Science.gov

Sample records for organic-metal interface energetics

  1. Final-state diffraction effects in angle-resolved photoemission at an organic-metal interface

    NASA Astrophysics Data System (ADS)

    Bocquet, F. C.; Giovanelli, L.; Amsalem, P.; Petaccia, L.; Topwal, D.; Gorovikov, S.; Abel, M.; Koch, N.; Porte, L.; Goldoni, A.; Themlin, J.-M.

    2011-12-01

    In this paper it is shown that angle-resolved photoemission performed using low-energy photons on an organic-metal interface allows to clearly distinguish genuine interface states from features of substrate photoelectrons diffracted by the molecular lattice. As a model system an ordered monolayer of Zn-phthalocyanine is used as a diffraction lattice to probe the electronic band structure of a Ag(110) substrate. Photoemission close to normal emission geometry reveals strongly dispersive features absent in the pristine substrate spectra. Density functional theory modeling helped identifying these as bulk sp direct transitions undergoing surface-umklapp processes. The present results establish the important role of final-state diffraction effects in photoemission experiments at organic-inorganic interfaces.

  2. Energy level alignment at hybridized organic-metal interfaces from a GW projection approach

    NASA Astrophysics Data System (ADS)

    Chen, Yifeng; Tamblyn, Isaac; Quek, Su Ying

    Energy level alignments at organic-metal interfaces are of profound importance in numerous (opto)electronic applications. Standard density functional theory (DFT) calculations generally give incorrect energy level alignments and missing long-range polarization effects. Previous efforts to address this problem using the many-electron GW method have focused on physisorbed systems where hybridization effects are insignificant. Here, we use state-of-the-art GW methods to predict the level alignment at the amine-Au interface, where molecular levels do hybridize with metallic states. This non-trivial hybridization implies that DFT result is a poor approximation to the quasiparticle states. However, we find that the self-energy operator is approximately diagonal in the molecular basis, allowing us to use a projection approach to predict the level alignments. Our results indicate that the metallic substrate reduces the HOMO-LUMO gap by 3.5 4.0 eV, depending on the molecular coverage/presence of Au adatoms. Our GW results are further compared with those of a simple image charge model that describes the level alignment in physisorbed systems. Syq and YC acknowledge Grant NRF-NRFF2013-07 and the medium-sized centre program from the National Research Foundation, Singapore.

  3. Interpretation of valence band photoemission spectra at organic-metal interfaces

    NASA Astrophysics Data System (ADS)

    Giovanelli, L.; Bocquet, F. C.; Amsalem, P.; Lee, H.-L.; Abel, M.; Clair, S.; Koudia, M.; Faury, T.; Petaccia, L.; Topwal, D.; Salomon, E.; Angot, T.; Cafolla, A. A.; Koch, N.; Porte, L.; Goldoni, A.; Themlin, J.-M.

    2013-01-01

    Adsorption of organic molecules on well-oriented single-crystal coinage metal surfaces fundamentally affects the energy distribution curve of ultraviolet photoelectron spectroscopy spectra. New features not present in the spectrum of the pristine metal can be assigned as “interface states” having some degree of molecule-substrate hybridization. Here it is shown that interface states having molecular orbital character can easily be identified at low binding energy as isolated features above the featureless substrate sp plateau. On the other hand, much care must be taken in assigning adsorbate-induced features when these lie within the d-band spectral region of the substrate. In fact, features often interpreted as characteristic of the molecule-substrate interaction may actually arise from substrate photoelectrons scattered by the adsorbates. This phenomenon is illustrated through a series of examples of noble-metal single-crystal surfaces covered by monolayers of large π-conjugated organic molecules.

  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. 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

  6. 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.

  7. ENERGETICS OF SOLID/SOLID AND LIQUID/SOLID INTERFACES

    SciTech Connect

    DR. PAUL WYNBLATT

    2004-10-13

    The main thrust of this research was to develop better understanding of the interfacial energetics of crystalline particles of one phase confined (or embedded) in matrices of another phase. Much of the work that motivated this research had been performed on Pb particles embedded in Al. Furthermore, significant contributions to that body of knowledge had emerged from collaborative work between Dr. U. Dahmen of the National Center for Electron Microscopy at LBNL and Prof. E. Johnson of the Neils Bohr Institute of the University of Copenhagen. Thus, the work performed under this Grant benefited from significant input into the design of the research from Dr. Dahmen and Prof. Johnson, who were officially listed as collaborators on the grant. Beyond interest in interfacial energies, there were several intriguing observations on Pb particles embedded in Al for which understanding was lacking. These included observations of large melting point elevation, or superheating, of embedded Pb particles. The melting temperature of these particles was found to increase with decreasing particle size, and to rise several tens of degrees above the bulk melting temperature for nano-scale particles. Since nucleation phenomena play an important role in melting and freezing, it was clear that the difficulties of interpreting superheating during melting could not readily be addressed without knowledge of the interfacial energies that enter into the formalism used to predict nucleation effects. The approaches taken in the studies included computer simulations, experimental studies and analytical modeling. Although about half of the work focused on Pb particles embedded in Al, other systems and issues were also addressed.

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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

  13. 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.

  14. 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.}

  15. 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.

  16. 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

  17. 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.

  18. Dominant effects of first monolayer energetics at donor/acceptor interfaces on organic photovoltaics.

    PubMed

    Izawa, Seiichiro; Nakano, Kyohei; Suzuki, Kaori; Hashimoto, Kazuhito; Tajima, Keisuke

    2015-05-20

    Energy levels of the first monolayer are manipulated at donor/acceptor interfaces in planar heterojunction organic photovoltaics by using molecular self-organization. A "cascade" energy landscape allows thermal-activation-free charge generation by photoirradiation, destabilizes the energy of the interfacial charge-transfer state, and suppresses bimolecular charge recombination, resulting in a higher open-circuit voltage and fill factor.

  19. 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.

  20. 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

  1. 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.

  2. Solar Cycle Effects on the Heliospheric Interface and Related Energetic Neutral Atom Production

    NASA Astrophysics Data System (ADS)

    Pogorelov, N. V.; Heerikhuisen, J.; Borovikov, S.; Ebert, R. W.; Suess, S. T.; Zank, G. P.

    2013-05-01

    Solar cycle has a profound influence on the solar wind (SW) interaction with the local interstellar medium (LISM) on more than one time scales. Also, there are substantial differences in individual solar cycle lengths and SW behavior within them. The presence of a slow SW belt, with a variable latitudinal extent changing within each solar cycle from rather small angles to 90 degrees, separated from the fast wind that originates at coronal holes substantially affects plasma at the heliospheric interface, in the compressed plasma layers ahead of and behind the heliopause. The solar cycle may be the reason of the complicated flow structure being observed in the inner heliosheath by Voyager 1. We present the results of the solar cycle simulations based on different numerical models, including the model with the SW boundary conditions derived from Ulysses measurements, and demonstrate how they can explain the observations of small to negative SW radial velocity components at Voyager 1, as well as an abrupt decrease in the ACR flux. Related changes in the ENA flux throughout the solar cycle are also discussed in the context of IBEX measurements.

  3. 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.

  4. Ion-Specific Induced Fluctuations and Free Energetics of Aqueous Protein Hydrophobic Interfaces: Toward Connecting to Specific-Ion Behaviors at Aqueous Liquid–Vapor Interfaces

    PubMed Central

    2015-01-01

    We explore anion-induced interface fluctuations near protein–water interfaces using coarse-grained representations of interfaces as proposed by Willard and Chandler (J. Phys. Chem. B2010, 114, 1954−195820055377). We use umbrella sampling molecular dynamics to compute potentials of mean force along a reaction coordinate bridging the state where the anion is fully solvated and one where it is biased via harmonic restraints to remain at the protein–water interface. Specifically, we focus on fluctuations of an interface between water and a hydrophobic region of hydrophobin-II (HFBII), a 71 amino acid residue protein expressed by filamentous fungi and known for its ability to form hydrophobically mediated self-assemblies at interfaces such as a water/air interface. We consider the anions chloride and iodide that have been shown previously by simulations as displaying specific-ion behaviors at aqueous liquid–vapor interfaces. We find that as in the case of a pure liquid–vapor interface, at the hydrophobic protein–water interface, the larger, less charge-dense iodide anion displays a marginal interfacial stability compared with that of the smaller, more charge-dense chloride anion. Furthermore, consistent with the results at aqueous liquid–vapor interfaces, we find that iodide induces larger fluctuations of the protein–water interface than chloride. PMID:24701961

  5. Structure and energetics of As dimers on GaAs:(chalcogen) (001) surfaces and GaAs/Te/InAs interface

    NASA Astrophysics Data System (ADS)

    Miwa, R. H.; Ferraz, A. C.

    1998-01-01

    We have performed first principles calculations for the adsorption of As2 molecules over GaAs:Te, GaAs:Se and GaAs:S(001) surfaces. We investigate the dimer exchange process between the adsorbed As2 dimer and the sublayer chalcogen atoms. The adsorption on Te terminated surface and the subsequent exchange process, confirm the surfactant action of Te atoms. For Se and S covered surfaces, the adsorption of As2 molecule is an exothermic process, but the subsequent Se(S) ↔ As exchange process is not energetically favourable. The GaAs/Te/InAs interface with half a monolayer of Te is also considered. For the interface we find a valence-band offset of 0.18 eV.

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

    NASA Astrophysics Data System (ADS)

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

    2012-09-01

    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.

  7. 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 .

  8. 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

  9. Theoretical study of interface structure and energetics in semicoherent Fe(001)/MX(001) systems ( M=Sc , Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N)

    NASA Astrophysics Data System (ADS)

    Fors, Dan H. R.; Wahnström, Göran

    2010-11-01

    We perform a systematic ab initio study of the electronic and atomic structure of semicoherent interfaces between bcc Fe and NaCl MX ( M=Sc , Ti, V, Cr, Zr, Nb, Hf, Ta; X=C or N). The interface energetics is accessed by using a Peierls-Nabarro framework, in which ab initio data for the chemical interactions across the interface are combined with a continuum description to account for the elastic distortions. The key factors to the trends in the interface energy are identified and discussed with respect to the size of the misfit and the electronic structure of the MX phase. Our approach shows that the inclusion of lattice misfit can have a significant contribution to the interface energy (up to 1.5J/m2 ) and must therefore be thoroughly accounted for in the interface description. The results will have important bearings on our ability to understand and describe precipitate stability in steels.

  10. 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

  11. 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

  12. Asymmetric organic/metal(oxide) hybrid nanoparticles: synthesis and applications

    NASA Astrophysics Data System (ADS)

    He, Jie; Liu, Yijing; Hood, Taylor C.; Zhang, Peng; Gong, Jinlong; Nie, Zhihong

    2013-05-01

    Asymmetric particles (APs) with broken centrosymmetry are of great interest, due to the asymmetric surface properties and diverse functionalities. In particular, organic/metal(oxide) APs naturally combine the significantly different and complementary properties of organic and inorganic species, leading to their unique applications in various fields. In this review article, we highlighted recent advances in the synthesis and applications of organic/metal(oxide) APs. This type of APs is grounded on chemical or physical interactions between metal(oxide) NPs and organic small molecular or polymeric ligands. The synthetic methodologies were summarized in three categories, including the selective surface modifications, phase separation of mixed ligands on the surface of metal(oxide) NPs, and direct synthesis of APs. We further discussed the unique applications of organic/metal(oxide) APs in self-assembly, sensors, catalysis, and biomedicine, as a result of the distinctions between asymmetrically distributed organic and inorganic components. Finally, challenges and future directions are discussed in an outlook section.

