa. More frequent

  6. Dynamic disorder and the energetic costs of information transduction

    SciTech Connect

    Thill, Peter

    2014-07-07

    We study a model of dynamic disorder relevant for signal transduction pathways in which enzymatic reaction rates fluctuate over several orders of magnitude. For the simple networks we consider, dynamic disorder drives the system far from equilibrium and imposes an energetic burden for high fidelity signaling capability. We study how the dynamics of the underlying stochastic behavior in the reaction rate process is related to the energetic cost of transmitting information through the network.

  7. Possible detection of energetic Jovian heavy ions at Skylab orbit

    NASA Technical Reports Server (NTRS)

    Price, P. B.

    1979-01-01

    Evidence for the presence of sodium ions at a concentration about 10% that of oxygen among the particles with energies 10 to 20 MeV/nucleon seen with a detector on Skylab suggests that Jupiter is a significant source of energetic heavy particles inside the earth's magnetosphere. A numerical estimate based on the density of energetic sodium ions at 50 Jupiter radii measured on Voyager 1 indicates that the source strength is adequate.

  8. Synthesis and Characterization of Mixed Metal Oxide Nanocomposite Energetic Materials

    SciTech Connect

    Clapsaddle, B; Gash, A; Plantier, K; Pantoya, M; Jr., J S; Simpson, R

    2004-04-27

    In the field of composite energetic materials, properties such as ingredient distribution, particle size, and morphology affect both sensitivity and performance. Since the reaction kinetics of composite energetic materials are typically controlled by the mass transport rates between reactants, one would anticipate new and potentially exceptional performance from energetic nanocomposites. We have developed a new method of making nanostructured energetic materials, specifically explosives, propellants, and pyrotechnics, using sol-gel chemistry. A novel sol-gel approach has proven successful in preparing metal oxide/silicon oxide nanocomposites in which the metal oxide is the major component. By introducing a fuel metal, such as aluminum, into the metal oxide/silicon oxide matrix, energetic materials based on thermite reactions can be fabricated. Two of the metal oxides are tungsten trioxide and iron(III) oxide, both of which are of interest in the field of energetic materials. In addition, due to the large availability of organically functionalized silanes, the silicon oxide phase can be used as a unique way of introducing organic additives into the bulk metal oxide materials. These organic additives can cause the generation of gas upon ignition of the materials, therefore resulting in a composite material that can perform pressure/volume work. Furthermore, the desired organic functionality is well dispersed throughout the composite material on the nanoscale with the other components, and is therefore subject to the same increased reaction kinetics. The resulting nanoscale distribution of all the ingredients displays energetic properties not seen in its microscale counterparts due to the expected increase of mass transport rates between the reactants. The synthesis and characterization of iron(III) oxide/organosilicon oxide nanocomposites and their performance as energetic materials will be discussed.

  9. Dynamic disorder and the energetic costs of information transduction

    NASA Astrophysics Data System (ADS)

    Thill, Peter

    2014-07-01

    We study a model of dynamic disorder relevant for signal transduction pathways in which enzymatic reaction rates fluctuate over several orders of magnitude. For the simple networks we consider, dynamic disorder drives the system far from equilibrium and imposes an energetic burden for high fidelity signaling capability. We study how the dynamics of the underlying stochastic behavior in the reaction rate process is related to the energetic cost of transmitting information through the network.

  10. SRAM As An Array Of Energetic-Ion Detectors

    NASA Technical Reports Server (NTRS)

    Buehler, Martin G.; Blaes, Brent R.; Lieneweg, Udo; Nixon, Robert H.

    1993-01-01

    Static random-access memory (SRAM) designed for use as array of energetic-ion detectors. Exploits well-known tendency of incident energetic ions to cause bit flips in cells of electronic memories. Design of ion-detector SRAM involves modifications of standard SRAM design to increase sensitivity to ions. Device fabricated by use of conventional complementary metal oxide/semiconductor (CMOS) processes. Potential uses include gas densimetry, position sensing, and measurement of cosmic-ray spectrum.

  11. Energetics of S-adenosylmethionine synthetase catalysis.

    PubMed

    McQueney, M S; Anderson, K S; Markham, G D

    2000-04-18

    S-adenosylmethionine synthetase (ATP:L-methionine S-adenosyltransferase) catalyzes the only known route of biosynthesis of the primary biological alkylating agent. The internal thermodynamics of the Escherichia coli S-adenosylmethionine (AdoMet) synthetase catalyzed formation of AdoMet, pyrophosphate (PP(i)), and phosphate (P(i)) from ATP, methionine, and water have been determined by a combination of pre-steady-state kinetics, solvent isotope incorporation, and equilibrium binding measurements in conjunction with computer modeling. These studies provided the rate constants for substrate binding, the two chemical interconversion steps [AdoMet formation and subsequent tripolyphosphate (PPP(i)) hydrolysis], and product release. The data demonstrate the presence of a kinetically significant isomerization of the E.AdoMet.PP(i).P(i) complex before product release. The free energy profile for the enzyme-catalyzed reaction under physiological conditions has been constructed using these experimental values and in vivo concentrations of substrates and products. The free energy profile reveals that the AdoMet formation reaction, which has an equilibrium constant of 10(4), does not have well-balanced transition state and ground state energies. In contrast, the subsequent PPP(i) hydrolytic reaction is energetically better balanced. The thermodynamic profile indicates the use of binding energies for catalysis of AdoMet formation and the necessity for subsequent PPP(i) hydrolysis to allow enzyme turnover. Crystallographic studies have shown that a mobile protein loop gates access to the active site. The present kinetic studies indicate that this loop movement is rapid with respect to k(cat) and with respect to substrate binding at physiological concentrations. The uniformly slow binding rates of 10(4)-10(5) M(-)(1) s(-)(1) for ligands with different structures suggest that loop movement may be an intrinsic property of the protein rather than being ligand induced. PMID:10757994

  12. Marginal Stability Dynamics for Energetic Particles

    NASA Astrophysics Data System (ADS)

    Berk, Herbert

    2009-11-01

    Marginal stability in plasmas characteristically sets a stiff limit to the range of that can be achieved. Below this limit, the system is governed by classical. Near marginal stability, however, plasmas may be subject to rapid processes, resulting in a system that hovers near marginality. This scenario emerged from nonlinear studies of energetic particle relaxation and may be to more general plasma transport. We describe results from several such which include. [1] Avalanches---Near marginal stability, an important point is whether an instability driven by resonant particles where the distribution function has ``free energy'' will cause global radial diffusion. For that,modes need to overlap. This process can be continuous or bursty, the latter having been recently observed in NSTX and DIII-D. [2] Frequency chirping---Recent simulations by Vann showed that marginal stability can be sustained when there is only one unstable linear mode, due to the mechanism of spontaneous frequency sweeping. Although a single mode near stability should not cause dramatic relaxation, nevertheless in the Vann simulations, the achievement of marginal stability induced a continual chirping of that had removed energy from the bulk of the region where the external beam to deposit free energy. The distribution was then found to hover near stability. This mechanism may apply to the n=0 GAM where frequency sweeping might be a mechanism for extracting energy from alpha particles in a burning plasma, thereby reducing the stored alpha particle pressure. One way to implement this is to have the n=0 geodesic acoustic modes (GAM) be preferentially excited, since energy rather than momentum (leading to spatial diffusion) is then primarily extracted from alpha particles.

  13. Energetic and spatial constraints of arterial networks.

    PubMed

    Rossitti, S

    1995-06-01

    The principle of minimum work (PMW) is a parametric optimization model for the growth and adaptation of arterial trees. A balance between energy dissipation due to frictional resistance of laminar flow (shear stress) and the minimum volume of the blood and vessel wall tissue is achieved when the vessel radii are adjusted to the cube root of the volumetric flow. The PMW is known to apply over several magnitudes of vessel calibers, and in many different organs, including the brain, in humans and in animals. Animal studies suggest that blood flow in arteries is approximately proportional to the cube of the vessel radius, and that arteries alter their caliber in response to sustained changes of blood flow according to PMW. Remodelling of the retinal arteriolar network to long-term changes in blood flow was observed in humans. Remodelling of whole arterial networks occurs in the form of increase or diminishing of vessel calibers. Shear stress induced endothelial mediation seems to be the regulating mechanism for the maintenance of this optimum blood flow/vessel diameter relation. Arterial trees are also expected to be nearly space filing. The vascular system is constructed in such a way that, while blood vessels occupy only a small percentage of the body volume leaving the bulk to tissue, they also crisscross organs so tightly that every point in the tissue lies on the boundary between an artery and a vein. This review describes how the energetic optimum principle for least energy cost for blood flow is also compatible with the spatial constraints of arterial networks according to concepts derived from fractal geometry. PMID:7487549

  14. Energetic electrons in the magnetosphere of Saturn

    NASA Technical Reports Server (NTRS)

    Randall, B. A.

    1994-01-01

    The energy spectra and angular distributions of electrons observed by Pioneer 11 as a function of radial distance in the inner magnetosphere of Saturn are reanalyzed and phase space densities are then calculated. The radial dependence of phase space density requires a distributed loss process. The loss is greatest in the region of the E ring (5.5 less than L less than 8.5) and is attributed to collisions with the ring particles in agreement with earlier work by Van Allen et al. (1980). Quantitative analysis yields the following properties of the E ring: the particle radii are in the range of 4 x 10(exp -5) to 3.2 x 10(exp -4) cm and the thickness of the ring is approximately 3 R(sub s). Between the inner edge of the E ring (5.5 R(sub s)) and the outer edge of the A ring (2.3 R(sub s)) there are more energetic electrons than can be supplied by radial diffusion from an external source. Detailed calculations show that a cosmic ray albedo neutron decay (CRAND) source in the A and B rings is a plausible source for this excess. The radial diffusion coefficient required to explain the E ring absorption and CRAND source for electrons is 1 x 10(exp -12) greater than D(sub 0) greater than 3 x 10(exp -12) R(exp 2, sub s)/s, assuming that D(sub LL) = D(sub 0)L(exp 3). As part of the reanalysis program, a method for the deconvolution of pitch angle distributions observed by simple detectors on a rotating spacecraft is developed. This process removes the instrumental response and rotational smear due to finite sampling periods and yields true angular distributions.

  15. Energetic electrons in the magnetophere of Saturn

    NASA Technical Reports Server (NTRS)

    Randall, B. A.

    1994-01-01

    The energy spectra and angular distributions of electrons observed by Pioneer 11 as a function of radial distance in the inner magnetosphere of Saturn are reanalyzed and phase space densities are then calculated. The radial dependence of phase space density requires a distributed loss process. The loss is greatest in the region of the E ring (5.5 less than L less than 8.5) and is attributed to collisions with the ring particles in agreement with earlier work by Van Allen et al. (1980b). Quantitative analysis yields the following properties of the E ring: the particle radii are in the range of 4 x 10(exp -5) to 3.2 x 10(exp -4) cm and the thickness of the ring is approximately 3 R(sub s). Between the inner edge of the E ring (5.5 R(sub s)) and the outer edge of the A ring (2.3 R(sub s)) there are more energetic electrons than can be supplied by radial diffusion from an external source. Detailed calculations show that a cosmic ray albedo neutron decay (CRAND) source in the A and B rings is a plausible source for this excess. The radial diffusion coefficient required to explain the E ring absorption and CRAND source for electrons is 1 x 10(exp -12) greater than D(sub 0) greater than 3 x 10(exp -12) R(sub s)(exp 2)/s, assuming that D(sub LL) = D(sub 0)L(exp 3). As part of the reanalysis program, a method for the deconvolution of pitch angle distributions observed by simple detectors on a rotating spacecraft is developed. This process removes the instrumental response and rotational smear due to finite sampling periods and yields true angular distributions.

  16. University of Rochester, Laboratory for Laser Energetics

    NASA Astrophysics Data System (ADS)

    1987-01-01

    In FY86 the Laboratory has produced a list of accomplishments in which it takes pride. LLE has met every laser-fusion program milestone to date in a program of research for direct-drive ultraviolet laser fusion originally formulated in 1981. LLE scientists authored or co-authored 135 scientific papers during 1985 to 1986. The collaborative experiments with NRL, LANL, and LLNL have led to a number of important ICF results. The cryogenic target system developed by KMS Fusion for LLE will be used in future high-density experiments on OMEGA to demonstrate the compression of thermonuclear fuel to 100 to 200 times that of solid (20 to 40 g/cm) in a test of the direct-drive concept, as noted in the National Academy of Sciences' report. The excellence of the advanced technology efforts at LLE is illustrated by the establishment of the Ultrafast Science Center by the Department of Defense through the Air Force Office of Scientific Research. Research in the Center will concentrate on bridging the gap between high-speed electronics and ultrafast optics by providing education, research, and development in areas critical to future communications and high-speed computer systems. The Laboratory for Laser Energetics continues its pioneering work on the interaction of intense radiation with matter. This includes inertial-fusion and advanced optical and optical electronics research; training people in the technology and applications of high-power, short-pulse lasers; and interacting with the scientific community, business, industry, and government to promote the growth of laser technology.

  17. Spectral energetics of the lower thermosphere

    SciTech Connect

    Raskin, R.G.

