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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. 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.

  9. 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.

  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. 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).

  4. 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

  5. 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.

  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. 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.

  11. "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.

  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. 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

  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. 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.

  3. 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.

  4. 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

  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. 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

  12. 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.

  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 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.

  17. 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.

  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. 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.

  10. 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.

  11. 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.

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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.

  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. 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.

  10. 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.

  11. 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.

  12. 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.

  13. 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

  14. 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.

  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. 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.

  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. 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.

  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. 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.

  10. 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.

  11. 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).

  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. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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.

  3. 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…

  4. 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...

  5. 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.

  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. 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

  13. 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

  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. 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.

  17. 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.

  18. 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.

  19. 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

  20. 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.

  1. 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.

  2. 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

  3. 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.

  4. 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.

  5. 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.

  6. 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).

  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. 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

  10. 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.

  11. 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.

  12. 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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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

  2. 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.

  3. 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

  4. 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.

  5. 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.

  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. 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

  8. 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.

  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. 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

  15. 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.

  16. 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.

  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. 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

  20. 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.

  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. 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

  4. 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.

  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. 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.

  9. 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.

  10. 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.

  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. 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.

  17. 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…

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. 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

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. 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.

  9. 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

  10. 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.