  13. Asymmetric organic/metal(oxide) hybrid nanoparticles: synthesis and applications.

    PubMed

    He, Jie; Liu, Yijing; Hood, Taylor C; Zhang, Peng; Gong, Jinlong; Nie, Zhihong

    2013-06-21

    Asymmetric particles (APs) with broken centrosymmetry are of great interest, due to the asymmetric surface properties and diverse functionalities. In particular, organic/metal(oxide) APs naturally combine the significantly different and complementary properties of organic and inorganic species, leading to their unique applications in various fields. In this review article, we highlighted recent advances in the synthesis and applications of organic/metal(oxide) APs. This type of APs is grounded on chemical or physical interactions between metal(oxide) NPs and organic small molecular or polymeric ligands. The synthetic methodologies were summarized in three categories, including the selective surface modifications, phase separation of mixed ligands on the surface of metal(oxide) NPs, and direct synthesis of APs. We further discussed the unique applications of organic/metal(oxide) APs in self-assembly, sensors, catalysis, and biomedicine, as a result of the distinctions between asymmetrically distributed organic and inorganic components. Finally, challenges and future directions are discussed in an outlook section.

  14. 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.

  15. 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.

  16. General energetics

    SciTech Connect

    Smil, V.

    1991-01-01

    This book is a comprehensive sourcebook for planetary management and strategies for sustainable development. Coupling biospheric and civilizational aspects, the book features thorough treatments of all critical energy storages, flows, and conversions. Measurements of energy and power densities and intensities are used throughout the book to provide an integrated framework of analysis for all segments of energetics from planetary and bioenergetics to the human energetics of hunting-gathering and agricultural societies through modern industrial civilization. Coverage also examines the environmental and socio-economic implication of the general patterns and trends of modern energy use.

  17. Benchtop energetics progress

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

    We have constructed an apparatus for investigating the reactive chemical dynamics of mgscale energetic materials samples. We seek to advance the understanding of the reaction kinetics of energetic materials, and of the chemical influences on energetic materials sensitivity. We employ direct laser irradiation, and indirect laser-driven shock, techniques to initiate thin-film explosive samples contained in a high-vacuum chamber. Expansion of the reacting flow into vacuum quenches the chemistry and preserves reaction intermediates for interrogation via time-of-flight mass spectrometry (TOFMS). By rastering the sample coupon through the fixed laser beam focus, we generate hundreds of repetitive energetic events in a few minutes. A detonation wave passing through an organic explosive, such as pentaerythritol tetranitrate (PETN, C5H8N4O12), is remarkably efficient in converting the solid explosive into final thermodynamically-stable gaseous products (e.g. N2, CO, CO2, H2O…). Termination of a detonation at an explosive-to-vacuum interface produces an expanding pulse of hyperthermal molecular species, with leading-edge velocities ~ 10 km/s. In contrast, deflagration (subsonic combustion) of PETN in vacuum produces mostly reaction intermediates, such as NO and NO2, with much slower molecular velocities; consistent with expansion-quenched thermal decomposition of PETN. We propose to exploit these differences in product chemical identities and molecular species velocities to provide a chemically-based diagnostic for distinguishing between "detonation-like" and deflagration events. We report recent progress towards the quantitative detection of hyperthermal neutral species produced by direct laser ablation of aluminum metal and of organic energetic materials, as a step towards demonstrating the ability to discriminate slow reaction intermediates from fast thermodynamically-stable final products.

  18. Benchtop Energetics Progress

    NASA Astrophysics Data System (ADS)

    Fajardo, Mario

    2011-06-01

    We have constructed an apparatus for investigating the reactive chemical dynamics of mg-scale energetic materials samples. We seek to advance the understanding of the reaction kinetics of energetic materials, and of the chemical influences on energetic materials sensitivity. We employ direct laser irradiation, and indirect laser-driven shock, techniques to initiate thin-film explosive samples contained in a high-vacuum chamber. Expansion of the reacting flow into vacuum quenches the chemistry and preserves reaction intermediates for interrogation via time-of-flight mass spectrometry (TOFMS). By rastering the sample coupon through the fixed laser beam focus, we generate hundreds of repetitive energetic events in a few minutes. A detonation wave passing through an organic explosive, such as pentaerythritol tetranitrate (PETN, C5H4N4O12) , is remarkably efficient in converting the solid explosive into final thermodynamically-stable gaseous products (e . g . N2, CO2, H2O...). Termination of a detonation at an explosive-to-vacuum interface produces an expanding pulse of hyperthermal molecular species, with leading-edge velocities ~10 km/s. In contrast, deflagration (subsonic combustion) of PETN in vacuum produces mostly reaction intermediates, such as NO and NO2, with much slower molecular velocities; consistent with expansion-quenched thermal decomposition of PETN. We propose to exploit these differences in product chemical identities and molecular species velocities to provide a chemically-based diagnostic for distinguishing between detonation and deflagration events. In this talk we also report recent progress towards the quantitative detection of hyperthermal neutral species produced by direct laser ablation of aluminum metal and of organic energetic materials, as a step towards demonstrating the ability to discriminate slow reaction intermediates from fast thermodynamically-stable final products. Work done in collaboration with Emily Fossum, Christopher Molek, and

  19. Reversible and Irreversible Adsorption Energetics of Poly(ethylene glycol) and Sorbitan Poly(ethoxylate) at a Water/Alkane Interface.

    PubMed

    Huston, Kyle J; Larson, Ronald G

    2015-07-14

    We simulate poly(ethylene glycol) (PEG) oligomers and model Tween 80 (polyoxyethylene sorbitan monooleate) molecules at water/alkane interfaces. Using the weighted histogram analysis method (WHAM), including an extension of WHAM to two reaction coordinates to remove hysteresis, we calculate interfacial potentials of mean force (PMFs) for PEG and Tween 80 using three force fields: the atomistic GROMOS 53a6OXY+D and two coarse-grained (CG) MARTINI force fields. Because the force fields have not yet been validated for PEO adsorption to hydrophobic interfaces, we calculate PMFs for alcohol ethoxylates C12E2 and C12E8 and find that they agree with semiempirical results of Mulqueen and Blankschtein [Langmuir 2002, 18 (2), 365-376] for the GROMOS 53a6OXY+D force field, whereas for both MARTINI force fields, PEO adsorbs too weakly to a clean hydrophobic interface. One MARTINI force field incorrectly shows depletion rather than adsorption to a clean hydrophobic interface. We find that the adsorption free energy for PEG oligomers at a clean, planar water/alkane interface is around 1.3 kBT per monomer for the atomistic force field but is less than half of this for the two CG force fields. With the newly validated GROMOS 53a6OXY+D force field, we bracket the dilute adsorption free energy for a model Tween 80 molecule at the clean water/squalane interface. We also calculate the pressure-area isotherm. We exploit these data with the Nikas-Mulqueen-Blankschtein (NMB) theory and a simple transport model to demonstrate a transition from irreversible to reversible adsorption with increasing surface coverage, consistent with experimental results of Reichert and Walker [Langmuir 2013, 29 (6), 1857-1867].

  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. Development of new inorganic luminescent materials by organic-metal complex route

    NASA Astrophysics Data System (ADS)

    Manavbasi, Alp

    The development of novel inorganic luminescent materials has provided important improvements in lighting, display, and other technologically-important optical devices. The optical characteristics of inorganic luminescent materials (phosphors) depend on their physicochemical characteristics, including the atomic structure, homogeneity in composition, microstructure, defects, and interfaces which are all controlled by thermodynamics and kinetics of synthesis from various raw materials. A large variety of technologically-important phosphors have been produced using conventional high-temperature solid-state methods. For the synthesis of functional ceramic materials with ionic dopants in a host lattice, (such as phosphors), synthesis using organic-metal complex methods and other wet chemistry routes have been found to be excellent techniques. These methods have inherent advantages such as good control of stoichiometry by molecular level of mixing, product homogeneity, simpler synthesis procedures, and use of relatively-low calcination temperatures. Supporting evidence for this claim is accomplished by a comparison of photoluminescence characteristics of a commercially available green phosphor, Zn2SiO4:Mn, with the same material system synthesized by organic-metal synthesis route. In this study, new inorganic luminescent materials were produced using rare-earth elements (Eu3+, Ce3+, Tb3+ ) and transition metals (Cu+, Pb2+) as dopants within the crystalline host lattices; SrZnO2, Ba2YAlO 5, M3Al2O6 (M=Ca,Sr,Ba). These novel phosphors were prepared using the organic-metal complex route. Polyvinyl alcohol, sucrose, and adipic acid were used as the organic component to prepare the ceramic precursors. Materials characterization of the synthesized precursor powders and calcined phosphor samples was performed usingX-Ray Diffraction, Scanning Electron Microscopy, Photon-Correlation spectroscopy, and Fourier Transform Infrared Spectroscopy techniques. In addition to the

  2. 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.

  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. Interface characteristics at an organic/metal junction: pentacene on Cu stepped surfaces

    NASA Astrophysics Data System (ADS)

    Matos, Jeronimo; Kara, Abdelkader

    2016-11-01

    The adsorption of pentacene on Cu (2 2 1), Cu (5 1 1) and Cu (9 1 1) is investigated using density functional theory (DFT) with the self-consistent inclusion of van der Waals (vdW) interactions. Cu (2 1 1) is a vicinal of Cu (1 1 1) while Cu (5 1 1) and (9 1 1) are vicinals of Cu (1 0 0). For all the three surfaces, we found pentacene to prefer to adsorb parallel to the surface and near the steps. The addition of vdW interactions resulted in an enhancement in adsorption energies, with reference to the PBE functional, of around 2 eV. With vdWs inclusion, the adsorption energies were found to be 2.98 eV, 3.20 eV and 3.49 eV for Cu (2 2 1), Cu (5 1 1) and Cu (9 1 1) respectively. These values reflect that pentacene adsorbs stronger on (1 0 0) terraces with a preference for larger terraces. The molecule tilts upon adsorption with a small tilt angle on the (1 0 0) vicinals (about a few degrees) as compared to a large one on Cu (2 2 1) where the tilt angle is found to be about 20°. We find that the adsorption results in a net charge transfer to the molecule of ~1 electron, for all surfaces.