    1992-01-01

    A spectral energetics analysis of the lower thermosphere is carried out using simulated data from the NCAR Thermosphere-Ionosphere General Circulation Model (TIGCM). The results clarify the physical processes through which upwardly propagating semidiurnal tides dissipate and release their energy into the lower thermosphere. Energy residing within the study region is partitioned into reservoirs of available potential energy, irrotational kinetic energy, and nondivergent kinetic energy at four vertical levels. A definition of available potential energy is used that is appropriate for regions of variable mean molecular weight. The reservoirs are further subdivided by vector spherical harmonic wave numbers, and an energy budget is computed for each mode. The source, sink, and transformation terms are obtained using a post-processor that reproduces the contribution of each term in the momentum and thermodynamic equations. The loss terms for the zonal wave number two modes represent the dissipating forces for the semidiurnal tides. Viscosity, heat conduction, and ion drag represent the primary dissipative forces. Numerical smoothing within the TIGCM, representing the subgrid-scale diffusion, is found to have a non-negligible contribution to the tidal dissipation. A small terdiurnal tide that is excited by ion drag is also observed in the model. A sensitivity analysis is carried out to ascertain the effects of the seasonal cycle, solar cycle, UT, and geomagnetic activity. At solar maximum, solar heating at the trough of the tide is an important dissipative force; the altitude of tidal dissipation is correspondingly lower. At high values of geomagnetic forcing, the propagating semidiurnal tide is completely dissipated within the study region.

  18. Diagnostics of Solar Flare Energetic Particles

    NASA Astrophysics Data System (ADS)

    Mallik, Procheta; Brown, J. C.; MacKinnon, A. L.

    2009-05-01

    For work on my thesis dissertation, we have been studying some energetic processes in solar flares. On our work on Hard X-ray (HXR) emission from flares, we have shown that recombination emission can exceed the bremsstrahlung HXR flux for certain flare conditions. We will show some spectral features characteristic of non-thermal recombination HXR emission and will suggest how it plays a significant role in the flare HXR continuum, something that has been ignored in the past. It is important to note that these results could demand a reconsideration of the numbers of accelerated electrons since recombination can be much more efficient in producing HXR photons than bremsstrahlung. In related work on diagnosing particle acceleration in flares, we also have an interest in studying solar neutrons. To this end, we will present our work done with new-age neutron detectors developed by our colleagues at the University of New Hampshire. Using laboratory and simulated data from the detector to produce its response matrix, we then employ regularisation and deconvolution techniques to produce encouraging results for data inversion. As a corollary, we have also been reconsidering the role of inverse Compton (IC) scattering of photospheric photons. Gamma-ray observations clearly show the presence of 100 MeV electrons and positrons in the solar corona, by-products of GeV energy ions. Here we will present results of IC scattering of such photons taking proper account of radiation field geometry near the solar surface. If observed, such radiation would let us determine the number of secondary positrons produced in large flares, contributing to a full picture of ion acceleration and to predicting neutron fluxes to be encountered by future inner heliosphere space missions. This work is supported by a UK STFC Rolling Grant and a Dorothy Hodgkin's Scholarship (PM).

  19. Mitochondria and Energetic Depression in Cell Pathophysiology

    PubMed Central

    Seppet, Enn; Gruno, Marju; Peetsalu, Ants; Gizatullina, Zemfira; Nguyen, Huu Phuc; Vielhaber, Stefan; Wussling, Manfred H.P.; Trumbeckaite, Sonata; Arandarcikaite, Odeta; Jerzembeck, Doreen; Sonnabend, Maria; Jegorov, Katharina; Zierz, Stephan; Striggow, Frank; Gellerich, Frank N.

    2009-01-01

    Mitochondrial dysfunction is a hallmark of almost all diseases. Acquired or inherited mutations of the mitochondrial genome DNA may give rise to mitochondrial diseases. Another class of disorders, in which mitochondrial impairments are initiated by extramitochondrial factors, includes neurodegenerative diseases and syndromes resulting from typical pathological processes, such as hypoxia/ischemia, inflammation, intoxications, and carcinogenesis. Both classes of diseases lead to cellular energetic depression (CED), which is characterized by decreased cytosolic phosphorylation potential that suppresses the cell’s ability to do work and control the intracellular Ca2+ homeostasis and its redox state. If progressing, CED leads to cell death, whose type is linked to the functional status of the mitochondria. In the case of limited deterioration, when some amounts of ATP can still be generated due to oxidative phosphorylation (OXPHOS), mitochondria launch the apoptotic cell death program by release of cytochrome c. Following pronounced CED, cytoplasmic ATP levels fall below the thresholds required for processing the ATP-dependent apoptotic cascade and the cell dies from necrosis. Both types of death can be grouped together as a mitochondrial cell death (MCD). However, there exist multiple adaptive reactions aimed at protecting cells against CED. In this context, a metabolic shift characterized by suppression of OXPHOS combined with activation of aerobic glycolysis as the main pathway for ATP synthesis (Warburg effect) is of central importance. Whereas this type of adaptation is sufficiently effective to avoid CED and to control the cellular redox state, thereby ensuring the cell survival, it also favors the avoidance of apoptotic cell death. This scenario may underlie uncontrolled cellular proliferation and growth, eventually resulting in carcinogenesis. PMID:19564950

  20. Green primaries: Environmentally friendly energetic complexes

    PubMed Central

    Huynh, My Hang V.; Hiskey, Michael A.; Meyer, Thomas J.; Wetzler, Modi

    2006-01-01

    Primary explosives are used in small quantities to generate a detonation wave when subjected to a flame, heat, impact, electric spark, or friction. Detonation of the primary explosive initiates the secondary booster or main-charge explosive or propellant. Long-term use of lead azide and lead styphnate as primary explosives has resulted in lead contamination at artillery and firing ranges and become a major health hazard and environmental problem for both military and civilian personnel. Devices using lead primary explosives are manufactured by the tens of millions every year in the United States from primers for bullets to detonators for mining. Although substantial synthetic efforts have long been focused on the search for greener primary explosives, this unresolved problem has become a “holy grail” of energetic materials research. Existing candidates suffer from instability or excessive sensitivity, or they possess toxic metals or perchlorate. We report here four previously undescribed green primary explosives based on complex metal dianions and environmentally benign cations, (cat)2[MII(NT)4(H2O)2] (where cat is NH4+ or Na+, M is Fe2+ or Cu2+, and NT− is 5-nitrotetrazolato-N2). They are safer to prepare, handle, and transport than lead compounds, have comparable initiation efficiencies to lead azide, and offer rapid reliable detonation comparable with lead styphnate. Remarkably, they possess all current requirements for green primary explosives and are suitable to replace lead primary explosives in detonators. More importantly, they can be synthesized more safely, do not pose health risks to personnel, and cause much less pollution to the environment. PMID:16567623

  1. Solar Energetic Particles and Space Weather

    NASA Technical Reports Server (NTRS)

    Reames, Donald V.; Tylka, Allan J.; Ng, Chee K.

    2001-01-01

    The solar energetic particles (SEPs) of consequence to space weather are accelerated at shock waves driven out from the Sun by fast coronal mass ejections (CMEs). In the large events, these great shocks fill half of the heliosphere. SEP intensity profiles change appearance with longitude. Events with significant intensities of greater than ten MeV protons occur at an average rate of approx. 13 per year near solar maximum and several events with high intensities of > 100 McV protons occur each decade. As particles stream out along magnetic field lines from a shock near the Sun, they generate waves that scatter subsequent particles. At high intensities, wave growth throttles the flow below the 'streaming limit.' However, if the shock maintains its strength, particle intensities can rise above this limit to a peak when the shock itself passes over the observer creating a 'delayed' radiation hazard, even for protons with energies up to approx. one GeV. The streaming limit makes us blind to the intensities at the oncoming shock, however, heavier elements such as He, O, and Fe probe the shape of the wave spectrum, and variation in abundances of these elements allow us to evade the limit and probe conditions at the shock, with the aid of detailed modeling. At high energies, spectra steepen to form a spectral 'knee'. The location of the proton spectral knee can vary from approx. ten MeV to approx. one GeV, depending on shock conditions, greatly affecting the radiation hazard. Hard spectra are a serious threat to astronauts, placing challenging requirements for shielding, especially on long-duration missions to the moon or Mars.

  2. Cavitation Bubble Nucleation by Energetic Particles

    SciTech Connect

    West, C.D.

    1998-12-01

    In the early sixties, experimental measurements using a bubble chamber confirmed quantitatively the thermal spike theory of bubble nucleation by energetic particles: the energy of the slow, heavy alpha decay recoils used in those experiments matched the calculated bubble nucleation energy to within a few percent. It was a triumph, but was soon to be followed by a puzzle. Within a couple of years, experiments on similar liquids, but well below their normal boiling points, placed under tensile stress showed that the calculated bubble nucleation energy was an order of magnitude less than the recoil energy. Why should the theory work so well in the one case and so badly in the other? How did the liquid, or the recoil particle, "know" the difference between the two experiments? Another mathematical model of the same physical process, introduced in 1967, showed qualitatively why different analyses would be needed for liquids with high and low vapor pressures under positive or negative pressures. But, the quantitative agreement between the calculated nucleation energy and the recoil energy was still poor--the former being smaller by a factor of two to three. In this report, the 1967 analysis is extended and refined: the qualitative understanding of the difference between positive and negative pressure nucleation, "boiling" and "cavitation" respectively, is retained, and agreement between the negative pressure calculated to be needed for nucleation and the energy calculated to be available is much improved. A plot of the calculated negative pressure needed to induce bubble formation against the measured value now has a slope of 1.0, although there is still considerable scatter in the individual points.

  3. Modelling the locomotor energetics of extinct hominids.

    PubMed

    Kramer, P A

    1999-10-01

    Bipedality is the defining characteristic of Hominidae and, as such, an understanding of the adaptive significance and functional implications of bipedality is imperative to any study of human evolution. Hominid bipedality is, presumably, a solution to some problem for the early hominids, one that has much to do with energy expenditure. Until recently, however, little attention could be focused on the quantifiable energetic aspects of bipedality as a unique locomotor form within Primates because of the inability to measure empirically the energy expenditure of non-modern hominids. A recently published method provides a way of circumventing the empirical measurement dilemma by calculating energy expenditure directly from anatomical variables and movement profiles. Although the origins of bipedality remain clouded, two discernible forms of locomotor anatomy are present in the hominid fossil record: the australopithecine and modern configurations. The australopithecine form is best represented by AL 288-1, a partial skeleton of Australopithecus afarensis, and is characterized as having short legs and a wide pelvis. The modern form is represented by modern humans and has long legs and a narrow pelvis. Human walking is optimized to take advantage of the changing levels of potential and kinetic energy that occur as the body and limbs move through the stride cycle. Although this optimization minimizes energy expenditure, some energy is required to maintain motion. I quantify this energy by developing a dynamic model that uses kinematic equations to determine energy expenditure. By representing both configurations with such a model, I can compare their rates of energy expenditure. I find that the australopithecine configuration uses less energy than that of a modern human. Despite arguments presented in the anthropological literature, the shortness of the legs of AL 288-1 provides no evidence that she was burdened with a compromised or transitional locomotor anatomy

  4. Modeling thermally driven energetic response of high explosives

    SciTech Connect

    Sharp, R; Couch, R; McCallen, R C; Nichols III, A L; Otero, I

    1998-02-01

    We have improved our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. Traditionally, the analyses of energetic materials have involved coupled thermal transport/chemical reaction codes. This provides only a reasonable estimate of the time and location of ensuing rapid reaction. To predict the violence of the reaction, the mechanical motion must be included in the wide range of time scales associated with the thermal hazard. The ALE3D code has been modified to assess the hazards associated with heating energetic materials in weapons by coupling to thermal transport model and chemistry models. We have developed an implicit time step option to efficiently and accurately compute the hours of heating to reaction of the energetic material. Since, on these longer time scales materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show two examples of coupled thermal/mechanical/chemical models of energetic materials in thermal environments.

  5. Modeling thermally driven energetic response of high explosives

    SciTech Connect

    Couch, R; McCallen, R C; Nichols III, A L; Otero, I; Sharp, R

    1998-08-17

    We have improved our ability to model the response of energetic materials to thermal stimuli and the processes involved in the energetic response. Traditionally, the analyses of energetic materials have involved coupled thermal transport/chemical reaction codes. This provides only a reasonable estimate of the time and location of ensuing rapid reaction. To predict the violence of the reaction, the mechanical motion must be included in the wide range of time scales associated with the thermal hazard. The ALE3D code has been modified to assess the hazards associated with heating energetic materials in weapons by coupling to thermal transport model and chemistry models. We have developed an implicit time step option to efficiently and accurately compute the hours of heating to reaction of the energetic material. Since, on these longer time scales materials can be expected to have significant motion, it is even more important to provide high-order advection for all components, including the chemical species. We show two examples of coupled thermal/mechanical/chemical models of energetic materials in thermal environments.

  6. The Modeling of Pickup Ion or Energetic Particle Mediated Plasmas

    NASA Astrophysics Data System (ADS)

    Zank, G. P.; Mostafavi, P.; Hunana, P.