  5. 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

  6. Particle engulfment and pushing in metal-ceramic and organic metal-analogue systems in microgravity

    NASA Astrophysics Data System (ADS)

    Juretzko, Frank Robert

    The phenomenon of particle pushing, i.e., the dislocation of an insoluble particle suspended in a liquid by an advancing solid/liquid interface, is found in a variety of applications, such as the production of cast metal matrix composites, the inclusion control in metallic melts, the production of superconductors, and in frost heaving. The problem has been treated from a theoretical standpoint since 1960. Reliable experimental data for theoretical model evaluation have not been available. One reason is the presence of thermal convection in liquids when subjected to a thermal gradient. This work took advantage of a convection free environment on board the space shuttle. The first experiments used aluminum and an aluminum-nickel alloy as matrix materials and zirconia particles of 500 mum diameter during the life and micro-gravity mission (LMS) in 1996. Experimental variables were the solidification velocity, the design of the cartridge, and the velocity profile. Particle positions before and after processing were compared by X-ray transmission microscopy. No pushing was observed above 1 mum/s solidification velocity. A step-wise increase of the furnace velocity provided closer control of the solidification velocity and both cartridge designs yielded sound samples with the aluminum matrix. The second experiments used organic metal-analogue matrices, namely succinonitrile and biphenyl, which allow for the direct observation of the particles at the solidification front. The experiments were conducted during the United States Materials Payload mission no.4 (USMP-4) on board the space shuttle in 1997. The particles in succinonitrile were polystyrene particles of 0.5 to 25 mum diameter, while for the biphenyl matrix glass particles were used of 2.5 to 10 mum diameter. The processing of eight samples resulted in a large number of data. The succinonitrile/polystyrene system yielded a good correlation of particle radius versus solidification velocity. The discrepancy of model

  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. 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.

  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. Dense energetic nitraminofurazanes.

    PubMed

    Fischer, Dennis; Klapötke, Thomas M; Reymann, Marius; Stierstorfer, Jörg

    2014-05-19

    3,3'-Diamino-4,4'-bifurazane (1), 3,3'-diaminoazo-4,4'-furazane (2), and 3,3'-diaminoazoxy-4,4'-furazane (3) were nitrated in 100 % HNO3 to give corresponding 3,3'-dinitramino-4,4'-bifurazane (4), 3,3'-dinitramino-4,4'-azofurazane (5) and 3,3'-dinitramino-4,4'-azoxyfurazane (6), respectively. The neutral compounds show very imposing explosive performance but possess lower thermal stability and higher sensitivity than hexogen (RDX). More than 40 nitrogen-rich compounds and metal salts were prepared. Most compounds were characterized by low-temperature X-ray diffraction, all of them by infrared and Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and by differential scanning calorimetry (DSC). Calculated energetic performances using the EXPLO5 code based on calculated (CBS-4M) heats of formation and X-ray densities support the high energetic performances of the nitraminofurazanes as energetic materials. The sensitivities towards impact, friction, and electrostatic discharge were also explored. Additionally the general toxicity of the anions against vibrio fischeri, representative for an aquatic microorganism, was determined.

  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. 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.

  16. 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.

  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

    Stoddard, Philip K; Salazar, Vielka L

    2011-01-15

    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.

  19. 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

  20. 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).

  1. 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.

  2. 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.

  3. 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.

  4. 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.

  5. 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.

  6. Method for forming energetic nanopowders

    DOEpatents

    Lee, Kien-Yin; Asay, Blaine W.; Kennedy, James E.

    2013-10-15

    A method for the preparation of neat energetic powders, having nanometer dimensions, is described herein. For these neat powder, a solution of a chosen energetic material is prepared in an aprotic solvent and later combined with liquid hexane that is miscible with such solvent. The energetic material chosen is less soluble in the liquid hexane than in the aprotic solvent and the liquid hexane is cooled to a temperature that is below that of the solvent solution. In order to form a precipitate of said neat powders, the solvent solution is rapidly combined with the liquid hexane. When the resulting precipitate is collected, it may be dried and filtered to yield an energetic nanopowder material.

  7. 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 ...

  8. Defect-driven interfacial electronic structures at an organic/metal-oxide semiconductor heterojunction.

    PubMed

    Winget, Paul; Schirra, Laura K; Cornil, David; Li, Hong; Coropceanu, Veaceslav; Ndione, Paul F; Sigdel, Ajaya K; Ginley, David S; Berry, Joseph J; Shim, Jaewon; Kim, Hyungchui; Kippelen, Bernard; Brédas, Jean-Luc; Monti, Oliver L A

    2014-07-16

    The electronic structure of the hybrid interface between ZnO and the prototypical organic semiconductor PTCDI is investigated via a combination of ultraviolet and X-ray photoelectron spectroscopy (UPS/XPS) and density functional theory (DFT) calculations. The interfacial electronic interactions lead to a large interface dipole due to substantial charge transfer from ZnO to 3,4,9,10-perylenetetracarboxylicdiimide (PTCDI), which can be properly described only when accounting for surface defects that confer ZnO its n-type properties. PMID:24830796

  9. 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.

  10. 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.

  11. 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

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

    DOE PAGES

    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

  13. 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.

  14. 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.

  15. 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.

  16. 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.

  17. 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

  18. The Principle of Energetic Consistency

    NASA Technical Reports Server (NTRS)

    Cohn, Stephen E.

    2009-01-01

    A basic result in estimation theory is that the minimum variance estimate of the dynamical state, given the observations, is the conditional mean estimate. This result holds independently of the specifics of any dynamical or observation nonlinearity or stochasticity, requiring only that the probability density function of the state, conditioned on the observations, has two moments. For nonlinear dynamics that conserve a total energy, this general result implies the principle of energetic consistency: if the dynamical variables are taken to be the natural energy variables, then the sum of the total energy of the conditional mean and the trace of the conditional covariance matrix (the total variance) is constant between observations. Ensemble Kalman filtering methods are designed to approximate the evolution of the conditional mean and covariance matrix. For them the principle of energetic consistency holds independently of ensemble size, even with covariance localization. However, full Kalman filter experiments with advection dynamics have shown that a small amount of numerical dissipation can cause a large, state-dependent loss of total variance, to the detriment of filter performance. The principle of energetic consistency offers a simple way to test whether this spurious loss of variance limits ensemble filter performance in full-blown applications. The classical second-moment closure (third-moment discard) equations also satisfy the principle of energetic consistency, independently of the rank of the conditional covariance matrix. Low-rank approximation of these equations offers an energetically consistent, computationally viable alternative to ensemble filtering. Current formulations of long-window, weak-constraint, four-dimensional variational methods are designed to approximate the conditional mode rather than the conditional mean. Thus they neglect the nonlinear bias term in the second-moment closure equation for the conditional mean. The principle of

  19. Shock Sensitivity of energetic materials

    NASA Technical Reports Server (NTRS)

    Kim, K.

    1980-01-01

    Viscoplastic deformation is examined as the principal source of hot energy. Some shock sensitivity data on a proposed model is explained. A hollow sphere model is used to approximate complex porous matrix of energetic materials. Two pieces of shock sensitivity data are qualitatively compared with results of the proposed model. The first is the p2 tau law. The second is the desensitization of energetic materials by a ramp wave applied stress. An approach to improve the model based on experimental observations is outlined.

  20. 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.

  1. Heliospheric Observations of Energetic Particles

    NASA Technical Reports Server (NTRS)

    Summerlin, Errol J.

    2011-01-01

    Heliospheric observations of energetic particles have shown that, on long time averages, a consistent v^-5 power-law index arises even in the absence of transient events. This implies an ubiquitous acceleration process present in the solar wind that is required to generate these power-law tails and maintain them against adiabatic losses and coulomb-collisions which will cool and thermalize the plasma respectively. Though the details of this acceleration process are being debated within the community, most agree that the energy required for these tails comes from fluctuations in the magnetic field which are damped as the energy is transferred to particles. Given this source for the tail, is it then reasonable to assume that the turbulent LISM should give rise to such a power-law tail as well? IBEX observations clearly show a power-law tail of index approximately -5 in energetic neutral atoms. The simplest explanation for the origins of these ENAs are that they are energetic ions which have charge-exchanged with a neutral atom. However, this would imply that energetic ions possess a v^-5 power-law distribution at keV energies at the source of these ENAs. If the source is presumed to be the LISM, it provides additional options for explaining the, so called, IBEX ribbon. This presentation will discuss some of these options as well as potential mechanisms for the generation of a power-law spectrum in the LISM.

  2. Computational studies of energetic nitramines

    NASA Astrophysics Data System (ADS)

    Politzer, Peter

    1991-09-01

    This final report summarizes our computational investigations of energetic materials carried out over a six-year period. It is divided into seven main sections, describing the major themes of this project. First, factors important in designing molecules with high specific impulse values and in determining the sensitivities of energetic systems are discussed, followed by a review of our analysis of reaction energetics (carried out primarily using a local density functional approach). Next, studies aimed at providing insight into possible synthetic routes are summarized, followed by a section on fundamental molecular properties of nitramines. Surface electrostatic potentials of the four known CL-20 polymorphs show significant differences in their tendencies for intermolecular interactions. We have calculated structures and reactive properties for a variety of new energetic materials, including heterocyclic, ionic, mesoionic and zwitterionic systems. We have shown that correlations exist between key calculated properties (the electrostatic potential V(r) and the average local ionization energy I(r)) and a number of experimentally-based indices of reactivity.

  3. 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.

  4. 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.

  5. Energetic ions in ITER plasmas

    NASA Astrophysics Data System (ADS)

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

    2015-02-01

    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.

  6. Energetic Neutral Atom Precipitation (ENAP)

    NASA Technical Reports Server (NTRS)

    Tinsley, B. A.

    1988-01-01

    The Energetic Neutral Atom Precipitation experiment is scheduled to be flown on the Atmospheric Laboratory for Applications and Science (ATLAS 1) NASA mission. The objective of this experiment is to measure very faint emissions at nighttime arising from fluxes of energetic neutral atoms in the thermosphere. These energetic atoms have energies ranging up to about 50 keV, and arise from ions of hydrogen, helium, and oxygen trapped in the inner magnetosphere. Some of these ions become neutralized in charge exchange reactions with neutral hydrogen in the hydrogen geocorona that extends through the region. The ions are trapped on magnetic field lines which cross the equatorial plane at 2 to 6 earth radii distance, and they mirror at a range of heights on these field lines, extending down to the thermosphere at 500 km altitude. The ATLAS 1 measurements will not be of the neutral atoms themselves but of the optical emission produced by those on trajectories that intersect the thermosphere. The ENAP measurements are to be made using the Imaging Spectrometric Observatory (ISO) which is being flown on the ATLAS mission primarily for daytime spectral observations, and the ENAP measurements will all be nighttime measurements because of the faintness of the emissions and the relatively low level of magnetic activity expected.

  7. 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.

  8. The field-dependent interface recombination velocity for organic-inorganic heterojunction

    NASA Astrophysics Data System (ADS)

    Szmytkowski, Jędrzej

    2016-10-01

    We have derived an analytical formula which describes the field-dependent interface recombination velocity for the boundary of two materials characterized by different permittivities. The interface recombination of charge carriers has been considered in the presence of image force Schottky barrier. We suggest that this effect may play an important role in the loss of current for organic-inorganic hybrid heterojunctions. It has been proved that the presented method is a generalization of the Scott-Malliaras model of surface recombination at the organic/metal interface. We also discuss that this model is intuitively similar but not analogous to the Langevin mechanism of bulk recombination.

  9. 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

  10. 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.

  11. Energetic Particles in Saturn's Magnetotail

    NASA Astrophysics Data System (ADS)

    Mitchell, D. G.; Carbary, J. F.; Krupp, N.; Krimigis, S. M.; Hamilton, D. C.; Kane, M.

    2007-12-01

    Energetic particle measurements in Saturn's magnetotail reveal a magnetotail dominated by Saturn's rotational dynamics as far back in the tail as 60 Rs, rarely but sometimes spectacularly disrupted by tail reconnection events. Although Cassini spent little time in the tail, and even less at the location of the tail current sheet, the time spent there revealed a pattern of very regular encounters with the energetic particles that fill the current sheet, usually once every Saturn rotation. Carbary et al. 2007a, b show that energetic electrons reappear every rotation when the spacecraft is sufficiently close to the current sheet location, and further that they lie along a spiral in longitude when mapped into the SKR coordinate system (Kurth et al., 2007). Energetic ions are also observed in the same locations, with a mix of hydrogen and oxygen not very different from that observed in the magnetosphere between 10 and 20 Rs. These ions generally display velocities approximately in the corotation direction, but with magnitudes well below rigid corotation (Kane et al., 2007, manuscript in preparation). Two other classes of energetic particle events are also seen in the magnetotail. The first consists of energetic ion and electron beams, likely accelerated in the auroral zone over downward current regions. The second are those generated in tail reconnection events (e.g., Jackman et al., 2007; Hill et al. 2007). We will give examples of all of these phenomena, including both in situ measurements and ENA images/movies. Carbary, J.~F., Mitchell, D.~G., Krimigis, S.~M., Hamilton, D.~C., Krupp, N., Charged particle periodicities in Saturn's outer magnetosphere, Journal of Geophysical Research (Space Physics) 112, 6246 {2007JGRA..11206246C} 2007a Carbary, J. F., D. G. Mitchell, S. M. Krimigis, and N. Krupp (2007), Evidence for spiral pattern in Saturn's magnetosphere using the new SKR longitudes, Geophys. Res. Lett., 34, L13105, doi:10.1029/2007GL030167 2007b Kurth, W. S., A

  12. 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.

  13. 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.

  14. Simulated Shockwaves in Nanoparticles Embedded Energetics

    NASA Astrophysics Data System (ADS)

    Mattson, William; Johnson, Donald; Mullin, Jonathan

    2015-06-01

    Practical energetic materials often consist of mixtures of distinct materials formulated to optimize specific properties. Nanoparticles of traditional as well as novel additives, with their large surface to volume ratio, have been of particular recent interest to the energetics community. Using density functional theory, we have simulated high-velocity shocks of an energetic material containing nanoparticles. We will report on simulations of shocks in crystalline PETN embedded with nanodiamonds of different sizes, and at various shock speeds.

  15. 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.

  16. 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.

  17. National Ignition Campaign Hohlraum Energetics

    NASA Astrophysics Data System (ADS)

    Meezan, Nathan

    2009-11-01

    The first series of experiments on the National Ignition Facility (NIF), as part of the National Ignition Campaign, will determine the hohlraum path forward for indirect drive ignition. These first experiments will test ignition hohlraum ``energetics,'' a term described by four broad goals: *Measurement of laser absorption by the hohlraum *Measurement of the x-ray radiation flux (TRAD^4) on the surrogate ignition capsule *Quantitative understanding of the laser absorption and resultant x-ray flux *Determining whether initial hohlraum performance is consistent with point design requirements for ignition using either a beryllium or plastic capsule ablator. In this talk, we summarize the status of NIF hohlraum energetics experiments. We describe the hohlraum target and experimental design, including an overview of the theoretical and computational tools that have been used to design the hohlraums. We explain the validation of these tools on predecessor facilities and describe their performance on the first NIF experiments. We then discuss our current understanding of NIF hohlraum performance and the resulting near-term and long-term plans for NIF ignition hohlraum experiments.

  18. 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.

  19. 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.

  20. Energetic materials and methods of tailoring electrostatic discharge sensitivity of energetic materials

    DOEpatents

    Daniels, Michael A.; Heaps, Ronald J.; Wallace, Ronald S.; Pantoya, Michelle L.; Collins, Eric S.

    2016-11-01

    An energetic material comprising an elemental fuel, an oxidizer or other element, and a carbon nanofiller or carbon fiber rods, where the carbon nanofiller or carbon fiber rods are substantially homogeneously dispersed in the energetic material. Methods of tailoring the electrostatic discharge sensitivity of an energetic material are also disclosed.

  1. Geomagnetically trapped energetic helium nuclei

    SciTech Connect

    Chen, J.; Gregory Guzik, T.; Wefel, J.P.; Roger Pyle, K.; Cooper, J.F.

    1996-07-01

    Geomagnetically trapped helium nuclei, at high energy ({approximately}40{endash}100 MeV/nucleon), have been measured by the ONR-604 instrument during the 1990/1991 CRRES mission. The ONR-604 instrument resolved the isotopes of helium with a mass resolution of 0.1 amu. The energetic helium observed at {ital L}{lt}2.3 have a pitch angle distribution peaking perpendicular to the local magnetic field, which is characteristic of a trapped population. Both the trapped {sup 3}He and {sup 4}He show two peaks at {ital L}=1.2 and 1.9. Each isotope{close_quote}s flux, in each peak, can be characterized by a power law energy spectrum. The energy spectrum of the {sup 3}He is different from that of {sup 4}He, indicating that the {sup 3}He/{sup 4}He ratio is energy dependent. Over the energy range of 51{endash}86 MeV/nucleon, the {sup 3}He/{sup 4}He ratio is 8.7{plus_minus}3.1 at {ital L}=1.1{endash}1.5 and is 2.4{plus_minus}0.6 at {ital L}=1.5{endash}2.3. The trapped helium counting rates decrease gradually with time during the CRRES mission, when the anomalous component is excluded from the inner heliosphere, indicating that these high energy ions were not injected by flares during this time period. The decrease in intensity is attributed mainly to the events around {ital L}=1.9. The helium around {ital L}=1.2, dominated by {sup 3}He, does not show a significant temporal evolution, which implies a long-term energetic trapped {sup 3}He population. Two possible origins of the geomagnetically trapped helium isotopes are the interactions of energetic protons with the upper atmosphere and/or the inward diffusion and acceleration of helium ions due to electric-field fluctuations. {copyright} {ital 1996 American Institute of Physics.}

  2. 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.

  3. 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.

  4. CORSAIR Solar Energetic Particle Model

    NASA Astrophysics Data System (ADS)

    Sandroos, A.

    2013-05-01

    Acceleration of particles in coronal mass ejection (CME) driven shock waves is the most commonly accepted and best developed theory of the genesis of gradual solar energetic particle (SEP) events. The underlying acceleration mechanism is the diffusive shock acceleration (DSA). According to DSA, particles scatter from fluctuations present in the ambient magnetic field, which causes some particles to encounter the shock front repeatedly and to gain energy during each crossing. Currently STEREO and near-Earth spacecraft are providing valuable multi-point information on how SEP properties, such as composition and energy spectra, vary in longitude. Initial results have shown that longitude distributions of large CME-associated SEP events are much wider than reported in earlier studies. These findings have important consequences on SEP modeling. It is important to extend the present models into two or three spatial coordinates to properly take into account the effects of coronal and interplanetary (IP) magnetic geometry, and evolution of the CME and the associated shock, on the acceleration and transport of SEPs. We give a status update on CORSAIR project, which is an effort to develop a new self-consistent (total energy conserving) DSA acceleration model that is capable of modeling energetic particle acceleration and transport in IP space in two or three spatial dimensions. In the new model particles are propagated using guiding center approximation. Waves are modeled as (Lagrangian) wave packets propagating (anti)parallel to ambient magnetic field. Diffusion coefficients related to scattering from the waves are calculated using quasilinear theory. State of ambient plasma is obtained from an MHD simulation or by using idealized analytic models. CORSAIR is an extension to our earlier efforts to model the effects of magnetic geometry on SEP acceleration (Sandroos & Vainio, 2007,2009).

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. Energetic efficiency of infant formulae: a review.

    PubMed

    Fleddermann, Manja; Demmelmair, Hans; Koletzko, Berthold

    2014-01-01

    Breast-fed and formula-fed infants differ in terms of nutrient intake, growth, and metabolic and endocrine responses. The energetic efficiency, i.e. the weight or length gain per 100 kcal of energy intake, of breast-fed infants is about 11% higher than the energetic efficiency of formula-fed infants. Only limited data is available on the influence of formula composition on the energetic efficiency of infant formulae. We conducted a review of controlled trials to identify the impact of the macronutrient composition of infant formulae on energetic efficiency. An electronic literature search was conducted in February 2014. Intervention trials that investigated the effect of an infant formula with a modified macronutrient composition and reported the weight, length, and nutritional intake of apparently healthy, term, fully formula-fed infants with a normal weight were included. Thirteen trials met the inclusion criteria. The results showed no effect of the total content of energy, carbohydrate, protein, or fat on energetic efficiency. In contrast, small increasing effects of higher glycemic carbohydrates on energetic efficiency were identified. Improved fat absorption via the use of palmitic acid at the sn-2 ester position of triacylglycerol increased the energetic efficiency by 11%. The quality of formula protein, specifically an increased whey-to-casein ratio, an increased α-lactalbumin content, or a higher tryptophan content increased the energetic efficiency by about 13%. We conclude that fat absorption and protein quality have the potential to modulate energetic efficiency and may contribute to the observed differences in growth and metabolism between breast-fed and formula-fed infants.

  14. 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.

  15. 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

  16. Imaging heliospheric shocks using energetic neutral atoms

    NASA Technical Reports Server (NTRS)

    Roelof, E. C.

    1992-01-01

    In order to explore the feasibility of energetic neutral atom (ENA) imaging of shock-associated energetic proton populations in the heliosphere, computer-simulated ENA images have been generated based on Voyager 1/2 energetic ion measurements. One favorable vantage point for ENA shock imaging is from the Cassini spacecraft's orbit around Saturn at 10 AU. These images, calibrated relative to the measured shock-associated proton fluxes, yield an absolute estimate of ENA fluxes which indicates that useful heliospheric ENA imaging can be accomplished with present technology.

  17. 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.

  18. Paleo Mars energetic particle precipitation

    NASA Astrophysics Data System (ADS)

    Alho, Markku; McKenna-Lawlor, Susan; Kallio, Esa

    2015-12-01

    A young Mars may well have possessed a global dipolar magnetic field that provided protection for the planet's atmosphere from the space weather environment. Against this background, we study in the present paper the effect of various dipole magnetic fields on particle precipitation (range 10 keV-4.5 MeV) on the upper Martian atmosphere as the magnetosphere gradually declined to become an induced magnetosphere. We utilized a hybrid plasma model to provide, in a self-consistent fashion, simulations (that included ion-kinetic effects) of the interaction between the Martian obstacle (magnetized or otherwise) and the solar wind. Besides the intrinsic dipole, with field strengths of ~100 nT and below, we assume modern solar and atmospheric parameters to examine the effect of the single variable, that is the dipole strength. We thereby investigated the precipitation of solar energetic particles on the upper atmosphere of the planet in circumstances characterized by the evolution of a diminishing Martian dynamo that initially generated an ideal dipolar field. It is demonstrated that an assumed Martian dipole would have provided, in the energy range investigated, significant shielding against proton impingement and that the interaction between the solar wind and the assumed Martian magnetic dipole would have been responsible for generating the shielding effect identified.