    2016-05-01

    Suprathermal energetic particles, such as solar energetic particles (SEPs) in the inner heliosphere and pickup ions (PUIs) in the outer heliosphere and the very local interstellar medium, often form a thermodynamically dominant component in their various environments. In the supersonic solar wind beyond > 10 AU, in the inner heliosheath (IHS), and in the very local interstellar medium (VLISM), PUIs do not equilibrate collisionally with the background plasma. Similarly, SEPs do not equilibrate collisionally with the background solar wind in the inner heliosphere. In the absence of equilibration between plasma components, a separate coupled plasma description for the energetic particles is necessary. Using a collisionless Chapman-Enskog expansion, we derive a closed system of multi-component equations for a plasma comprised of thermal protons and electrons, and suprathermal particles (SEPs, PUIs). The energetic particles contribute an isotropic scalar pressure to leading order, a collisionless heat flux at the next order, and a collisionless stress tensor at the second-order. The collisionless heat conduction and viscosity in the multi-fluid description results from a nonisotropic energetic particle distribution. A simpler single-fluid MHD-like system of equations with distinct equations of state for both the background plasma and the suprathermal particles is derived. We note briefly potential pitfalls that can emerge in the numerical modeling of collisionless plasma flows that contain a dynamically important energetic particle component.

  7. METHOD OF PRODUCING ENERGETIC PLASMA FOR NEUTRON PRODUCTION

    DOEpatents

    Bell, P.R.; Simon, A.; Mackin, R.J. Jr.

    1961-01-24

    A method is given for producing an energetic plasma for neutron production. An energetic plasma is produced in a small magnetically confined subvolume of the device by providing a selected current of energetic molecular ions at least greater than that required for producing a current of atomic ions sufficient to achieve "burnout" of neutral particles in the subvolume. The atomic ions are provided by dissociation of the molecular ions by an energetic arc discharge within the subvolume. After burnout, the arc discharge is terminated, the magnetic fields increased, and cold fuel feed is substituted for the molecular ions. After the subvolume is filled with an energetic plasma, the size of the magnetically confined subvolume is gradually increased until the entire device is filled with an energetic neutron producing plasma. The reactions which take place in the device to produce neutrons will generate a certain amount of heat energy which may be converted by the use of a conventional heat cycle to produce electrical energy.

  8. Helicon wave excitation to produce energetic electrons for manufacturing semiconductors

    DOEpatents

    Molvik, Arthur W.; Ellingboe, Albert R.

    1998-01-01

    A helicon plasma source is controlled by varying the axial magnetic field or rf power controlling the formation of the helicon wave. An energetic electron current is carried on the wave when the magnetic field is 90 G; but there is minimal energetic electron current when the magnetic field is 100 G in one particular plasma source. Similar performance can be expected from other helicon sources by properly adjusting the magnetic field and power to the particular geometry. This control for adjusting the production of energetic electrons can be used in the semiconductor and thin-film manufacture process. By applying energetic electrons to the insulator layer, such as silicon oxide, etching ions are attracted to the insulator layer and bombard the insulator layer at higher energy than areas that have not accumulated the energetic electrons. Thus, silicon and metal layers, which can neutralize the energetic electron currents will etch at a slower or non-existent rate. This procedure is especially advantageous in the multilayer semiconductor manufacturing because trenches can be formed that are in the range of 0.18-0.35 mm or less.

  9. Helicon wave excitation to produce energetic electrons for manufacturing semiconductors

    DOEpatents

    Molvik, A.W.; Ellingboe, A.R.

    1998-10-20

    A helicon plasma source is controlled by varying the axial magnetic field or rf power controlling the formation of the helicon wave. An energetic electron current is carried on the wave when the magnetic field is 90 G; but there is minimal energetic electron current when the magnetic field is 100 G in one particular plasma source. Similar performance can be expected from other helicon sources by properly adjusting the magnetic field and power to the particular geometry. This control for adjusting the production of energetic electrons can be used in the semiconductor and thin-film manufacture process. By applying energetic electrons to the insulator layer, such as silicon oxide, etching ions are attracted to the insulator layer and bombard the insulator layer at higher energy than areas that have not accumulated the energetic electrons. Thus, silicon and metal layers, which can neutralize the energetic electron currents will etch at a slower or non-existent rate. This procedure is especially advantageous in the multilayer semiconductor manufacturing because trenches can be formed that are in the range of 0.18--0.35 mm or less. 16 figs.

  10. High-pressure and temperature investigations of energetic materials

    NASA Astrophysics Data System (ADS)

    Gump, J. C.

    2014-05-01

    Static high-pressure measurements are extremely useful for obtaining thermodynamic and phase stability information from a wide variety of materials. However, studying energetic materials can be challenging when extracting information from static high-pressure measurements. Energetic materials are traditionally C, H, N, O compounds with low crystalline symmetry, producing weak signal in commonly performed x-ray diffraction measurements. The small sample volume available in a static high-pressure cell exacerbates this issue. Additionally, typical hydrostatic compression media, such as methanol/ethanol, may react with many energetic materials. However, characterization of their thermodynamic parameters and phase stability is critical to understanding explosive performance and sensitivity. Crystalline properties, such as bulk modulus and thermal expansion, are necessary to accurately predict the behaviour of shocked solids using hydrodynamic codes. In order to obtain these values, equations of state of various energetic materials were investigated using synchrotron angle-dispersive x-ray diffraction experiments at static high-pressure and temperature. Intense synchrotron radiation overcomes the weak x-ray scattering of energetic materials in a pressure cell. The samples were hydrostatically compressed using a non-reactive hydrostatic medium and heated using a heated diamond anvil cell. Pressure - volume data for the materials were fit to the Birch-Murnaghan and Vinet formalisms to obtain bulk modulus and its first pressure derivative. Temperature - volume data at ambient pressure were fit to obtain the volume thermal expansion coefficient. Data from several energetic materials will be presented and compared.

  11. Compressing inverse lyotropic systems: Structural behavior and energetics of dioleoyl phosphatidyl ethanolamine.

    PubMed

    Pisani, Michela; Narayanan, Theyencheri; Di Gregorio, Giordano M; Ferrero, Claudio; Finet, Stephanie; Mariani, Paolo

    2003-08-01

    The pressure effects on the stability and energetics of lipid phases in the L-alpha-dioleoyl phosphatidyl ethanolamine (DOPE)-water system are presented. Using synchrotron diffraction experiments, performed at a wide range of concentrations, pressure-induced transitions from the inverse hexagonal (H(II)) to the lamellar L(alpha) phase and from the L(alpha) to the lamellar L(beta) phase are demonstrated. Moreover, in the most dehydrated samples an intermediate phase is found between the H(II) and the L(alpha) phases, confirming that the lamellar-to-nonlamellar phase transition occurs through key intermediate structures. Simple molecular packing arguments lead to an interpretation of the phase behavior: in fact, pressure induces a progressive stiffening of the DOPE hydrocarbon chains and a reduction of the cross-sectional area. Because pressure is more effective in reducing the cross-sectional area near the terminal methyl groups than at the water-lipid interface, the curvature of that interface in the H(II) phase is reduced during compression. The work of isothermal compression was then obtained and analyzed in terms of the elastic energetic contributions that should stabilize the DOPE phases during compression. As a result, we observe that the isothermal lateral compression modulus is almost independent of concentration, but it increases as a function of pressure, suggesting that the DOPE repulsion becomes very strong while the whole lipid shape becomes more cylindrical. On the other hand, the bending rigidity is observed to decrease with increasing pressure, while the spontaneous curvature becomes less negative. This suggests that the chain repulsion becomes relatively weaker, and thus less efficient in balancing the torque of head-group repulsion, as the order parameter increases. PMID:14525023

  12. PREFACE: Water at interfaces Water at interfaces

    NASA Astrophysics Data System (ADS)

    Gallo, P.; Rovere, M.

    2010-07-01

    This special issue is devoted to illustrating important aspects and significant results in the field of modeling and simulation of water at interfaces with solutes or with confining substrates, focusing on a range of temperatures from ambient to supercooled. Understanding the behavior of water, in contact with different substrates and/or in solutions, is of pivotal importance for a wide range of applications in physics, chemistry and biochemistry. Simulations of confined and/or interfacial water are also relevant for testing how different its behavior is with respect to bulk water. Simulations and modeling in this field are of particular importance when studying supercooled regions where water shows anomalous properties. These considerations motivated the organization of a workshop at CECAM in the summer of 2009 which aimed to bring together scientists working with computer simulations on the properties of water in various environments with different methodologies. In this special issue, we collected a variety of interesting contributions from some of the speakers of the workshop. We have roughly classified the contributions into four groups. The papers of the first group address the properties of interfacial and confined water upon supercooling in an effort to understand the relation with anomalous behavior of supercooled bulk water. The second group deals with the specific problem of solvation. The next group deals with water in different environments by considering problems of great importance in technological and biological applications. Finally, the last group deals with quantum mechanical calculations related to the role of water in chemical processes. The first group of papers is introduced by the general paper of Stanley et al. The authors discuss recent progress in understanding the anomalies of water in bulk, nanoconfined, and biological environments. They present evidence that liquid water may display 'polymorphism', a property that can be present in

  13. Easy-to-use interface

    SciTech Connect

    Blattner, M M; Blattner, D O; Tong, Y

    1999-04-01

    Easy-to-use interfaces are a class of interfaces that fall between public access interfaces and graphical user interfaces in usability and cognitive difficulty. We describe characteristics of easy-to-use interfaces by the properties of four dimensions: selection, navigation, direct manipulation, and contextual metaphors. Another constraint we introduced was to include as little text as possible, and what text we have will be in at least four languages. Formative evaluations were conducted to identify and isolate these characteristics. Our application is a visual interface for a home automation system intended for a diverse set of users. The design will be expanded to accommodate the visually disabled in the near future.

  14. Interface Configuration Experiment: Preliminary results

    SciTech Connect

    Concus, P.; Finn, R.; Weislogel, M.

    1993-09-01

    The Interface Configuration Experiment (ICE) was carried out on USML-1 to investigate liquid-gas interfaces in certain rotationally-symmetric containers having prescribed, mathematically derived shapes. These containers have the property that they admit an entire continuum of distinct equilibrium rotationally-symmetric interfaces for a given liquid volume and contact angle. Furthermore, it can be shown that none of these interfaces can be stable. It was found, after the containers were filled in orbit, that an initial equilibrium interface from the symmetric continuum reoriented, when perturbed, to a stable interface that was not rotationally symmetric, in accordance with the mathematical theory.

  15. Interface Configuration Experiment: Preliminary Results

    NASA Technical Reports Server (NTRS)

    Concus, Paul; Finn, Robert; Weislogel, Mark

    1994-01-01

    The Interface Configuration Experiment (ICE) was carried out on USML-1 to investigate liquid-gas interfaces in certain rotationally-symmetric containers having prescribed, mathematically derived shapes. These containers have the property that they admit an entire continuum of distinct equilibrium rotationally-symmetric interfaces for a given liquid volume and contact angle. Furthermore, it can be shown that none of these interfaces can be stable. It was found, after the containers were filled in orbit, that an initial equilibrium interface from the symmetric continuum re-oriented, when perturbed, to a stable interface that was not rotationally symmetric, in accordance with the mathematical theory.

  16. Energetic ion losses caused by magnetohydrodynamic activity resonant and non-resonant with energetic ions in Large Helical Device

    NASA Astrophysics Data System (ADS)

    Ogawa, Kunihiro; Isobe, Mitsutaka; Toi, Kazuo; Shimizu, Akihiro; Spong, Donald A.; Osakabe, Masaki; Yamamoto, Satoshi; the LHD Experiment Group

    2014-09-01

    Experiments to reveal energetic ion dynamics associated with magnetohydrodynamic activity are ongoing in the Large Helical Device (LHD). Interactions between beam-driven toroidal Alfvén eigenmodes (TAEs) and energetic ions have been investigated. Energetic ion losses induced by beam-driven burst TAEs have been observed using a scintillator-based lost fast-ion probe (SLIP) in neutral beam-heated high β plasmas. The loss flux of co-going beam ions increases as the TAE amplitude increases. In addition to this, the expulsion of beam ions associated with edge-localized modes (ELMs) has been also recognized in LHD. The SLIP has indicated that beam ions having co-going and barely co-going orbits are affected by ELMs. The relation between ELM amplitude and ELM-induced loss has a dispersed structure. To understand the energetic ion loss process, a numerical simulation based on an orbit-following model, DELTA5D, that incorporates magnetic fluctuations is performed. The calculation result shows that energetic ions confined in the interior region are lost due to TAE instability, with a diffusive process characterizing their loss. For the ELM, energetic ions existing near the confinement/loss boundary are lost through a convective process. We found that the ELM-induced loss flux measured by SLIP changes with the ELM phase. This relation between the ELM amplitude and measured ELM-induced loss results in a more dispersed loss structure.

  17. Bonding at the Metal-Organic Interface

    NASA Astrophysics Data System (ADS)

    Zurek, Eva

    2015-03-01

    We present the results of density functional theory calculations that account for dispersion, which systematically study the perturbations of the electronic structure of various organic molecules physisorbed or weakly chemisorbed to the (111) surfaces of the coinage metal surfaces copper, silver and gold. The molecules considered include: benzene, substituted benzenes, 4-fluorostyrene, tetraphenyl porphyrin, a quinonoid zwitterion, croconic acid and rhodizonic acid. We have employed a frontier orbital perspective to analyze the bonding between the substrate and the adsorbate, studied the charge redistribution at the organic-metal interface, and analyzed how this affects the self-assembly. Our theoretical studies have helped to explain the experimental observations of STM (scanning tunneling microscopy) groups by showing that: tetraphenyl-porphyrin forms attractive networks on the Ag(111) surface and repulsive ones on Cu(111) because of the larger amount of charge transfer on Cu(111); the 10 D dipole of a quinonoid zwitterion changes substantially upon adsorption to the coinage metal surfaces Cu(111), Ag(111) and Au(111) as a result of donation of charge from the molecular HOMO to the surface and back donation to the LUMO; the charge transfer which occurs between the quinonoid zwitterion and Au(111) has been studied as a function of surface coverage; 4-fluorostyrene molecules form clusters of ``magic'' sizes that depend on the metal surface and can be understood in terms of a balance between attractive H-bonding and van der Waals interactions as well as Coulomb repulsion between the molecules; the topological organic ferroelectric molecule croconic acid forms chiral honeycomb networks on the Ag(111) surface. Moreover, our calculations have illustrated that classic activating groups generally increase and prototypical deactivating groups decrease the amount and direction of charge transferred from a substituted benzene derivative to the Cu(111) and Ag(111) surfaces

  18. Microbial Energetics Beneath the Taylor Glacier, Antarctica

    NASA Astrophysics Data System (ADS)

    Mikucki, J. A.; Turchyn, A. V.; Farquhar, J.; Priscu, J. C.; Schrag, D. P.; Pearson, A.