  19. 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.

  20. 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.

  1. Energetics of abiogenic chemical systems.

    PubMed

    Buvet, R; Stoetzel, F

    1975-07-01

    After recalling the energy consumption necessary to produce the main categories of biochemicals from the equilibrium state of an hydrogenated atmosphere, the primary processes by which energy can be absorbed in a mixture of methane and ammonia in the presence of aqueous solutions are defined. From the very first excitations, unsaturated products are formed. In fact, this formation of atmospheric precursors is the primordial state of a photochemically induced redox dismutation. The evolution of solutions obtained from the dissolution of these atmospheric precursors in aqueous media is described from experimental data and analysed on energetic grounds. The relaxation of energy accumulated in such solutions involves non enzymic archetypes of the main categories of metabolic processes; in particular some unsaturated atmospheric precursors must be looked upon as primordial representatives of biochemical dehydrating agents. Absorption of light energy in the solutions obtained from the evolution of precursors happens near the visible range and should govern their further evolution. In fact, biochemicals which were previously detected as products of model experiments are not present in these solutions. They were probably obtained during analytical procedures from products of the evolution of atmospheric precursors which are unstable against decreases of pH. Cyclic autocatalytic effects must be involved in the further evolution of the models of the first aqueous solutions. Their possible role in the appearance of optical dissymmetry is emphasized on theoretical grounds.

  2. ENERGETIC FERMI/LAT GRB 100414A: ENERGETIC AND CORRELATIONS

    SciTech Connect

    Urata, Yuji; Tsai, Patrick P.; Huang, Kuiyun; Yamaoka, Kazutaka; Tashiro, Makoto S.

    2012-03-20

    This study presents multi-wavelength observational results for energetic GRB 100414A with GeV photons. The prompt spectral fitting using Suzaku/WAM data yielded spectral peak energies of E{sup src}{sub peak} of 1458.7{sup +132.6}{sub -106.6} keV and E{sub iso} of 34.5{sup +2.0}{sub -1.8} Multiplication-Sign 10{sup 52} erg with z = 1.368. The optical afterglow light curves between 3 and 7 days were effectively fitted according to a simple power law with a temporal index of {alpha} = -2.6 {+-} 0.1. The joint light curve with earlier Swift/UVOT observations yields a temporal break at 2.3 {+-} 0.2 days. This was the first Fermi/LAT detected event that demonstrated the clear temporal break in the optical afterglow. The jet opening angle derived from this temporal break was 5.{sup 0}8, consistent with those of other well-observed long gamma-ray bursts (GRBs). The multi-wavelength analyses in this study showed that GRB 100414A follows E{sup src}{sub peak}-E{sub iso} and E{sup src}{sub peak}-E{sub {gamma}} correlations. The late afterglow revealed a flatter evolution with significant excesses at 27.2 days. The most straightforward explanation for the excess is that GRB 100414A was accompanied by a contemporaneous supernova. The model light curve based on other GRB-SN events is marginally consistent with that of the observed light curve.

  3. Modeling Neutral Hydrogen in the Heliospheric Interface

    NASA Astrophysics Data System (ADS)

    Heerikhuisen, Jacob; Pogorelov, Nikolai; Brand, Pontus

    2010-03-01

    Observational data of neutral atoms provides us with a 1 AU picture of the neutral atom flux in the heliosphere. The large mean free paths of neutrals allow us to infer properties of their distant source, as well as the properties of the intermediary medium. Energetic neutral hydrogen, for example, travels on almost straight trajectories, so that the particles observed coming from a particular direction were created from energetic protons along that line of sight. Similarly, low energy interstellar atoms are attenuated and deflected as they enter the heliosphere, and this deflection tells us something about the structure of the heliospheric interface. Of course, to infer quantitative features of the global heliosphere from neutral atom observations at 1 AU, we need accurate models that capture the 3D structure of the heliosphere. In this paper we present our MHD-plasma/kinetic-neutral model of the heliospheric interface that uses a Lorentzian distribution function to approximate a suprathermal tail on the solar wind proton distribution due to pick-up ions. We investigate the effect the k parameter of the Lorentzian function has on the overall solution and the flux of energetic neutral atoms (ENAs). ENA fluxes are also compared to ``pre-IBEX'' spacecraft data.

  4. 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.

  5. 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.

  6. First-Principles Simulation of Adhesion at Metal-Ceramic Interfaces

    NASA Astrophysics Data System (ADS)

    Hector, , Jr.; Siegel, Donald; Adams, James

    2000-03-01

    One of the fundamental goals of surface science and tribology is to predict the structure, energetics, and bonding at metal-ceramic interfaces. These structures play an increasingly important role in applications ranging from interconnects in microelectronics to protective coatings in the metalworking industry. Although the structure of such interfaces is often complex, much can be learned from a simplified model in which a metal surface is placed in coherent contact with a ceramic substrate. Until recently, there have been no successful theoretical models capable of accurately predicting the energetics of the adhesive bonding at such an interface. With the advent of first principles calculations based on Density Functional Theory(DFT), such predictions are now becoming possible. Along these lines, we discuss our recent DFT-LDA/GGA calculations of the equilibrium structure, bonding, and adhesion energetics of two technologically relevant interfaces: Al(111)/α-Al_2O_3(0001) and Al(111)/WC(0001).

  7. Beta-to-alpha transformation in polycrystalline SiC. II - Interfacial energetics

    NASA Technical Reports Server (NTRS)

    Mitchell, T. E.; Ogbuji, L. U.; Heuer, A. H.

    1978-01-01

    A phenomenological analysis of the energetics of the beta-to-alpha transformation in polycrystalline SiC is presented. It is found that the extreme anisotropy of the interfacial energy between alpha- and beta-SiC can account for the rapid growth of composite grains into the beta matrix during conventional sintering or hot-pressing processes. The composite grains consist of alpha-SiC plates 'sandwiched' between well-oriented and recrystallized beta-SiC 'envelopes'. The interfaces involving the 111 plane type of beta and (0001) of alpha have much lower energies than random beta/alpha interfaces.

  8. 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.

  9. 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.

  10. 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.

  11. The projectile-wall interface in rail launchers

    NASA Astrophysics Data System (ADS)

    Thio, Y. C.; Huerta, M. A.; Boynton, G. C.; Tidman, D. A.; Wang, S. Y.; Winsor, N. K.

    1993-01-01

    At sufficiently high velocity, an energetic gaseous interface is formed between the projectile and the gun wall. We analyze the flow in this interface in the regime of moderately high velocity. The effect of this gaseous interface is to push the gun wall radially outward and shrink the projectile radially inward. Our studies show that significant plasma blow-by can be expected in most experimental railguns in which organic polymers are used as insulators. Since plasma leakage may result in the reduction of propulsion pressure and possibly induce the separation of the primary, the results point to the importance of having sufficiently stiff barrels and structurally stiff but 'ballistically compliant' projectile designs.

  12. 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.

  13. 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).

  14. 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.

  15. Sol-gel processing of energetic materials

    SciTech Connect

    Tillotson, T.M.; Hrubesh, L.H.; Fox, G.L.; Simpson, R.L.; Lee, R.W.; Swansiger, R.W.; Simpson, L.R.

    1997-08-18

    As part of a new materials effort, we are exploring the use of sol- gel chemistry to manufacture energetic materials. Traditional manufacturing of energetic materials involves processing of granular solids. One application is the production of detonators where powders of energetic material and a binder are typically mixed and compacted at high pressure to make pellets. Performance properties are strongly dependent on particle size distribution, surface area of its constituents, homogeneity of the mix, and void volume. The goal is to produce detonators with fast energy release rate the are insensitive to unintended initiation. In this paper, we report results of our early work in this field of research, including the preparation of detonators from xerogel molding powders and aerogels, comparing the material properties with present state-of-the-art technology.

  16. 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).

  17. 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.

  18. Reapplication of energetic materials at fuels

    SciTech Connect

    Baxter, L.; Sinquefield, S.; Huey, S.; Lipkin, J.; Shah, D.; Ross, J.; Sclippa, G.; Davis, K.

    1995-05-01

    This investigation addresses the combustion-related aspects of the reapplication of energetic materials as fuels in boilers as an economically viable and environmentally acceptable use of excess energetic materials. The economics of this approach indicate that the revenues from power generation and chemical recovery approximately equal the costs of boiler modification and changes in operation. The primary tradeoff is the cost of desensitizing the fuels against the cost of open burn/open detonation (OB/OD) or other disposal techniques. Two principal combustion-related obstacles to the use of energetic-material-derived fuels are NO{sub x} generation and the behavior of metals. NO{sub x} measurements obtained in this investigation indicate that the nitrated components (nitrocellulose, nitroglycerin, etc.) of energetic materials decompose with NO{sub x} as the primary product. This can lead to high uncontrolled NO{sub x} levels (as high as 2600 ppM on a 3% O{sub 2} basis for a 5% blend of energetic material in the fuel). NO{sub x} levels are sensitive to local stoichiometry and temperature. The observed trends resemble those common during the combustion of other nitrogen containing fuels. Implications for NO{sub x} control strategies are discussed. The behavior of inorganic components in energetic materials tested in this investigation could lead to boiler maintenance problems such as deposition, grate failure, and bed agglomeration. The root cause of the problem is the potentially extreme temperature generated during metal combustion. Implications for furnace selection and operation are discussed.

  19. Quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET)4HgBr4(C6H4Cl2)

    NASA Astrophysics Data System (ADS)

    Lyubovskii, R. B.; Pesotskii, S. I.; Shilov, G. V.; Zhilyaeva, E. I.; Flakina, A. M.; Lyubovskaya, R. N.

    2016-08-01

    The behavior of de Haas-van Alfven (dHvA) and Shubnikov-de Haas (ShdH) quantum oscillations in dual-layered quasi-two-dimensional organic metal (ET)4HgBr4(C6H4Cl2) is investigated. The oscillation spectra qualitatively agree with theoretical calculations of the bandgap structure. The angular dependence of the oscillation amplitude of magnetoresistance contains "spin zeros"; the analysis of the location of these zeros allows one to evaluate the electron-phonon interaction constant: λ ≈ 0.2.

  20. Energetic Oxygen in the Terestrial Exosphere

    NASA Astrophysics Data System (ADS)

    Shizgal, B.; Sospedra-Alfonso, R.; Yau, A.

    2012-04-01

    There are numerous processes in the terrestrial atmosphere which involve the production of translationally energetic atoms with energies considerably above thermal energies. These "hot" atoms can play an important role in enhanced reaction rates, nonthermal emissions, and the enhanced nonthermal escape of atmospheric species. Such nonthermal escape mechanisms play an important role in the evolution of the atmosphere of Earth [1]. The dissociative recombination of O2+, that is O2+ + e-→ O* + O*, produces energetic oxygen atoms in the terrestrial exosphere in a range of altitudes where the production of hot atoms is greatest and a substantial coronae of hot oxygen is expected [2, 3]. These energetic oxygen atoms can transfer their energy to H and D and create additional energetic populations of H and D. The existence of extended corona of energetic H and O in the atmospheres of the terrestrial planets is now well established both from theoretical models and observations. There is a continued interest in a better understanding of the physics of the processes that produce and maintain these steady state nonequilibrium distributions. In the rarefied atmosphere of the high altitude portions of these planetary atmospheres, collisional relaxation of nonthermal distributions is slow. The extent of the departure from equilibrium distributions depends on the strengths of the processes that perturb the distributions from equilibrium and the collisional relaxation processes that restore the distributions to Maxwellians. If there is a significant population of energetic atoms with speeds in excess of the escape speed of the planet, these extended coronae can have an important effect on the rate of loss of atmospheric species, both directly and indirectly. This paper examines the altitude dependence of the nonequilibrium energetic oxygen distribution function with a Boltzmann equation driven by the energetic oxygen source term owing to dissociative recombination. The solution

  1. 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

  2. Measurements of Aluminum Combustion in Energetic Formulations

    NASA Astrophysics Data System (ADS)

    Miller, J. Scott; Pangilinan, G. I.

    2004-07-01

    Aluminum combustion plays an important role in tailoring energy release rates of energetic materials. The intimate mixing between Al and oxidizers from the formulation itself or from the surrounding atmosphere is key to effecting combustion. We infer combustion processes in detonated aluminized energetic formulations PBXIH-135 and PBXN-111 in air using time-resolved spectroscopy. We recorded spectral emissions from Al and AlO emanating from the surface of each sample for up to 100 μs. We observe differences in metal combustion between the oxidizer deficient PBXIH-135 and the oxygen-rich PBXN-111. We will discuss phases of combustion that each formulation exhibits and possible reaction processes.

  3. Li intercalation at graphene/hexagonal boron nitride interfaces

    NASA Astrophysics Data System (ADS)

    Shirodkar, Sharmila N.; Kaxiras, Efthimios

    2016-06-01

    Intercalation of Li in graphite and other layered structures is of interest for highly efficient energy storage devices. In this paper, we determine the extent to which Li intercalates at the different interfaces formed between graphene (G) and hexagonal boron nitride (hBN) heterostructures. We use ab initio calculations to explore in detail the position of the dispersed Li atoms, changes in the structure at the interfaces, energetic stability of the configurations, and the corresponding electronic structure with varying concentrations of the intercalant. We trace the origin of the energetic stability and maximum concentration of Li that intercalates into various layered structures to the ability of the interface to accept electrons. Our calculations indicate that Li intercalates easiest at G/G interfaces, followed by interfaces between G/hBN, whereas Li cannot intercalate in hBN/hBN interfaces. Our results provide a framework for the design of experimental setups with optimal Li intercalation and reveal the implications of intercalation on the dielectric properties of these materials and their possible application in plasmonics.

  4. 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".

  5. 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.

  6. 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...

  7. 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.

  8. Major minority: energetic particles in fusion plasmas

    NASA Astrophysics Data System (ADS)

    Breizman, B. N.; Sharapov, S. E.

    2011-05-01

    This paper describes advances made in the field of energetic-particle physics since the topical review of Alfvén eigenmode observations in toroidal plasmas (Wong 1999 Plasma Phys. Control. Fusion 41 R1-R56). The development of plasma confinement scenarios with reversed magnetic shear and significant population of energetic particles, and the development of novel energetic-particle diagnostics were the main milestones in the past decade, and these are the main experimental subjects of this review. The theory of Alfvén cascade eigenmodes in reversed-shear tokamaks and its use in magnetohydrodynamic spectroscopy are presented. Based on experimental observations and nonlinear theory of energetic-particle instabilities in the near-threshold regime, the frequency-sweeping events for spontaneously formed phase-space holes and clumps and the evolution of the fishbone oscillations are described. The multi-mode scenarios of enhanced particle transport are discussed and a brief summary is given of several engaging research topics that are beyond the authors' direct involvement.

  9. 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…

  10. 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.

  11. Global Energetics of Large Solar Eruptive Events

    NASA Technical Reports Server (NTRS)

    Dennis, Brian R.; Chamberlin, P. C.; Emslie, A. G.; Mewaldt, R. A.; Moore, C. S.; Share, G. H.; Shih, A. Y.; Vourlidas, A.; Welsch, B.

    2012-01-01

    We have evaluated the energetics of the larger solar eruptive events recorded with a variety of spacecraft instruments between February 2002 and December 2006. All of the energetically important components of the flares and of the accompanying coronal mass ejections and solar energetic particles have been evaluated as accurately as the observations allow. These components include the following : (1) the total energy in the high temperature plasma determined from the RHESSI thermal X-ray observations; (2) the total energies in accelerated electrons above 20 keV and ions above 1 MeV from RHESSI hard X-ray and gamma-ray observations, respectively; (3) the potential and kinetic energies of the CME from SOHO/LASCO observations; (4) the solar energetic particle (SEP) energy estimates from in situ measurements on ACE, GOES, and SOHO; (5) the total radiated energy from the SORCEITSI measurements where available, and otherwise from the Flare Irradiance Spectral Model (FISM). The results are assimilated and discussed relative to the probable amount of non potential magnetic energy estimated to be available in the flaring active regions from MDI line-of-sight magnetograms.

  12. 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.

  13. 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.

  14. 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.

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

    SciTech Connect

    Rustwick, Bryce A.

    2005-01-01

    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

  16. 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.

  17. Energetic ions upstream of the earth's bow shock during an energetic storm particle event

    NASA Technical Reports Server (NTRS)

    Scholer, M.; Ipavich, F. M.

    1983-01-01

    Simultaneous observations of low-energy protons and alpha particles from ISEE 3 far upstream and from ISEE 1 close to the earth's bow shock during the passage of an interplanetary shock wave with its associated energetic storm particles are presented. Intensities, spectra, and anisotropies of the energetic storm particles are modified due to the interaction of these particles with the earth's bow shock. An intensity spike observed at ISEE 1 during the passage of the interplanetary shock is interpreted as being due to postacceleration of energetic storm particles at the bow shock by the first-order Fermi mechanism. The spikes observed at ISEE 1 after the passage of the interplanetary shock are most probably due to reflection of the energetic storm particles at the bow shock.

  18. 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.

  19. Probing the energetics of proteins through structural perturbation: sites of regulatory energy in human hemoglobin.

    PubMed Central

    Pettigrew, D W; Romeo, P H; Tsapis, A; Thillet, J; Smith, M L; Turner, B W; Ackers, G K

    1982-01-01

    The sites of energy transduction within the human hemoglobin molecule for the regulation of oxygen affinity have been determined by an extensive study of the molecule's energetic response to structural alteration at individual amino acid residues. For 22 mutant and chemically modified hemoglobins we have determined the total free energy used by the tetrameric molecule for alteration of oxygen affinity at the four binding steps. The results imply that the regulation of oxygen binding affinity is due to energy changes which are mostly localized at the alpha 1 beta 2 interface. They also indicate a high degree of "internal cooperativity" within this contact region--i.e., the structural perturbations at individual residue sites are energetically coupled. Cooperativity in ligand binding is thus a reflection of cooperativity at a deeper level--that of the protein-protein interactions within the alpha 1 beta 2 interfacial domain. Images PMID:6952235

  20. Immersed interface methods for moving interface problems

    NASA Astrophysics Data System (ADS)

    Li, Zhilin

    1997-05-01

    A second order difference method is developed for the nonlinear moving interface problem of the form u_t + λ uu_x = ( {β u_x } )_x - f( {x,t} ),x in [ {0,α } ) \\cup ( {α ,1} ]} }. {d}{α}/{dt} = w( {t,α ;u,u_x } ), , where α (t) is the moving interface. The coefficient β(x,t) and the source term f(x,t) can be discontinuous across α (t) and moreover, f(x,t) may have a delta or/and delta-prime function singularity there. As a result, although the equation is parabolic, the solution u and its derivatives may be discontinuous across α (t). Two typical interface conditions are considered. One condition occurs in Stefan-like problems in which the solution is known on the interface. A new stable interpolation strategy is proposed. The other type occurs in a one-dimensional model of Peskin's immersed boundary method in which only jump conditions are given across the interface. The Crank-Nicolson difference scheme with modifications near the interface is used to solve for the solution u(x,t) and the interface α (t) simultaneously. Several numerical examples, including models of ice-melting and glaciation, are presented. Second order accuracy on uniform grids is confirmed both for the solution and the position of the interface.

  1. 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

  2. Energetic Coupling between Ligand Binding and Dimerization in Escherichia coli Phosphoglycerate Mutase.

    PubMed

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

    2016-03-29

    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 of an exceptional quality. The homodimeric Escherichia 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. We found that, 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.

  3. 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

  4. 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.

  5. 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

  6. 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.

  7. 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.

  8. On the sources of solar energetic particles

    NASA Technical Reports Server (NTRS)

    Cane, H. V; Reames, D. V.; Vonrosenvinge, T. T.

    1987-01-01

    We have examined the time histories of energetic (greater than 1 MeV) particles as detected by instruments in the earth's neighborhood over an 18 year period commencing mid-1967. The majority (greater than 75 percent) of the events extending to proton energies above 20 MeV have their origins in a flare event which includes H-alpha emission, soft x rays, and metric radio bursts of Type 2 and/or Type 4. We have assembled a list of 241 events for which the sources are thus well identified. Two further particle increases have been associated with nonflare events. Of the 82 events originating in regions to the east of central meridian, the sources of 68 (83 percent) were sufficiently energetic that they also generated interplanetary shocks detected at earth. We suggest that shocks are responsible for particles being detectable from source regions not magnetically connected to earth.

  9. 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

  10. 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.

  11. Probing the heliosphere with energetic hydrogen atoms

    NASA Technical Reports Server (NTRS)

    Hsieh, K. C.; Shih, K. L.; Jokipii, J. R.; Grzedzielski, S.

    1992-01-01

    The idea of using energetic neutral atoms (ENAs), produced by charge exchange between energetic ions and ambient neutral atoms, as a diagnostic tool to investigate planetary magnetospheres from a distance has been extended to the investigation of the heliosphere. The paper explores what one can reasonably expect of the heliospheric ENA (HSENA) and what criteria would be imposed on HSENA instruments by concentrating on 10-10 exp 3 keV protons in quiet-time interplanetary space, solar-flare events, corotating interaction regions, and populations have distinctive signatures and that the detection of these particles can reveal energy spatial and propagation of ions in 3D interplanetary space, including the solar-wind termination shock. Such breadth of information could not be gained by in situ means.

  12. 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.

  13. 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.

  14. The composition of corotating energetic particle streams

    NASA Technical Reports Server (NTRS)

    Mcguire, R. E.; Von Renvinge, T. T.; Mcdonald, F. B.