    2007-12-01

    Subglacial microbiology is controlled by glacier hydrology, bedrock lithology, and the preglacial ecosystem. These factors can all affect metabolic function by influencing electron acceptor and donor availability in the subglacial setting leaving biogeochemical signatures that can be used to determine ecosystem processes. Blood Falls, an iron-rich, episodic subglacial outflow from the Taylor Glacier in the McMurdo Dry Valleys Antarctica provides an example of how microbial community structure and function can provide insight into subglacial hydrology. This subglacial outflow contains cryoconcentrated, Pliocene-age seawater salts that pooled in the upper Taylor Valley and was subsequently covered by the advance of the Taylor Glacier. Biogeochemical measurements, culture-based techniques, and genomic analysis were used to characterize microbes and chemistry associated with the subglacial outflow. The isotopic composition of important geochemical substrates (i.e., δ34Ssulfate, Δ33Ssulfate, δ18Osulfate, δ18Owater, Δ14SDIC) were also measured to provide more detail on subglacial microbial energetics. Typically, subglacial systems, when driven to anoxia by the hydrolysis of organic matter, will follow a continuum of redox chemistries utilizing electron acceptors with decreasing reduction potential (e.g., Fe (III), sulfate, CO2). Our data provide no evidence for sulfate reduction below the Taylor Glacier despite high dissolved organic carbon (450 μM C) and measurable metabolic activity. We contend that, in the case of the Taylor Glacier, the in situ bioenergetic reduction potential has been 'short-circuited' at Fe(III)-reduction and excludes sulfate reduction and methanogenesis. Given the length of time that this marine system has been isolated from phototrophic production (~2 Mya) the ability to degrade and consume increasingly recalcitrant organic carbon is likely an important component to the observed redox chemistry. Our work indicates that glacier hydrology

  19. Energetic particles over Io's polar caps

    NASA Astrophysics Data System (ADS)

    Williams, D. J.; Thorne, R. M.

    2003-11-01

    We present results obtained from the Galileo satellite's Energetic Particles Detector during its final two encounters in 2001 with Jupiter's moon Io. These encounters returned the first data from just above Io's polar caps. They complement previous low-latitude data and provide a new perspective of Io's interaction with Jupiter's magnetosphere and ionosphere. The evolution of electron and ion distributions was measured from the upstream region throughout the polar cap traversals. From the time of initial field contact with Io and continuing throughout the encounter these distributions evolve in a manner consistent with adiabatic motion along the Io-Jupiter field line. At encounter all particles develop narrow trapped-like distributions indicative of the creation of a near-Io magnetic bottle caused by an enhancement of field at Io's upstream surface. The measured pitch angle distributions indicate a field enhancement of up to 10%-15% higher than the field observed at Galileo's position. Distribution evolution times agree roughly with particle bounce times on the Io-Jupiter field line. The ion distribution evolution times provide an estimate of ˜3-7 km/s for the field line convection speed across Io's polar caps, a value small (˜10%) compared with the upstream convection speed. Along with these trapped distributions, beams of ions and electrons are observed streaming into Io's polar caps throughout the encounters. The continued observation of ion beams across the polar cap is consistent with their half-bounce times. The data further indicate that the convection speed may vary as the polar cap is traversed. The one exception to the adiabatic particle behavior discussed above is the observation of intense electron beams streaming into Io's polar caps. The polar cap electron beams are similar to those previously measured in Io's wake [, 1996] and apparently originate from the same source. The source has been located at low (˜0.5 RJ) altitudes on the Io-Jupiter field

  20. Salt-Bridge Energetics in Halophilic Proteins

    PubMed Central

    Nayek, Arnab; Sen Gupta, Parth Sarthi; Banerjee, Shyamashree; Mondal, Buddhadev; Bandyopadhyay, Amal K.

    2014-01-01

    Halophilic proteins have greater abundance of acidic over basic and very low bulky hydrophobic residues. Classical electrostatic stabilization was suggested as the key determinant for halophilic adaptation of protein. However, contribution of specific electrostatic interactions (i.e. salt-bridges) to overall stability of halophilic proteins is yet to be understood. To understand this, we use Adaptive-Poison-Boltzmann-Solver Methods along with our home-built automation to workout net as well as associated component energy terms such as desolvation energy, bridge energy and background energy for 275 salt-bridges from 20 extremely halophilic proteins. We then perform extensive statistical analysis on general and energetic attributes on these salt-bridges. On average, 8 salt-bridges per 150 residues protein were observed which is almost twice than earlier report. Overall contributions of salt-bridges are −3.0 kcal mol−1. Majority (78%) of salt-bridges in our dataset are stable and conserved in nature. Although, average contributions of component energy terms are equal, their individual details vary greatly from one another indicating their sensitivity to local micro-environment. Notably, 35% of salt-bridges in our database are buried and stable. Greater desolvation penalty of these buried salt-bridges are counteracted by stable network salt-bridges apart from favorable equal contributions of bridge and background terms. Recruitment of extensive network salt-bridges (46%) with a net contribution of −5.0 kcal mol−1 per salt-bridge, seems to be a halophilic design wherein favorable average contribution of background term (−10 kcal mol−1) exceeds than that of bridge term (−7 kcal mol−1). Interiors of proteins from halophiles are seen to possess relatively higher abundance of charge and polar side chains than that of mesophiles which seems to be satisfied by cooperative network salt-bridges. Overall, our theoretical analyses provide insight into halophilic

  1. Intracellular energetic units in red muscle cells.

    PubMed Central

    Saks, V A; Kaambre, T; Sikk, P; Eimre, M; Orlova, E; Paju, K; Piirsoo, A; Appaix, F; Kay, L; Regitz-Zagrosek, V; Fleck, E; Seppet, E

    2001-01-01

    The kinetics of regulation of mitochondrial respiration by endogenous and exogenous ADP in muscle cells in situ was studied in skinned cardiac and skeletal muscle fibres. Endogenous ADP production was initiated by addition of MgATP; under these conditions the respiration rate and ADP concentration in the medium were dependent on the calcium concentration, and 70-80% of maximal rate of respiration was achieved at ADP concentration below 20 microM in the medium. In contrast, when exogenous ADP was added, maximal respiration rate was observed only at millimolar concentrations. An exogenous ADP-consuming system consisting of pyruvate kinase (PK; 20-40 units/ml) and phosphoenolpyruvate (PEP; 5 mM), totally suppressed respiration activated by exogenous ADP, but the respiration maintained by endogenous ADP was not suppressed by more than 20-40%. Creatine (20 mM) further activated respiration in the presence of ATP and PK+PEP. Short treatment with trypsin (50-500 nM for 5 min) decreased the apparent K(m) for exogenous ADP from 300-350 microM to 50-60 microM, increased inhibition of respiration by PK+PEP system up to 70-80%, with no changes in MgATPase activity and maximal respiration rates. Electron-microscopic observations showed detachment of mitochondria and disordering of the regular structure of the sarcomere after trypsin treatment. Two-dimensional electrophoresis revealed a group of at least seven low-molecular-mass proteins in cardiac skinned fibres which were very sensitive to trypsin and not present in glycolytic fibres, which have low apparent K(m) for exogenous ADP. It is concluded that, in oxidative muscle cells, mitochondria are incorporated into functional complexes ('intracellular energetic units') with adjacent ADP-producing systems in myofibrils and in sarcoplasmic reticulum, probably due to specific interaction with cytoskeletal elements responsible for mitochondrial distribution in the cell. It is suggested that these complexes represent the basic

  2. The Two Sources of Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Reames, Donald V.

    2013-06-01

    Evidence for two different physical mechanisms for acceleration of solar energetic particles (SEPs) arose 50 years ago with radio observations of type III bursts, produced by outward streaming electrons, and type II bursts from coronal and interplanetary shock waves. Since that time we have found that the former are related to "impulsive" SEP events from impulsive flares or jets. Here, resonant stochastic acceleration, related to magnetic reconnection involving open field lines, produces not only electrons but 1000-fold enhancements of 3He/4He and of ( Z>50)/O. Alternatively, in "gradual" SEP events, shock waves, driven out from the Sun by coronal mass ejections (CMEs), more democratically sample ion abundances that are even used to measure the coronal abundances of the elements. Gradual events produce by far the highest SEP intensities near Earth. Sometimes residual impulsive suprathermal ions contribute to the seed population for shock acceleration, complicating the abundance picture, but this process has now been modeled theoretically. Initially, impulsive events define a point source on the Sun, selectively filling few magnetic flux tubes, while gradual events show extensive acceleration that can fill half of the inner heliosphere, beginning when the shock reaches ˜2 solar radii. Shock acceleration occurs as ions are scattered back and forth across the shock by resonant Alfvén waves amplified by the accelerated protons themselves as they stream away. These waves also can produce a streaming-limited maximum SEP intensity and plateau region upstream of the shock. Behind the shock lies the large expanse of the "reservoir", a spatially extensive trapped volume of uniform SEP intensities with invariant energy-spectral shapes where overall intensities decrease with time as the enclosing "magnetic bottle" expands adiabatically. These reservoirs now explain the slow intensity decrease that defines gradual events and was once erroneously attributed solely to slow

  3. Energetic runaway electrons emitted from streamers

    NASA Astrophysics Data System (ADS)

    Celestin, S. J.; Pasko, V. P.

    2010-12-01

    Streamers are filamentary plasmas, which are driven by highly nonlinear space charge waves. In tips of streamers, intense electric fields are produced, and the generation of runaway electrons in these discharges has been identified and discussed in the literature for more than two decades [Babich, Sov. Phys. Dokl., 263, 76, 1982, and references therein]. It has been proposed that with total potential differences on the order of tens of MV available in streamer zones of lightning leaders, during a highly transient negative corona flash stage of the development of negative stepped leader, electrons with energies 2-8 keV ejected from streamer tips near the leader head can be further accelerated to energies of hundreds of keV and possibly to several tens of MeV [Moss et al., JGR, 111, A02307, 2006]. It has been proposed that these energetic electrons may be responsible, through the bremsstrahlung process, for the generation of hard X-rays observed from ground and satellites [e.g., Fishman et al., Science, 264, 1313, 1994; Inan et al., GRL, 23, 1017, 1996; Moore et al., GRL, 28, 2141, 2001; Dwyer et al., GRL, 32, L01803, 2005; Smith et al., Science, 307, 1085, 2005; Cummer et al., GRL, 32, L08811, 2005; and references therein]. The current observations and theories of transient luminous events occurring above cloud tops and termed blue and gigantic jets are converging towards a clear connection between jet discharges and streamer zones of lightning leaders [Krehbiel et al., Nature Geosci., 1, 233, 2008; and references therein] and it has been suggested that the thermal runaway electron process operating in leaders may contribute to production of terrestrial gamma ray flashes from the jet discharges [Moss et al., 2006]. In the present work, we combine our recently developed Monte Carlo code simulating the propagation of electrons in air with energies varying from sub-eV to MeV [Celestin and Pasko, CEDAR Workshop, Boulder, CO, W2 ECCR245, 20-25 June, 2010] with streamer

  4. Comparative primate energetics and hominid evolution.

    PubMed

    Leonard, W R; Robertson, M L

    1997-02-01

    There is currently great interest in developing ecological models for investigating human evolution. Yet little attention has been given to energetics, one of the cornerstones of modern ecosystem ecology. This paper examines the ecological correlates of variation in metabolic requirements among extant primate species, and uses this information to draw inferences about the changes in energy demands over the course of human evolution. Data on body size, resting metabolism, and activity budgets for selected anthropoid species and human hunter-gatherers are used to estimate total energy expenditure (TEE). Analyses indicate that relative energy expenditure levels and day ranges are positively correlated with diet quality; that is, more active species tend to consume more energy-rich diets. Human foragers fall at the positive extremes for modern primates in having high expenditure levels, large ranges, and very high quality diets. During hominid evolution, it appears that TEE increased substantially with the emergence of Homo erectus. This increase is partly attributable to larger body size as well as likely increases in day range and activity level. Assuming similar activity budgets for all early hominid species, estimated TEE for H. erectus is 40-45% greater than for the australopithecines. If, however, it is assumed that the evolution of early Homo was also associated with a shift to a more "human-like" foraging strategy, estimated expenditure levels for H. erectus are 80-85% greater than in the australopithecines. Changing patterns of resource distribution associated with the expansion of African savannas between 2.5 and 1.5 mya may been the impetus for a shift in foraging behavior among early members of the genus Homo. Such ecological changes likely would have made animal foods a more attractive resource. Moreover, greater use of animal foods and the resulting higher quality diet would have been important for supporting the larger day ranges and greater energy

  5. Thyra Abstract Interface Package

    Energy Science and Technology Software Center (ESTSC)

    2005-09-01

    Thrya primarily defines a set of abstract C++ class interfaces needed for the development of abstract numerical atgorithms (ANAs) such as iterative linear solvers, transient solvers all the way up to optimization. At the foundation of these interfaces are abstract C++ classes for vectors, vector spaces, linear operators and multi-vectors. Also included in the Thyra package is C++ code for creating concrete vector, vector space, linear operator, and multi-vector subclasses as well as other utilitiesmore » to aid in the development of ANAs. Currently, very general and efficient concrete subclass implementations exist for serial and SPMD in-core vectors and multi-vectors. Code also currently exists for testing objects and providing composite objects such as product vectors.« less

  6. Popeye Project: ROV interfaces

    SciTech Connect

    Scates, C.R.; Hickok, D.D.; Hernandez, D.A.

    1997-04-01

    The Popeye Project in the Gulf of Mexico helped advance the technology and standardization of ROV interfaces for deepwater subsea production systems. Some of the many successful ROV operations during installation and completion were {open_quotes}first-of-it`s-kind{close_quotes} activities-enabled by many technical advances. The use and reliance upon ROV systems for support of deepwater drilling and installation operations significantly increased in the past 10 years. Shell Offshore Inc.`s (SOI) confidence in this increased capability was an important factor in many of the design decisions which characterized the innovative system. Technology advancements, which depended on effective ROV intervention, were implemented with no significant difficulties. These advancements, in particular the flying leads and seabed position methods, are available to the industry for other deepwater subsea systems. In addition, several Popeye ROV interfaces have helped advance the subsea standardization initiative; e.g., hot stabs, torque-tool end effectors, and paint color.

  7. Standard interface file handbook

    SciTech Connect

    Shapiro, A.; Huria, H.C. )

    1992-10-01

    This handbook documents many of the standard interface file formats that have been adopted by the US Department of Energy to facilitate communications between and portability of, various large reactor physics and radiation transport software packages. The emphasis is on those files needed for use of the VENTURE/PC diffusion-depletion code system. File structures, contents and some practical advice on use of the various files are provided.

  8. Virtual button interface

    DOEpatents

    Jones, J.S.

    1999-01-12

    An apparatus and method of issuing commands to a computer by a user interfacing with a virtual reality environment are disclosed. To issue a command, the user directs gaze at a virtual button within the virtual reality environment, causing a perceptible change in the virtual button, which then sends a command corresponding to the virtual button to the computer, optionally after a confirming action is performed by the user, such as depressing a thumb switch. 4 figs.

  9. Virtual button interface

    DOEpatents

    Jones, Jake S.

    1999-01-01

    An apparatus and method of issuing commands to a computer by a user interfacing with a virtual reality environment. To issue a command, the user directs gaze at a virtual button within the virtual reality environment, causing a perceptible change in the virtual button, which then sends a command corresponding to the virtual button to the computer, optionally after a confirming action is performed by the user, such as depressing a thumb switch.

  10. SNE Industrial Fieldbus Interface

    NASA Technical Reports Server (NTRS)

    Lucena, Angel; Raines, Matthew; Oostdyk, Rebecca; Mata, Carlos

    2011-01-01

    Programmable logic controllers (PLCs) have very limited diagnostic and no prognostic capabilities, while current smart sensor designs do not have the capability to communicate over Fieldbus networks. The aim is to interface smart sensors with PLCs so that health and status information, such as failure mode identification and measurement tolerance, can be communicated via an industrial Fieldbus such as ControlNet. The SNE Industrial Fieldbus Interface (SIFI) is an embedded device that acts as a communication module in a networked smart sensor. The purpose is to enable a smart sensor to communicate health and status information to other devices, such as PLCs, via an industrial Fieldbus networking protocol. The SNE (Smart Network Element) is attached to a commercial off-the-shelf Any bus-S interface module through the SIFI. Numerous Anybus-S modules are available, each one designed to interface with a specific Fieldbus. Development of the SIFI focused on communications using the ControlNet protocol, but any of the Anybus-S modules can be used. The SIFI communicates with the Any-bus module via a data buffer and mailbox system on the Anybus module, and supplies power to the module. The Anybus module transmits and receives data on the Fieldbus using the proper protocol. The SIFI is intended to be connected to other existing SNE modules in order to monitor the health and status of a transducer. The SIFI can also monitor aspects of its own health using an onboard watchdog timer and voltage monitors. The SIFI also has the hardware to drive a touchscreen LCD (liquid crystal display) unit for manual configuration and status monitoring.

  11. Optical Neural Interfaces

    PubMed Central

    Warden, Melissa R.; Cardin, Jessica A.; Deisseroth, Karl

    2014-01-01

    Genetically encoded optical actuators and indicators have changed the landscape of neuroscience, enabling targetable control and readout of specific components of intact neural circuits in behaving animals. Here, we review the development of optical neural interfaces, focusing on hardware designed for optical control of neural activity, integrated optical control and electrical readout, and optical readout of population and single-cell neural activity in freely moving mammals. PMID:25014785

  12. The THOSE remote interface

    NASA Astrophysics Data System (ADS)

    Klawon, Kevin; Gold, Josh; Bachman, Kristen

    2013-05-01

    The DIA, in conjunction with the Army Research Lab (ARL), wants to create an Unmanned Ground Sensor (UGS) controller that is (a) interoperable across all controller platforms, (b) capable of easily adding new sensors, radios, and processes and (c) backward compatible with existing UGS systems. To achieve this, a Terra Harvest controller was created that used Java JRE 1.6 and an Open Services Gateway initiative (OSGi) platform, named Terra Harvest Open Software Environment (THOSE). OSGi is an extensible framework that provides a modularized environment for deploying functionality in "bundles". These bundles can publish, discover, and share services available from other external bundles or bundles provided by the controller core. With the addition of a web GUI used for interacting with THOSE, a natural step was then to create a common remote interface that allows 3rd party real-time interaction with the controller. This paper provides an overview of the THOSE system and its components as well as a description of the architectural structure of the remote interface, highlighting the interactions occurring between the controller and the remote interface and its role in providing a positive user experience for managing UGSS functions.

  13. Lithium diffusion at Si-C interfaces in silicon-graphene composites

    NASA Astrophysics Data System (ADS)

    Odbadrakh, Khorgolkhuu; McNutt, N. W.; Nicholson, D. M.; Rios, O.; Keffer, D. J.

    2014-08-01

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  14. Energy level alignment at the interfaces in a multilayer organic light-emitting diode structure

    NASA Astrophysics Data System (ADS)

    Olthof, S.; Meerheim, R.; Schober, M.; Leo, K.

    2009-06-01

    We use photoelectron spectroscopy to study the electronic structure and energy level alignment throughout an organic light-emitting diode. The structure under investigation is a state-of-the-art long-living red phosphorescent device composed of doped charge-injection layers, charge-blocking layers, and an emission layer. By consecutively building up the whole device, the key parameters of every interface are measured. Our results show that the doped layers have a significant influence on the device energetics, especially in controlling the built-in potential, and that there are mostly only small dipoles present at the interfaces of the intrinsic organic layers.

  15. Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics.

    PubMed

    de Oteyza, Dimas G; Garcia-Lastra, Juan M; Toma, Francesca M; Borghetti, Patrizia; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Pho, Toan V; Wudl, Fred; Ortega, J Enrique

    2016-01-01

    We report the interface energetics of decacyclene trianhydride (DTA) monolayers on top of two distinct model surfaces, namely, Au(111) and Ag(111). On the latter, combined valence band photoemission and X-ray absorption measurements that access the occupied and unoccupied molecular orbitals, respectively, reveal that electron transfer from substrate to surface sets in. Density functional theory calculations confirm our experimental findings and provide an understanding not only of the photoemission and X-ray absorption spectral features of this promising organic semiconductor but also of the fingerprints associated with the interface charge transfer. PMID:26651535

  16. Lithium diffusion at Si-C interfaces in Silicon-Graphene composites

    SciTech Connect

    Odbadrakh, Khorgolkhuu; McNutt, Nichiolas William; Nicholson, Donald M.; Rios, Orlando; Keffer, David J.

    2014-01-01

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using Density Functional Theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  17. Lithium diffusion at Si-C interfaces in silicon-graphene composites

    SciTech Connect

    Odbadrakh, Khorgolkhuu; McNutt, N. W.; Nicholson, D. M.; Rios, O.; Keffer, D. J.

    2014-08-04

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  18. On the interface instability during rapid evaporation in microgravity

    SciTech Connect

    Juric, D.

    1997-05-01

    The rapid evaporation of a superheated liquid (vapor explosion) under microgravity conditions is studied by direct numerical simulation. The time-dependent Navier-Stokes and energy equations coupled to the interface dynamics are solved using a two-dimensional finite-difference/front-tracking method. Large interface deformations, topology change, latent heat, surface tension and unequal material properties between the liquid and vapor phases are included in the simulations. A comparison of numerical results to the exact solution of a one-dimensional test problem shows excellent agreement. For the two-dimensional rapid evaporation problem, the vapor volume growth rate and unstable interface dynamics are studied for increasing levels of initial liquid superheat. As the superheat is increased the liquid-vapor interface experiences increasingly unstable energetic growth. These results indicate that heat transfer plays a very important role in the instability mechanism leading to vapor explosions. It is suggested that the Mullins-Sekerka instability could play a role in the instability initiation mechanism.

  19. Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.

    PubMed

    Axthammer, Quirin J; Krumm, Burkhard; Klapötke, Thomas M

    2015-06-19

    A new synthesis strategy for the preparation of energetic carbamates and nitrocarbamates starting from readily available polynitro alcohols is introduced. The efficient synthesis of mainly new carbamates was performed with the reactive chlorosulfonyl isocyanate (CSI) reagent. The carbamates were nitrated using mixed acid to form the corresponding primary nitrocarbamates. The thermal stability of all synthesized compounds was studied using differential scanning calorimetry, and the energies of formation were calculated on the CBS-4 M level of theory. Detonation parameters and propulsion properties were determined with the software package EXPLO5 V6.02. Furthermore, for all new substances single-crystal X-ray diffraction studies were performed and are presented and discussed as Supporting Information. PMID:25996052

  20. Eye-voice-controlled interface

    NASA Technical Reports Server (NTRS)

    Glenn, Floyd A., III; Iavecchia, Helene P.; Ross, Lorna V.; Stokes, James M.; Weiland, William J.

    1986-01-01

    The Ocular Attention-Sensing Interface System (OASIS) is an innovative human-computer interface which utilizes eye movement and voice commands to communicate messages between the operator and the system. This report initially describes some technical issues relevant to the development of such an interface. The results of preliminary experiments which evaluate alternative eye processing algorithms and feedback techniques are presented. Candidate interface applications are also discussed.

  1. Why Mineral Interfaces Matter

    NASA Astrophysics Data System (ADS)

    Putnis, Andrew; Putnis, Christine V.

    2015-04-01

    While it is obvious that reactions between a mineral and an aqueous solution take place at the mineral-fluid interface it is only relatively recently that high spatial resolution studies have demonstrated how the local structure of the mineral surface and the chemical composition of the fluid at the interface control both the short-range and the long-range consequences of mineral-fluid interaction. Long-range consequences of fluid-mineral interaction control element cycles in the earth, the formation of ore-deposits, the chemical composition of the oceans through weathering of rocks and hence climate changes. Although weathering is clearly related to mineral dissolution, to what extent do experimentally measured dissolution rates of minerals help to understand weathering, especially weathering mechanisms? This question is related to the short-range, local reactions that take place when a mineral, that is not stable in the fluid, begins to dissolve. In this case the fluid composition at the interface will become supersaturated with respect to a different phase or phases. This may be a different composition of the same mineral e.g. a Ca-rich feldspar dissolving in a Na-rich solution results in a fluid at the interface which may be supersaturated with respect to an Na-rich feldspar. Alternatively, the interfacial fluid could be supersaturated with respect to a different mineral e.g. an Na-rich zeolite, depending on the temperature. Numerous experiments have shown that the precipitation of a more stable phase at the mineral-fluid interface results in a coupling between the dissolution and the precipitation, and the replacement of one mineral by another. This process separates the short-range mechanisms which depend only on the composition of the interfacial solution, and the long-range consequences that depend on the composition of the residual fluid released from the reacting parent mineral. Typically such residual fluids may carry metal ions tens to hundreds of

  2. Graphic Interfaces and Online Information.

    ERIC Educational Resources Information Center

    Percival, J. Mark

    1990-01-01

    Discusses the growing importance of the use of Graphic User Interfaces (GUIs) with microcomputers and online services. Highlights include the development of graphics interfacing with microcomputers; CD-ROM databases; an evaluation of HyperCard as a potential interface to electronic mail and online commercial databases; and future possibilities.…

  3. POLYMERIC INTERFACES FOR STACK MONITORING

    EPA Science Inventory

    Research has been performed on the use of polymeric interfaces for in situ continuous stack monitoring of gaseous pollutants. Permeabilities of candidate interface materials to SO2 were measured at temperatures from ambient to 200C, and the results were used to design interfaces ...