    1978-01-01

    The relative abundances of 1.5 to 23 MeV/nucleon ions in corotating nucleon streams were compared with ion abundances in particle events associated with solar flares and with solar and solar wind abundances. He/O and C/O ratios were found to be a factor of the order two to three times greater in corotating streams than in flare associated events. The distribution of H/He ratios in corotating streams was found to be much narrower and of lower average value than in flare associated events. H/He in corotating energetic particle streams compared favorably both in lack of variability and numerical value to H/He in high speed solar wind plasma streams. This comparison suggested that the source population for the corotating energetic particles was the solar wind.

  15. Energetics and structures of fullerene crop circles

    NASA Astrophysics Data System (ADS)

    Han, Jie

    1998-01-01

    The energetics and structures of carbon tori are studied using molecular simulation. They include circular and polygonal tori, formed by bending ( n, n) tubes and by joining ( n, n) and ( n+1, n-1) or ( n+2, n-2) tubes with pentagon-heptagon defects, respectively, in which n=5, 8 and 10. The strain energy of a circular and polygonal torus decreases by D-2 and D-1, respectively, where D is the torus diameter. Comparisons in average and local maximum strain suggest that defect-free circular tori are more energetically stable and kinetically accessible than defective polygonal tori. This confirms the hypothesis that circular tori are the predominant constituents of the observed fullerene crop circles in laser-grown single-wall carbon nanotubes.

  16. HAWC and Solar Energetic Transient Events

    NASA Astrophysics Data System (ADS)

    Lara, A.; Ryan, J. M.

    2013-12-01

    The High Altitude Water Cherenkov (HAWC) observatory is being constructed at the volcano Sierra Negra (4100 m a.s.l.) in Mexico. HAWC's primary purpose is the study of both galactic and extra-galactic sources of high energy gamma rays. The HAWC instrument will consist of 300 large water Cherenkov detectors whose counting rate will be sensitive to cosmic rays with energies above the geomagnetic cutoff of the site ( ˜ 8 GV). In particular, HAWC will detect solar energetic particles known as Ground Level Enhancements (GLEs), and the effect of Coronal Mass Ejections on the galactic cosmic rays, known as Forbush Decreases (FDs). The Milagro experiment, the HAWC predecessor, successfully observed GLEs and the HAWC engineering array "VAMOS" already observed a FD. HAWC will be sensitive to γ rays and neutrons produced during large solar flares. In this work, we present the instrument and discuss its capability to observe solar energetic events. i. e., flares and CMEs.

  17. Exploratory analysis of Spanish energetic mining accidents.

    PubMed

    Sanmiquel, Lluís; Freijo, Modesto; Rossell, Josep M

    2012-01-01

    Using data on work accidents and annual mining statistics, the paper studies work-related accidents in the Spanish energetic mining sector in 1999-2008. The following 3 parameters are considered: age, experience and size of the mine (in number of workers) where the accident took place. The main objective of this paper is to show the relationship between different accident indicators: risk index (as an expression of the incidence), average duration index for the age and size of the mine variables (as a measure of the seriousness of an accident), and the gravity index for the various sizes of mines (which measures the seriousness of an accident, too). The conclusions of this study could be useful to develop suitable prevention policies that would contribute towards a decrease in work-related accidents in the Spanish energetic mining industry. PMID:22721539

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. Energetic additive manufacturing process with feed wire

    DOEpatents

    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.

  3. 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.

  4. 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

  5. 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.

  6. 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.

  7. The energetic alpha particle transport method EATM

    SciTech Connect

    Kirkpatrick, R.C.

    1998-02-01

    The EATM method is an evolving attempt to find an efficient method of treating the transport of energetic charged particles in a dynamic magnetized (MHD) plasma for which the mean free path of the particles and the Larmor radius may be long compared to the gradient lengths in the plasma. The intent is to span the range of parameter space with the efficiency and accuracy thought necessary for experimental analysis and design of magnetized fusion targets.

  8. Composition of energetic particles from solar flares.

    PubMed

    Garrard, T L; Stone, E C

    1994-10-01

    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.

  9. 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.

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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

  15. 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.

  16. 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.

  17. Nonadditive Compositional Curvature Energetics of Lipid Bilayers

    NASA Astrophysics Data System (ADS)

    Sodt, A. J.; Venable, R. M.; Lyman, E.; Pastor, R. W.

    2016-09-01

    The unique properties of the individual lipids that compose biological membranes together determine the energetics of the surface. The energetics of the surface, in turn, govern the formation of membrane structures and membrane reshaping processes, and thus they will underlie cellular-scale models of viral fusion, vesicle-dependent transport, and lateral organization relevant to signaling. The spontaneous curvature, to the best of our knowledge, is always assumed to be additive. We describe observations from simulations of unexpected nonadditive compositional curvature energetics of two lipids essential to the plasma membrane: sphingomyelin and cholesterol. A model is developed that connects molecular interactions to curvature stress, and which explains the role of local composition. Cholesterol is shown to lower the number of effective Kuhn segments of saturated acyl chains, reducing lateral pressure below the neutral surface of bending and favoring positive curvature. The effect is not observed for unsaturated (flexible) acyl chains. Likewise, hydrogen bonding between sphingomyelin lipids leads to positive curvature, but only at sufficient concentration, below which the lipid prefers negative curvature.

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

    SciTech Connect

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

    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.

  19. Theory of the energetics and nonclassical nucleation for the tetragonal-monoclinic transformation of zirconia

    SciTech Connect

    Chan, S.K.

    1986-09-01

    The energetics of the martensitic tetragonal-monoclinic transformation of zirconia are analyzed in terms of symmetry-adapted strains and elastic moduli. A nonclassical theory of nucleation is developed based on a solution of the time-dependent Ginzburg-Landau equation in conjunction with a Cahn-Hilliard type free energy functional for a shape-invariant diffused interface profile between the transformed and the parent phases. The critical radius of nucleation is derived as a function of temperature and applied stresses. The physical implications of the results towards both homogeneous and heterogeneous nucleations are discussed.

  20. Energetic neutral atoms: Imaging the magnetospheric ring current

    NASA Technical Reports Server (NTRS)

    Roelof, Edmond C.

    1990-01-01

    Magnetospheric imaging is a new discipline whose goal is to make pictures of the energetic particle populations trapped in the magnetic field of Earth (or any other planet). This project demonstrated the technical feasibility and scientific validity of magnetospheric imaging using energetic neutral atoms (ENA) with the publication and quantitative analysis of the first ENA images ever obtained from space. ENA's are produced when singly-charged energetic (approximately 100 keV) trapped ions make an atomic collision with the neutral hydrogen atoms which boil of the top of the Earth's atmosphere. These hydrogen atoms suffuse the entire trapping volume of the magnetosphere. The energetic ion steals the electron from the atmospheric hydrogen, so the energetic ion is transformed into an energetic neutral atom with a velocity of several thousands of kilometers/second. Moreover, the new-born ENA preserves the velocity that the trapped ion had at the time of the collision. Consequently, any population of energetic ions emits ENA's.

  1. 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

  2. Exciton transport and dissociation at organic interfaces

    NASA Astrophysics Data System (ADS)

    Beljonne, David

    2011-03-01

    This paper focuses on modeling studies of exciton transport and dissociation at organic interfaces and includes three parts: 1) Experiments have shown that the values of exciton diffusion length LD in conjugated polymers (CPs) are rather low, in the range of 5-10 nm, apparently regardless of their chemical structure and solid-state packing. In contrast, larger LD values have been reported in molecular materials that are chemically more well-defined than CPs. Here we demonstrate that energetic disorder alone reduces the exciton diffusion length more than one order of magnitude, from values typically encountered in molecules (> 50nm) to values actually measured in CPs (<10nm). 2) A number of organic crystals show anisotropic excitonic couplings, with weak interlayer interactions between molecules that are more strongly coupled within the layers. The resulting energy carriers are intra-layer 2D excitons that diffuse along the interlayer direction. We model this analytically for infinite layers and using quantum-chemical calculations of the electronic couplings for anthracene clusters. We show that the exciton hopping rates and diffusion lengths depend in a subtle manner on the size and shape of the interacting aggregates, temperature and the presence of energetic disorder. 3) The electronic structure at organic/organic interfaces plays a key role, among others, in defining the quantum efficiency of organic-based photovoltaic cells. Here, we perform quantum-chemical and microelectrostatic calculations on molecular aggregates of various sizes and shapes to characterize the interfacial dipole moment at pentacene/C60 heterojunctions. The results show that the interfacial dipole mostly originates in polarization effects due to the asymmetry in the multipolar expansion of the electronic density distribution between the interacting molecules. We will discuss how the quadrupoles on the pentacene molecules produce direct electrostatic interactions with charge carriers and how

  3. 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

  4. 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.

  5. 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.

  6. Micro bubbles at interfaces

    NASA Astrophysics Data System (ADS)

    Keshavarzi, Gholamreza; Wang, Anna; Barber, Tracie; Manoharan, Vinothan

    2014-03-01

    The behaviour of a small micron sized bubbles close to an interface is vital to various interface interaction applications in several industries. Previous studies have focused on understanding the behaviour of large millimetric bubbles reaching an interface. Some of these millimetric bubbles are shown to bounce back, while others penetrate and burst on the interface resulting in possible small micron sized bubbles. However, small micron sized bubble may act different. It has been observed that small microbubbles can act as if they are stabilized at the interface without merging to the fluid over the interface. The dynamics of the microbubble adsorption close to an interface has yet to be well understood.In this study we used digital holography microscopy to explore detailed information on the behaviour of the air microbubble at the interface. This study investigates the position and shape of a microbubble with respect to the interface. The dynamic behavior close to the interface along with where the small microbubble is positioned near an interface will help us in understanding the probability of penetration and merging back to the fluid on top.

  7. 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.

  8. 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.

  9. 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

  10. 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.

  11. 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

  12. 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.

  13. 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.

  14. 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.

  15. 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.

  16. The MAVEN Solar Energetic Particle instrument

    NASA Astrophysics Data System (ADS)

    Dunn, P.; Lillis, R. J.; Larson, D. E.; Lin, R. P.; Jakosky, B. M.

    2012-12-01

    The Solar Energetic Particle (SEP) instrument will travel to Mars onboard the Mars Atmosphere and Volatile EvolutioN (MAVEN) Mission, launching in November 2013. In order for MAVEN to determine the role that loss of volatiles to space has played through time, solar energy input to the Martian system must be characterized. An important (if infrequent and episodic) portion of this input is in the form of solar energetic particle (SEP) events. Understanding the relationship between SEP events and atmospheric escape is crucial to understanding the climate history of Mars. The SEP instrument will characterize such events at Mars by measuring energetic protons and electrons in the energy range absorbed by the upper atmosphere. SEP takes much of its heritage from the Solid State Telescope (SST) on the THEMIS mission, consisting of 2 orthogonal dual double-ended solid-state telescopes. Proton spectra from 25 keV to 6 MeV and electron spectra from 25 keV to 1 MeV will be collected in 4 look directions at 3 measurement cadences over MAVEN's 4.5-hour elliptical orbit: 32s far from the planet, 8s between 300 and 800 km altitude and 2s below 300 km. SEP will measure particle fluxes from ~20 to ~107 cm-2s-1sr-1. Here we present a full description of the instrument, as well as GEANT4 simulations of the detailed detector response.; Cross-section view of SEP sensor. Collimators are shown in yellow, baffles are in black. The sweep magnet (blue and brown) prevents electrons < 350 keV from reaching the detector stack (mounted on circuit board shown in green) from the left. A Kapton foil (not visible) prevent ions < 250 keV from reaching the stack from the right.