  4. Polarization Energies at Organic-Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells.

    PubMed

    Ryno, Sean M; Fu, Yao-Tsung; Risko, Chad; Brédas, Jean-Luc

    2016-06-22

    We probe the energetic landscape at a model pentacene/fullerene (C60) interface to investigate the interactions between positive and negative charges, which are critical to the processes of charge separation and recombination in organic solar cells. Using a polarizable force field, we find that polarization energy, i.e., the stabilization a charge feels due to its environment, is larger at the interface than in the bulk for both a positive and a negative charge. The combination of the charge being more stabilized at the interface and the Coulomb attraction between the charges results in a barrier to charge separation at the pentacene/C60 interface that can be in excess of 0.7 eV for static configurations of the donor and acceptor locations. However, the impact of molecular motions, i.e., the dynamics, at the interface at room temperature results in a distribution of polarization energies and in charge separation barriers that can be significantly reduced. The dynamic nature of the interface is thus critical, with the polarization energy distributions indicating that sites along the interface shift in time between favorable and unfavorable configurations for charge separation. PMID:27244215

  5. On the filamentary structure of energetic electrons during flares

    NASA Astrophysics Data System (ADS)

    Drake, J.; Swisdak, M.; Shay, M.

    2007-12-01

    Simulations and analytic arguments are presented that demonstrate that magnetic reconnection in the tenuous high temperature corona does not occur as a single large-scale x-line. Rather the narrow current layers that form at x-lines form secondary magnetic islands at small spatial scales. An electron acceleration model based on the interaction of particles with many contracting islands has been developed. A consequence of particle acceleration in any multi-island system is that energetic particles are released in narrow streams with characteristic widths of the order of the electron skin depth. This is because electrons are released from islands as they reconnect with the macro-scale field of the corona or magnetosphere. The characteristic width of the released energetic electron streams correspond to the width of the reconnection dissipation region. Thus, energetic electrons do not propagate away from the reconnection site in the corona as a single large-scale front but as a filamentary web. As a result, the return current problem is transformed: the narrow filaments of energetic particles propagate parallel to the magnetic field as kinetic Alfven waves with propagation speeds comparable to the thermal velocity of the energetic particles. Simple estimates suggest that the conversion of particle to kinetic Alfven wave energy is efficient so that the wave and particle energy propagates together as a radiation front from the corona toward the solar surface. The structure and dynamics of this radiation front are being explored.

  6. Highly energetic compositions based on functionalized carbon nanomaterials.

    PubMed

    Yan, Qi-Long; Gozin, Michael; Zhao, Feng-Qi; Cohen, Adva; Pang, Si-Ping

    2016-03-01

    In recent years, research in the field of carbon nanomaterials (CNMs), such as fullerenes, expanded graphite (EG), carbon nanotubes (CNTs), graphene, and graphene oxide (GO), has been widely used in energy storage, electronics, catalysts, and biomaterials, as well as medical applications. Regarding energy storage, one of the most important research directions is the development of CNMs as carriers of energetic components by coating or encapsulation, thus forming safer advanced nanostructures with better performances. Moreover, some CNMs can also be functionalized to become energetic additives. This review article covers updated preparation methods for the aforementioned CNMs, with a more specific orientation towards the use of these nanomaterials in energetic compositions. The effects of these functionalized CNMs on thermal decomposition, ignition, combustion and the reactivity properties of energetic compositions are significant and are discussed in detail. It has been shown that the use of functionalized CNMs in energetic compositions greatly improves their combustion performances, thermal stability and sensitivity. In particular, functionalized fullerenes, CNTs and GO are the most appropriate candidate components in nanothermites, solid propellants and gas generators, due to their superior catalytic properties as well as facile preparation methods. PMID:26880518

  7. Highly energetic compositions based on functionalized carbon nanomaterials

    NASA Astrophysics Data System (ADS)

    Yan, Qi-Long; Gozin, Michael; Zhao, Feng-Qi; Cohen, Adva; Pang, Si-Ping

    2016-02-01

    In recent years, research in the field of carbon nanomaterials (CNMs), such as fullerenes, expanded graphite (EG), carbon nanotubes (CNTs), graphene, and graphene oxide (GO), has been widely used in energy storage, electronics, catalysts, and biomaterials, as well as medical applications. Regarding energy storage, one of the most important research directions is the development of CNMs as carriers of energetic components by coating or encapsulation, thus forming safer advanced nanostructures with better performances. Moreover, some CNMs can also be functionalized to become energetic additives. This review article covers updated preparation methods for the aforementioned CNMs, with a more specific orientation towards the use of these nanomaterials in energetic compositions. The effects of these functionalized CNMs on thermal decomposition, ignition, combustion and the reactivity properties of energetic compositions are significant and are discussed in detail. It has been shown that the use of functionalized CNMs in energetic compositions greatly improves their combustion performances, thermal stability and sensitivity. In particular, functionalized fullerenes, CNTs and GO are the most appropriate candidate components in nanothermites, solid propellants and gas generators, due to their superior catalytic properties as well as facile preparation methods.

  8. Thermal safety characterization and explosion violence of energetic materials

    NASA Astrophysics Data System (ADS)

    Hsu, Peter; Hust, Gary; Pagoria, Philip; Fried, Larry

    2015-06-01

    Some energetic materials could thermally explode at fairly low temperatures (<100 C) and the violence from thermal explosion may cause a significant damage. Thus understanding the response of energetic material to thermal events is very important for the storage and handling of energetic materials. Over the last few decades, there has been considerable research effort on the thermal decomposition and thermal explosion violence of energetic materials at elevated temperatures in different sample geometries and confinements. Among them, the ODTX system is an interesting option due to its sample requirement and easiness for data modeling. It has been used since 1970s for cook-off study at LLNL. It generates 3 technical data: (1) lowest temperature at which thermal explosion would occur (threshold temperature, Til) , (2) times to thermal explosion at temperature above Til, for the calculation of activation energy and frequency factor; and (3) thermal explosion violence. In this paper, we will present some recent ODTX experimental data of several new energetic materials as well as gas pressure data at elevated temperature.

  9. Energetic consequences of being a Homo erectus female.

    PubMed

    Aiello, Leslie C; Key, Cathy

    2002-01-01

    Body size is one of the most important characteristics of any animal because it affects a range of behavioral, ecological, and physiological traits including energy requirements, choice of food, reproductive strategies, predation risk, range size, and locomotor style. This article focuses on the implications of being large bodied for Homo erectus females, estimated to have been over 50% heavier than average australopithecine females. The energy requirements of these hominins are modeled using data on activity patterns, body mass, and life history from living primates. Particular attention is given to the inferred energetic costs of reproduction for Homo erectus females based on chimpanzee and human reproductive scheduling. Daily energy requirements during gestation and lactation would have been significantly higher for Homo erectus females, as would total energetic cost per offspring if the australopithecines and Homo erectus had similar reproductive schedules (gestation and lactation lengths and interbirth intervals). Shortening the interbirth interval could considerably reduce the costs per offspring to Homo erectus and have the added advantage of increasing reproductive output. The mother would, however, incur additional daily costs of caring for the dependent offspring. If Homo erectus females adopted this reproductive strategy, it would necessarily imply a revolution in the way in which females obtained and utilized energy to support their increased energetic requirements. This transformation is likely to have occurred on several levels involving cooperative economic division of labor, locomotor energetics, menopause, organ size, and other physiological mechanisms for reducing the energetic load on females. PMID:12203811

  10. Role of interface band structure on hot electron transport

    NASA Astrophysics Data System (ADS)

    Garramone, John J.

    Knowledge of electron transport through materials and interfaces is fundamentally and technologically important. For example, metal interconnects within integrated circuits suffer increasingly from electromigration and signal delay due to an increase in resistance from grain boundary and sidewall scattering since their dimensions are becoming shorter than the electron mean free path. Additionally, all semiconductor based devices require the transport of electrons through materials and interfaces where scattering and parallel momentum conservation are important. In this thesis, the inelastic and elastic scattering of hot electrons are studied in nanometer thick copper, silver and gold films deposited on silicon substrates. Hot electrons are electron with energy greater than kBT above the Fermi level (EF). This work was performed utilizing ballistic electron emission microscopy (BEEM) which is a three terminal scanning tunneling microscopy (STM) technique that measures the percentage of hot electrons transmitted across a Schottky barrier interface. Hot electron attenuation lengths of the metals were extracted by measuring the BEEM current as a function of metal overlayer thickness for both hot electron and hot hole injection at 80 K and under ultra high vacuum. The inelastic and elastic scattering lengths were extracted by fitting the energetic dependence of the measured attenuation lengths to a Fermi liquid based model. A sharp increase in the attenuation length is observed at low injection energies, just above the Schottky barrier height, only for metals on Si(001) substrates. In contrast, the attenuation length measured on Si(111) substrates shows a sharp decrease. These results indicate that interface band structure and parallel momentum conservation have significant impact upon the transport of hot electrons across non epitaxial metal-semiconductor interfaces. In addition, they help to separate effects upon hot electron transport that are inherent to the metal

  11. NANOSTRUCTURE PATTERNING UNDER ENERGETIC PARTICLE BEAM IRRADIATION

    SciTech Connect

    Wang, Lumin; Lu, Wei

    2013-01-31

    Energetic ion bombardment can lead to the development of complex and diverse nanostructures on or beneath the material surface through induced self-organization processes. These self-organized structures have received particular interest recently as promising candidates as simple, inexpensive, and large area patterns, whose optical, electronic and magnetic properties are different from those in the bulk materials [1-5]. Compared to the low mass efficiency production rate of lithographic methods, these self-organized approaches display new routes for the fabrication of nanostructures over large areas in a short processing time at the nanoscale, beyond the limits of lithography [1,4]. Although it is believed that surface nanostructure formation is based on the morphological instability of the sputtered surface, driven by a kinetic balance between roughening and smoothing actions [6,7], the fundamental mechanisms and experimental conditions for the formation of these nanostructures has still not been well established, the formation of the 3-D naopatterns beneath the irradiated surface especially needs more exploration. During the last funding period, we have focused our efforts on irradiation-induced nanostructures in a broad range of materials. These structures have been studied primarily through in situ electron microscopy during electron or ion irradiation. In particular, we have performed studies on 3-D void/bubble lattices (in metals and CaF2), embedded sponge-like porous structure with uniform nanofibers in irradiated semiconductors (Ge, GaSb, and InSb), 2-D highly ordered pattern of nanodroplets (on the surface of GaAs), hexagonally ordered nanoholes (on the surface of Ge), and 1-D highly ordered ripple and periodic arrays (of Cu nanoparticles) [3,8-11]. The amazing common feature in those nanopatterns is the uniformity of the size of nanoelements (nanoripples, nanodots, nanovoids or nanofibers) and the distance separating them. Our research focuses on the

  12. Pluvials, Droughts, Energetics, and the Mongol Empire

    NASA Astrophysics Data System (ADS)

    Hessl, A. E.; Pederson, N.; Baatarbileg, N.

    2012-12-01

    The success of the Mongol Empire, the largest contiguous land empire the world has ever known, is a historical enigma. At its peak in the late 13th century, the empire influenced areas from the Hungary to southern Asia and Persia. Powered by domesticated herbivores, the Mongol Empire grew at the expense of agriculturalists in Eastern Europe, Persia, and China. What environmental factors contributed to the rise of the Mongols? What factors influenced the disintegration of the empire by 1300 CE? Until now, little high resolution environmental data have been available to address these questions. We use tree-ring records of past temperature and water to illuminate the role of energy and water in the evolution of the Mongol Empire. The study of energetics has long been applied to biological and ecological systems but has only recently become a theme in understanding modern coupled natural and human systems (CNH). Because water and energy are tightly linked in human and natural systems, studying their synergies and interactions make it possible to integrate knowledge across disciplines and human history, yielding important lessons for modern societies. We focus on the role of energy and water in the trajectory of an empire, including its rise, development, and demise. Our research is focused on the Orkhon Valley, seat of the Mongol Empire, where recent paleoenvironmental and archeological discoveries allow high resolution reconstructions of past human and environmental conditions for the first time. Our preliminary records indicate that the period 1210-1230 CE, the height of Chinggis Khan's reign is one of the longest and most consistent pluvials in our tree ring reconstruction of interannual drought. Reconstructed temperature derived from five millennium-long records from subalpine forests in Mongolia document warm temperatures beginning in the early 1200's and ending with a plunge into cold temperatures in 1260. Abrupt cooling in central Mongolia at this time is

  13. Coupled infrared laser-thermo-mechanical response of RDX-PCTFE energetic aggregates

    NASA Astrophysics Data System (ADS)

    Brown, Judith A.; Zikry, M. A.

    2016-04-01

    A computational approach is developed to investigate the coupled phenomena of high frequency electromagnetic (EM) wave propagation, laser heat absorption, thermal conduction, and inelastic dynamic thermo-mechanical deformation in heterogeneous energetic materials. The method is used to study hot spot formation in RDX-PCTFE aggregates subjected to high strain rate loads and infrared laser irradiation. The approach couples Maxwell's equations with a dislocation density-based crystal plasticity formulation within a nonlinear finite-element approach to predict and understand thermo-mechanical response due to the interrelated effects of dielectric heating, adiabatic heating, thermal decomposition, and heat conduction. RDX crystalline interfaces and orientations, polymer binder, inelastic strains, dislocation-density evolution, and voids significantly affected the coupled EM-thermo-mechanical response. EM and thermo-mechanical mismatches at interfaces between RDX crystals, binder, and voids resulted in localized regions with high electric field and laser heat generation rates, which subsequently led to hot spot formation. It is predicted that incident laser intensity and plastic shear strain localization are the dominant mechanisms that lead to hot spot formation.

  14. Molecular simulation of the influence of interface faceting on the shock sensitivity of a model plastic bonded explosive.

    PubMed

    Shi, Yunfeng; Brenner, Donald W

    2008-11-27

    Molecular dynamics simulations are used to model the shock loading of an interface with various degrees of nanometer scale faceting between an inert binder and an energetic crystal. The facets create regions of local compression that induce exothermic reaction that leads to local hotspots and an increased shock sensitivity to detonation. Two mechanisms for compression and hotspot formation are identified that depend on the shock impedance mismatch between the binder and energetic crystal, namely shock focusing and local compression of the facets. These results provide a possible explanation for why spherical RDX crystals in cast polymer-bonded explosives appear less shock sensitive than RDX with more faceted morphologies. PMID:18973371

  15. Productivity issues at organizational interfaces

    NASA Technical Reports Server (NTRS)

    Holland, A. W.

    1985-01-01

    The need for close interdependence between large numbers of diverse and specialized work groups makes the Space Program extremely vulnerable to loss of productivity at organizational interfaces. Trends within the program also suggest that the number and diversity of interfaces will grow in the near term. Continued maintenance of R&D excellence will require that interface performance issues be included in any future productivity improvement effort. The types and characteristics of organizational interfaces are briefly presented, followed by a review of factors which impact their productivity. Approaches to assessing and improving interface effectiveness are also discussed.

  16. Fracture behavior across interfaces

    NASA Astrophysics Data System (ADS)

    Petrie, E. S.; Evans, J. P.; Jeppson, T. N.

    2011-12-01

    Faults and fracture networks at depth are important fluid pathways, especially in fine-grained, low permeability seal lithologies. Discontinues in sealing lithologies can create seal bypass systems, leading to the failure of CO2 geosequestration sites or hydrocarbon traps. We characterize the occurrence of and changes in discontinuity patterns and the associated changes in elastic moduli across sedimentologic interfaces to document the importance of these discontinuities for fluid management in the subsurface and potential for re-activation in high-pressure injection scenarios. We evaluate well-exposed, fine-grained, low-permeability Mesozoic and Paleozoic units that are seals of potential CO2 repositories on the Colorado Plateau and show evidence for open fractures and fluid flow in the subsurface. Field observations document changes in fracture distributions across lithologic boundaries allowing us to identify mechano-stratigraphic units and focus on the effect of lithologic interfaces on fracture distribution. An interface marks the boundary between facies in a seal and in this study the fractures are shown to deflect or arrest at the interface. In outcrop fracture intensity varies in from 1 to 18 fractures per meter and fracture apertures range from mm to cm. The mineralized fractures often have associated alteration halos along their boundaries; their general orientation follows that of discontinuities within the underlying reservoir facies or adjacent faults. The recognition of these changes in fracture distribution is important for forward modeling of fluid flow and risk management. Studying the occurrence of and changes in fracture patterns from outcrops and scaling it up for use in modeling at a field scale is difficult due to the lack of direct correlation between outcrop observations and subsurface data. Due to the size and amount of data needed to model fluid flow at the field scale the meso-scale (cm to m) variability of rock properties is often

  17. NESSUS/NASTRAN Interface

    NASA Technical Reports Server (NTRS)

    Millwater, Harry; Riha, David

    1996-01-01

    The NESSUS probabilistic analysis computer program has been developed with a built-in finite element analysis program NESSUS/FEM. However, the NESSUS/FEM program is specialized for engine structures and may not contain sufficient features for other applications. In addition, users often become well acquainted with a particular finite element code and want to use that code for probabilistic structural analysis. For these reasons, this work was undertaken to develop an interface between NESSUS and NASTRAN such that NASTRAN can be used for the finite element analysis and NESSUS can be used for the probabilistic analysis. In addition, NESSUS was restructured such that other finite element codes could be more easily coupled with NESSUS. NESSUS has been enhanced such that NESSUS will modify the NASTRAN input deck for a given set of random variables, run NASTRAN and read the NASTRAN result. The coordination between the two codes is handled automatically. The work described here was implemented within NESSUS 6.2 which was delivered to NASA in September 1995. The code runs on Unix machines: Cray, HP, Sun, SGI and IBM. The new capabilities have been implemented such that a user familiar with NESSUS using NESSUS/FEM and NASTRAN can immediately use NESSUS with NASTRAN. In other words, the interface with NASTRAN has been implemented in an analogous manner to the interface with NESSUS/FEM. Only finite element specific input has been changed. This manual is written as an addendum to the existing NESSUS 6.2 manuals. We assume users have access to NESSUS manuals and are familiar with the operation of NESSUS including probabilistic finite element analysis. Update pages to the NESSUS PFEM manual are contained in Appendix E. The finite element features of the code and the probalistic analysis capabilities are summarized.

  18. Interfacial energetics of blood plasma and serum adsorption to a hydrophobic self-assembled monolayer surface.

    PubMed

    Krishnan, Anandi; Cha, Paul; Liu, Yi-Hsiu; Allara, David; Vogler, Erwin A

    2006-06-01

    Interfacial energetics of blood plasma and serum adsorption to a hydrophobic, methyl-terminated self-assembled monolayer (SAM) surface (solid-liquid SL interface) are shown to be essentially the same as to the buffer-air interface (liquid-vapor LV interface). Specifically, spreading pressure (Pia) isotherms scaled on a w/v concentration basis constructed from advancing contact angles (thetaa) of serially diluted plasma/serum derived from four different mammalian species (bovine, equine, human, and ovine) on the SAM surface are not resolvable at the 99% confidence level and furthermore are found to be strikingly similar to isotherms of purified human-blood proteins. Maximum advancing spreading pressures Piamax for protein mixtures fall within a relatively narrow 17energetics to these test hydrophobic surfaces. Experimental results are rationalized on the basis that there is a generic mechanism controlling adsorption of globular-blood proteins to test hydrophobic surfaces. We conclude that this generic mechanism is the hydrophobic effect by which proteins are expelled from aqueous solution in order to increase hydrogen-bonding (self-association) among water molecules at the expense of less favorable water-protein interactions. Expelled protein readily displaces water within the hydrophobic-surface region and becomes adsorbed. The amount of water displaced per gram of adsorbed protein does not vary greatly among globular proteins because the partial specific volume v0 of globular proteins is quite conserved (0.70

  19. Injector nozzle for molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, W.A.; Upadhye, R.S.

    1996-02-13

    An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath. 2 figs.

  20. Injector nozzle for molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, William A.; Upadhye, Ravindra S.

    1996-01-01

    An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath.

  1. Quasilinear Model for Energetic Particles Interacting with TAE Modes

    NASA Astrophysics Data System (ADS)

    Ghantous, Katy; Gorelenkov, Nikolai; Berk, Herbert

    2010-11-01

    TAE instabilities are thought to be a major source of Energetic Particle transport which could set limits on operational scenarios, especially for burning plasmas, and causes damage to the first wall. The quasilinear model proposed by Berk et al.ootnotetextH. L. Berk et al, Nucl. Fusion, 35:1661, 1995. relies on diffusion mechanisms for particle dynamics to captures the evolution of the energetic particle distribution function and the associated mode amplitude. Using the bump-on-tail as a paradigm, we analyze the dynamics near the resonances for accurate diffusion coefficient representation. We verify the model to get the predicted single mode saturation levels and benchmark the case of multimode overlap against particle codes. Using the TAE mode structures computed by the ideal MHD code NOVA, we generalize this method to relax energetic particles' profiles in the full 3D phase space.

  2. Novel Highly Energetic Pyrazoles: N-Trinitromethyl-Substituted Nitropyrazoles.

    PubMed

    Dalinger, Igor L; Vatsadze, Irina A; Shkineva, Tatyana K; Kormanov, Alexandr V; Struchkova, Marina I; Suponitsky, Kyrill Yu; Bragin, Anatoly A; Monogarov, Konstantin A; Sinditskii, Valery P; Sheremetev, Aleksei B

    2015-09-01

    A new family of energetic compounds, nitropyrazoles bearing a trinitromethyl moiety at the nitrogen atom of the heterocycle, was designed. The desirable high-energy dense oxidizers 3,4-dinitro- and 3,5-dinitro-1-(trinitromethyl)pyrazoles were synthesized in good yields by destructive nitration of the corresponding 1-acetonylpyrazoles. All of the prepared compounds were fully characterized by multinuclear NMR and IR spectroscopy, as well as by elemental analysis. Single-crystal X-ray diffraction studies show remarkably high density. Impact sensitivity tests and thermal stability measurements were also performed. All of the pyrazoles possess positive calculated heats of formation and exhibit promising energetic performance that is the range of 1,3,5-trinitroperhydro-1,3,5-triazine and pentaerythritol tetranitrate. The new pyrazoles exhibit positive oxygen balance and are promising candidates for new environmentally benign energetic materials. PMID:26097142

  3. Human holistic and energetic responses following a tornado.

    PubMed

    Slater, Victoria E

    2004-03-01

    After an F-4 tornado destroyed a large section of our town, I gave 50 complementary energy treatments to tornado victims. I discovered that the same energetic, physical, emotional, mental, and spiritual disruption occurred in people directly and indirectly exposed to the tornado, and that the damage did not repair spontaneously over time. This article describes the energetic damage people sustained from the tornado and their physical, mental, emotional, and spiritual responses. It also describes the energetic treatment that effectively eliminated the trauma, returning the tornado victim to a stable state. The article concludes with clinical and research implications and relates the treatment of the tornado victims to holistic nursing. The treatment holds promise for victims of posttraumatic stress disorder. PMID:15035243

  4. Long-term variation of energetic electron precipitation

    NASA Astrophysics Data System (ADS)

    Asikainen, Timo

    2015-04-01

    The long-term evolution of energetic electron precipitation (EEP) is of considerable interest, e.g., because of its atmospheric and climatic effects. However, the long-term evolution of EEP over several solar cycles has been problematic due to the lack of reliable long-term data. The NOAA/POES satellites have measured energetic particles for more than 35 years. This dataset has been used widely but it has been plagued by several instrumental problems, which have restricted its use for long-term studies. However, we have recently corrected and recalibrated the entire NOAA/POES energetic particle dataset. Using this unique dataset we present here an overview of the long-term evolution of EEP paying particular attention to the role of different types of solar wind disturbances in driving the EEP.

  5. Energetic particle transport and acceleration within the interplanetary medium

    NASA Astrophysics Data System (ADS)

    Dalla, Silvia

    2016-07-01

    The propagation through space of energetic particles accelerated at the Sun and in the inner heliosphere is governed by the characteristics of the interplanetary magnetic field. At large scales, the average Parker spiral configuration, on which transient magnetic structures may be superimposed, dominates the transport, while at smaller scales turbulence scatters the particles and produces field line meandering. This talk will review the classical 1D approach to interplanetary transport, mainly applied to Solar Energetic Particles (SEPs), as well as alternative models which allow for effects such as scattering perpendicular to the average magnetic field and field line meandering. The recently emphasized role of drifts in the propagation of SEPs will be discussed. The presentation will also review processes by which particle acceleration takes place within the interplanetary medium and the overall way in which acceleration and transport shape in-situ observations of energetic particles.

  6. Laser-induced breakdown spectroscopy analysis of energetic materials

    NASA Astrophysics Data System (ADS)

    de Lucia, Frank C.; Harmon, Russell S.; McNesby, Kevin L.; Winkel, Raymond J.; Miziolek, Andrzej W.

    2003-10-01

    A number of energetic materials and explosives have been studied by laser-induced breakdown spectroscopy (LIBS). They include black powder, neat explosives such as TNT, PETN, HMX, and RDX (in various forms), propellants such as M43 and JA2, and military explosives such as C4 and LX-14. Each of these materials gives a unique spectrum, and generally the spectra are reproducible shot to shot. We observed that the laser-produced microplasma did not initiate any of the energetic materials studied. Extensive studies of black powder and its ingredients by use of a reference spectral library have demonstrated excellent accuracy for unknown identification. Finally, we observed that these nitrogen- and oxygen-rich materials yield LIBS spectra in air that have correspondingly different O:N peak ratios compared with air. This difference can help in the detection and identification of such energetic materials.

  7. Kinetic Simulation and Energetic Neutral Atom Imaging of the Magnetosphere

    NASA Technical Reports Server (NTRS)

    Fok, Mei-Ching H.

    2011-01-01

    Advanced simulation tools and measurement techniques have been developed to study the dynamic magnetosphere and its response to drivers in the solar wind. The Comprehensive Ring Current Model (CRCM) is a kinetic code that solves the 3D distribution in space, energy and pitch-angle information of energetic ions and electrons. Energetic Neutral Atom (ENA) imagers have been carried in past and current satellite missions. Global morphology of energetic ions were revealed by the observed ENA images. We have combined simulation and ENA analysis techniques to study the development of ring current ions during magnetic storms and substorms. We identify the timing and location of particle injection and loss. We examine the evolution of ion energy and pitch-angle distribution during different phases of a storm. In this talk we will discuss the findings from our ring current studies and how our simulation and ENA analysis tools can be applied to the upcoming TRIO-CINAMA mission.

  8. Biologically tunable reactivity of energetic nanomaterials using protein cages.

    PubMed

    Slocik, Joseph M; Crouse, Christopher A; Spowart, Jonathan E; Naik, Rajesh R

    2013-06-12

    The performance of aluminum nanomaterial based energetic formulations is dependent on the mass transport, diffusion distance, and stability of reactive components. Here we use a biologically inspired approach to direct the assembly of oxidizer loaded protein cages onto the surface of aluminum nanoparticles to improve reaction kinetics by reducing the diffusion distance between the reactants. Ferritin protein cages were loaded with ammonium perchlorate (AP) or iron oxide and assembled with nAl to create an oxidation-reduction based energetic reaction and the first demonstration of a nanoscale biobased thermite material. Both materials showed enhanced exothermic behavior in comparison to nanothermite mixtures of bulk free AP or synthesized iron oxide nanopowders prepared without the use of ferritin. In addition, by utilizing a layer-by-layer (LbL) process to build multiple layers of protein cages containing iron oxide and iron oxide/AP on nAl, stoichiometric conditions and energetic performance can be optimized. PMID:23713514

  9. Laser-induced breakdown spectroscopy analysis of energetic materials.

    PubMed

    De Lucia, Frank C; Harmon, Russell S; McNesby, Kevin L; Winkel, Raymond J; Miziolek, Andrzej W

    2003-10-20

    A number of energetic materials and explosives have been studied by laser-induced breakdown spectroscopy (LIBS). They include black powder, neat explosives such as TNT, PETN, HMX, and RDX (in various forms), propellants such as M43 and JA2, and military explosives such as C4 and LX-14. Each of these materials gives a unique spectrum, and generally the spectra are reproducible shot to shot. We observed that the laser-produced microplasma did not initiate any of the energetic materials studied. Extensive studies of black powder and its ingredients by use of a reference spectral library have demonstrated excellent accuracy for unknown identification. Finally, we observed that these nitrogen- and oxygen-rich materials yield LIBS spectra in air that have correspondingly different O:N peak ratios compared with air. This difference can help in the detection and identification of such energetic materials. PMID:14594077

  10. The source of multi spectral energy of solar energetic electron

    SciTech Connect

    Herdiwijaya, Dhani

    2015-04-16

    We study the solar energetic electron distribution obtained from ACE and GOES satellites which have different altitudes and electron spectral energy during the year 1997 to 2011. The electron spectral energies were 0.038–0.315 MeV from EPAM instrument onboard ACE satellite and >2 MeV from GOES satellite. We found that the low electron energy has no correlation with high energy. In spite of we have corrected to the altitude differences. It implied that they originated from time dependent events with different sources and physical processes at the solar atmosphere. The sources of multi spectral energetic electron were related to flare and CME phenomena. However, we also found that high energetic electron comes from coronal hole.

  11. METHOD AND APPARATUS FOR PRODUCING INTENSE ENERGETIC GAS DISCHARGES

    DOEpatents

    Bell, P.R.; Luce, J.S.

    1960-01-01

    A device for producing an energetic gas arc discharge employing the use of gas-fed hollow cathode and anode electrodes is reported. The rate of feed of the gas to the electrodes is regulated to cause complete space charge neutralization to occur within the electrodes. The arc discharge is closely fitted within at least one of the electrodes so tint the gas fed to this electrode is substantially completely ionized before it is emitted into the vacuum chamber. It is this electrode design and the axial potential gradient that exists in the arc which permits the arc to be operated in low pressures and at volthges and currents that permit the arc to be energetic. The use of the large number of energetic ions that are accelerated toward the cathode as a propulsion device for a space vehicle is set forth.

  12. Energetics of hydrogen bonding in proteins: a model compound study.

    PubMed Central

    Habermann, S. M.; Murphy, K. P.

    1996-01-01

    Differences in the energetics of amide-amide and amide-hydroxyl hydrogen bonds in proteins have been explored from the effect of hydroxyl groups on the structure and dissolution energetics of a series of crystalline cyclic dipeptides. The calorimetrically determined energetics are interpreted in light of the crystal structures of the studied compounds. Our results indicate that the amide-amide and amide-hydroxyl hydrogen bonds both provide considerable enthalpic stability, but that the amide-amide hydrogen bond is about twice that of the amide-hydroxyl. Additionally, the interaction of the hydroxyl group with water is seen most readily in its contributions to entropy and heat capacity changes. Surprisingly, the hydroxyl group shows weakly hydrophobic behavior in terms of these contributions. These results can be used to understand the effects of mutations on the stability of globular proteins. PMID:8819156

  13. User interface concerns

    NASA Technical Reports Server (NTRS)

    Redhed, D. D.

    1978-01-01

    Three possible goals for the Numerical Aerodynamic Simulation Facility (NASF) are: (1) a computational fluid dynamics (as opposed to aerodynamics) algorithm development tool; (2) a specialized research laboratory facility for nearly intractable aerodynamics problems that industry encounters; and (3) a facility for industry to use in its normal aerodynamics design work that requires high computing rates. The central system issue for industry use of such a computer is the quality of the user interface as implemented in some kind of a front end to the vector processor.

  14. NESSUS/NASTRAN Interface

    NASA Technical Reports Server (NTRS)

    Millwater, Harry; Riha, David

    1996-01-01

    The NESSUS and NASTRAN computer codes were successfully integrated. The enhanced NESSUS code will use NASTRAN for the structural Analysis and NESSUS for the probabilistic analysis. Any quantities in the NASTRAN bulk data input can be random variables. Any NASTRAN result that is written to the output2 file can be returned to NESSUS as the finite element result. The interfacing between NESSUS and NASTRAN is handled automatically by NESSUS. NESSUS and NASTRAN can be run on different machines using the remote host option.

  15. Adhesion at metal interfaces

    NASA Technical Reports Server (NTRS)

    Banerjea, Amitava; Ferrante, John; Smith, John R.

    1991-01-01

    A basic adhesion process is defined, the theory of the properties influencing metallic adhesion is outlined, and theoretical approaches to the interface problem are presented, with emphasis on first-principle calculations as well as jellium-model calculations. The computation of the energies of adhesion as a function of the interfacial separation is performed; fully three-dimensional calculations are presented, and universality in the shapes of the binding energy curves is considered. An embedded-atom method and equivalent-crystal theory are covered in the framework of issues involved in practical adhesion.

  16. Access Interface Strategies

    PubMed Central

    Fager, Susan; Beukelman, David R.; Fried-Oken, Melanie; Jakobs, Tom; Baker, John

    2013-01-01

    Individuals who rely on augmentative and alternative communication (AAC) devices to support their communication often have physical movement challenges that require alternative methods of access. Technology that supports access, particularly for those with the most severe movement deficits, have expanded substantially over the years. The purposes of this article are to review the state of the science of access technologies that interface with augmentative and alternative communication devices and to propose a future research and development agenda that will enhance access options for people with limited movement capability due to developmental and acquired conditions. PMID:22590797

  17. Protein denaturants at aqueous-hydrophobic interfaces: self-consistent correlation between induced interfacial fluctuations and denaturant stability at the interface.

    PubMed

    Cui, Di; Ou, Shu-Ching; Patel, Sandeep

    2015-01-01

    The notion of direct interaction between denaturing cosolvent and protein residues has been proposed in dialogue relevant to molecular mechanisms of protein denaturation. Here we consider the correlation between free energetic stability and induced fluctuations of an aqueous-hydrophobic interface between a model hydrophobically associating protein, HFBII, and two common protein denaturants, guanidinium cation (Gdm(+)) and urea. We compute potentials of mean force along an order parameter that brings the solute molecule close to the known hydrophobic region of the protein. We assess potentials of mean force for different relative orientations between the protein and denaturant molecule. We find that in both cases of guanidinium cation and urea relative orientations of the denaturant molecule that are parallel to the local protein-water interface exhibit greater stability compared to edge-on or perpendicular orientations. This behavior has been observed for guanidinium/methylguanidinium cations at the liquid-vapor interface of water, and thus the present results further corroborate earlier findings. Further analysis of the induced fluctuations of the aqueous-hydrophobic interface upon approach of the denaturant molecule indicates that the parallel orientation, displaying a greater stability at the interface, also induces larger fluctuations of the interface compared to the perpendicular orientations. The correlation of interfacial stability and induced interface fluctuation is a recurring theme for interface-stable solutes at hydrophobic interfaces. Moreover, observed correlations between interface stability and induced fluctuations recapitulate connections to local hydration structure and patterns around solutes as evidenced by experiment (Cooper et al., J. Phys. Chem. A 2014, 118, 5657.) and high-level ab initio/DFT calculations (Baer et al., Faraday Discuss 2013, 160, 89). PMID:25536388

  18. Protein Denaturants at Aqueous–Hydrophobic Interfaces: Self-Consistent Correlation between Induced Interfacial Fluctuations and Denaturant Stability at the Interface

    PubMed Central

    2015-01-01

    The notion of direct interaction between denaturing cosolvent and protein residues has been proposed in dialogue relevant to molecular mechanisms of protein denaturation. Here we consider the correlation between free energetic stability and induced fluctuations of an aqueous–hydrophobic interface between a model hydrophobically associating protein, HFBII, and two common protein denaturants, guanidinium cation (Gdm+) and urea. We compute potentials of mean force along an order parameter that brings the solute molecule close to the known hydrophobic region of the protein. We assess potentials of mean force for different relative orientations between the protein and denaturant molecule. We find that in both cases of guanidinium cation and urea relative orientations of the denaturant molecule that are parallel to the local protein–water interface exhibit greater stability compared to edge-on or perpendicular orientations. This behavior has been observed for guanidinium/methylguanidinium cations at the liquid–vapor interface of water, and thus the present results further corroborate earlier findings. Further analysis of the induced fluctuations of the aqueous–hydrophobic interface upon approach of the denaturant molecule indicates that the parallel orientation, displaying a greater stability at the interface, also induces larger fluctuations of the interface compared to the perpendicular orientations. The correlation of interfacial stability and induced interface fluctuation is a recurring theme for interface-stable solutes at hydrophobic interfaces. Moreover, observed correlations between interface stability and induced fluctuations recapitulate connections to local hydration structure and patterns around solutes as evidenced by experiment (Cooper et al., J. Phys. Chem. A2014, 118, 5657.) and high-level ab initio/DFT calculations (Baer et al., Faraday Discuss2013, 160, 89). PMID:25536388

  19. Matched Interface and Boundary Method for Elasticity Interface Problems

    PubMed Central

    Wang, Bao; Xia, Kelin; Wei, Guo-Wei

    2015-01-01

    Elasticity theory is an important component of continuum mechanics and has had widely spread applications in science and engineering. Material interfaces are ubiquity in nature and man-made devices, and often give rise to discontinuous coefficients in the governing elasticity equations. In this work, the matched interface and boundary (MIB) method is developed to address elasticity interface problems. Linear elasticity theory for both isotropic homogeneous and inhomogeneous media is employed. In our approach, Lamé’s parameters can have jumps across the interface and are allowed to be position dependent in modeling isotropic inhomogeneous material. Both strong discontinuity, i.e., discontinuous solution, and weak discontinuity, namely, discontinuous derivatives of the solution, are considered in the present study. In the proposed method, fictitious values are utilized so that the standard central finite different schemes can be employed regardless of the interface. Interface jump conditions are enforced on the interface, which in turn, accurately determines fictitious values. We design new MIB schemes to account for complex interface geometries. In particular, the cross derivatives in the elasticity equations are difficult to handle for complex interface geometries. We propose secondary fictitious values and construct geometry based interpolation schemes to overcome this difficulty. Numerous analytical examples are used to validate the accuracy, convergence and robustness of the present MIB method for elasticity interface problems with both small and large curvatures, strong and weak discontinuities, and constant and variable coefficients. Numerical tests indicate second order accuracy in both L∞ and L2 norms. PMID:25914439

  20. Statistics of energetic electrons in the magnetotail reconnection

    NASA Astrophysics Data System (ADS)

    Zhou, Meng; Li, Tangmu; Deng, Xiaohua; Pang, Ye; Xu, Xiaojun; Tang, Rongxin; Huang, Shiyong; Li, Huimin

    2016-04-01

    Magnetic reconnection has long been regarded as an important site for producing energetic electrons in solar terrestrial and astrophysical plasmas. The motivation of this paper is to provide the average properties of energetic electrons in reconnection region, which are crucial for understanding electron energization mechanism but are rarely known. We statistically analyzed the energetic electrons through 21 magnetotail reconnection events observed by Cluster spacecraft during the years of 2001-2005. Approximately 1200 data points with time resolution of 8 s have been collected for each spacecraft. Two parameters are examined: energetic electron rate (EER) and power law index. EER, which is defined as the ratio of the integrated energetic electron flux to the lower energy electron flux, is used to quantify the electron acceleration efficiency. We find that EER and energetic electron flux (EEF) are positively correlated with the power law index, i.e., the higher rate and flux generally corresponds to softer spectrum. This unexpected correlation is probably caused by some nonadiabatic heating/acceleration mechanisms that tend to soft the spectrum with high temperature. EER is much larger within the earthward flow than the tailward flow. It is positively correlated with the outflow speed Vx, while the correlation between EER and Bz is less clear. With the increment of earthward outflow speed, the occurrence rate of high EER also monotonically increases. We find that EER generally does not increase with the increment of perpendicular electric field |E⊥|, suggesting that adiabatic betatron and Fermi acceleration probably play minor roles in electron energization during magnetotail reconnection.