  17. 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.

  18. 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

  19. 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.

  20. The Energetic Particle Experiment (EPE) on THOR

    NASA Astrophysics Data System (ADS)

    Wimmer-Schweingruber, Robert; Vainio, Rami; Steinhagen, Jan

    2016-07-01

    THOR is one of the remaining three candidate mission for ESA's M4 launch in 2026. The Energetic Particle Experiment (EPE) will measure electrons (ions) from 20 keV (20 keV/nuc) to 700 keV (20 MeV) with excellent pitch-angle resolution and a very high cadence. This will allow us to understand how turbulence dissipates and how particles are energized in this process, thus shedding light on this ubiquitous astrophysical process. We will present the design and current status of EPE.

  1. 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.

  2. 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.

  3. Nonlinear electromagnetic interactions in energetic materials

    DOE PAGES

    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.

  4. 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.

  5. 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.

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. Benchtop energetics: Detection of hyperthermal species

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

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

  11. 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.

  12. Coarse-Grain Modeling of Energetic Materials

    NASA Astrophysics Data System (ADS)

    Brennan, John

    2015-06-01

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

  13. Energetics of calcium-rich dolomite

    SciTech Connect

    Chai, L.; Navrotsky, A.; Reeder, R.J.

    1995-03-01

    The enthalpy of formation of sedimentary Ca-rich dolomite has been determined by oxide melt calorimetry. The results show that Ca-rich dolomite is energetically different from well-ordered stoichiometric dolomite. The enthalpy of formation from calcite and magnesite becomes strongly more endothermic with increasing excess Ca content. This supports the idea that the substitution of Ca in the Mg layer of dolomite is energetically unfavorable. Ca-rich dolomite is unstable relative to well-ordered stoichiometric dolomite and calcite. The enthalpy behavior for excess Ca substitution in dolomite is different from that of Mg substitution in calcite; the enthalpy change is much larger in magnitude in dolomite and is more strongly dependent on composition. Differences in cation order as well as the presence of a modulated structure and low-symmetry domains in Ca-rich dolomite cannot be discerned from the enthalpy data. The findings confirm that the growth and occurrence of Ca-rich dolomite in sedimentary environments must be attributed to kinetic factors rather than to equilibrium. 47 refs., 2 figs., 1 tab.

  14. Energetics of calcium-rich dolomite

    NASA Astrophysics Data System (ADS)

    Chai, L.; Navrotsky, A.; Reeder, R. J.

    1995-03-01

    The enthalpy of formation of sedimentary Ca-rich dolomite has been determined by oxide melt calorimetry. The results show that Ca-rich dolomite is energetically different from well-ordered stoichiometric dolomite. The enthalpy of formation from calcite and magnesite becomes strongly more endothermic with increasing excess Ca content. This supports the idea that the substitution of Ca in the Mg layer of dolomite is energetically unfavorable. Ca-rich dolomite is unstable relative to well-ordered stoichiometric dolomite and calcite. The enthalpy behavior for excess Ca substitution in dolomite is different from that of Mg substitution in calcite; the enthalpy change is much larger in magnitude in dolomite and is more strongly dependent on composition. Differences in cation order as well as the presence of a modulated structure and low-symmetry domains in Ca-rich dolomite cannot be discerned from the enthalpy data. The findings confirm that the growth and occurrence of Ca-rich dolomite in sedimentary environments must be attributed to kinetic factors rather than to equilibrium.

  15. Energetic Constraints on Species Coexistence in Birds.

    PubMed

    Pigot, Alexander L; Tobias, Joseph A; Jetz, Walter

    2016-03-01

    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.

  16. Energetic particle effects on global MHD modes

    SciTech Connect

    Cheng, C.Z.

    1990-01-01

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

  17. Persistent Energetic Ion Outbursts from the Sun

    NASA Astrophysics Data System (ADS)

    Bucik, R.; Innes, D.; Mason, G. M.

    2014-12-01

    Following the greatest elongation in 2011, STEREO-A and -B, along with the near-Earth Solar Dynamics Observatory, have provided for the first time a view of the full solar surface. This allows continual tracking of solar active regions for their entire lifetime. With the advantage of a wide angular separation between the two STEREOs and the near-Earth Advanced Composition Explorer, we present the first report of multiple 3He-rich solar energetic particle (SEP) outbursts occurring in single active regions for relatively long time periods, lasting at least a quarter of a solar rotation. We identified several long-lasting 3He- or Fe-rich SEP sources with particle emissions successively observed at least on two of STEREO-B, ACE and STEREO-A spacecraft. Previous single spacecraft observations showed such energetic ion bursts over a limited time interval (about one day) presumably due to the loss of magnetic connection to the flare sites. These new observations reveal that the physical processes responsible for particle acceleration and escape from the Sun appear to be more continuous than previously thought. We discuss conditions in the solar sources which could lead to the reappearance of 3He-rich SEPs by comparing with the cases showing no such feature.

  18. Energetics of water permeation through fullerene membrane

    PubMed Central

    Isobe, Hiroyuki; Homma, Tatsuya; Nakamura, Eiichi

    2007-01-01

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

  19. Energetic analysis of fast magnetic switching

    NASA Astrophysics Data System (ADS)

    Stankiewicz, Andrzej

    2010-03-01

    The speed of magnetic switching is an important parameter for many devices, like magnetic random access memory (MRAM) cells, or hard drive disk/heads. Traditionally switching processes have been evaluated by solving the Landau-Lifshitz (LLG) equation numerically. Criteria of successful switching were defined in phase space (instantaneous magnetic moments), or required full system relaxation. This presentation introduces another look at the switching processes, based on an energetic approach. The main idea is to split the total transient energy of the system into two parts: Es, which includes switching stimulus only (e.g. external pulse field), and E0 - covering effects important for final state. Monitoring a single value E0, as LLG integration progresses, allows for detection of switched states. The method shows its full power in the case of magnetic nanostructures, which have a relatively simple energetic landscape of relaxed states (no magnetic domains), but may show very complex dynamical configurations. Another advantage is a possibility to account for finite temperature in switching criteria. The concept is illustrated by simulations of single spin and MRAM cell switching.

  20. Energetic photoelectrons and the polar rain

    NASA Technical Reports Server (NTRS)

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

    1990-01-01

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

  1. 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

  2. How do energetic ions damage metallic surfaces?

    DOE PAGES

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

    2015-02-20

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

  3. 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.

  4. Photomask repair using low-energetic electrons

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

  5. 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

  6. 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.

  7. Energetic Supernovae from the Cosmic Dawn

    NASA Astrophysics Data System (ADS)

    Chen, Ke-Jung

    2013-04-01

    We present the results from our 3D supernova simulations by using CASTRO, a new radiation-hydrodynamics code. The first generation of stars in the universe ended the cosmic dark age by shining the first light. But what was the fate of these stars? Based on the stellar evolution models, the fate of stars depends on their masses. Modern cosmological simulations suggest that the first stars could be very massive, with a typical mass scale over 50 solar masses. We look for the possible supernovae from the death of the first stars with masses over 50 solar masses. Besides the iron-core collapse supernovae, we find energetic thermonuclear supernovae, including two types of pair-instability supernovae and one type of general-relativity instability supernovae. Our models capture all explosive burning and follow the explosion until the shock breaks out from the stellar surface. We will discuss the energetics, nucleosynthesis, and possible observational signatures for these primordial supernovae that will be the prime targets for future large telescopes such as the James Webb Space Telescope (JWST).

  8. Synthesis of dense energetic materials. Annual report

    SciTech Connect

    Coon, C.

    1982-07-01

    The objective of the research described in the report is to synthesize new, dense, stable, highly energetic materials which will ultimately be a candidates for improved explosive and propellant formulations. Following strict guidelines pertaining to energy, density, stability, etc. Specific target molecules were chosen that appear to possess the improved properties desired for new energetic materials. This report summarizes research on the synthesis of these target materials from February 1981 to January 1982. The following compounds were synthesized: 5,5'-diamino-3,3'-bioxadiazole(1,2,4); 5,5'-bis(trichloromethyl)-3,3'-di(1,2,4-oxadiazole); 3,3'-bi(1,2,4-oxadiazole); ethylene tetranitramine (ETNA); N,N-bis(methoxymethyl)acetamide; N,N-bis(chloromethyl)acetamide; 7,8-dimethylglycoluril; Synthesis of 3,9-Di(t-butyl)-13,14-dimethyl-tetracyclo-(5,5,2,0/sup 5/ /sup 13/ 0/sup 11/ /sup 14/)-1,3,5,7,9,11-hexaaza-6,12-dioxotetradecane.

  9. Coupled energetic models for incompressible nematic elastomers

    NASA Astrophysics Data System (ADS)

    Rubiano, Andrea C.

    We investigate, through methods in the Calculus of Variations, mathematical energetic models for incompressible nematic elastomers. These models are based on the coupling between the neo-classical energy density, developed by Bladon, Warner and Terentjev as an extension of the rubber elasticity theory, with the classical energy density from the Landau-de Gennes theory for uniaxial nematic liquid crystals. A unit-length molecular director of the nematic elastomer and an incompressible deformation are the unknown functions, minimizers of the coupled energy. In contrast to previous mathematical work in this field, the molecular director is not assumed to be constant throughout the domain. After establishing a suitable generalized energetic model for working in Sobolev spaces, we prove lower semi-continuity of the energy. Considering generalized shear deformations motivated by physical experiments on thin film domains, we show the existence of minimizers, and keeping the restriction of incompressibility on the deformation and unit length of the director, we derive weak Euler Lagrange equations satisfied by the minimizers. Additionally, we consider the reduction of the model to a 2-dimensional one and deduce existence results for non-convex energy densities involving terms related to the constraint of volume's preservation . In this case we also find weak Euler-Lagrange equations and prove a partial regularity result.

  10. The energetic basis of acoustic communication.

    PubMed

    Gillooly, James F; Ophir, Alexander G

    2010-05-01

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

  11. Interface structure of co-rotating interaction regions

    NASA Technical Reports Server (NTRS)

    Ogilvie, K. W.; Roelof, E. C.; Forsyth, R. J.

    1997-01-01

    Plasma and particle observations on Ulysses during its passes through the southern and northern heliosphere have revealed that, inside the streamer belt, the large-scale structure of the quiet global heliosphere is dominated by corotating interaction regions (CIRs). Therefore, considerable attention is now being given to the internal plasma structure of CIRs, and in particular, to the manifestations of the stream interfaces that should mark their origins as interactions between low speed solar wind (in the low-latitude streamer belt) and high speed solar wind (from the equatorial extensions of the high latitude polar coronal holes). The SWICS and HI-SCALE experiments on Ulysses combine plasma and energetic particle measurements that are of considerable utility for such studies because, between them, they cover the proton energy range from 10 eV to 5 MeV. These measurements are used, together with magnetic field data, to study the remarkable series of CIRs that occurred during the period beginning July 1992 and the end of 1993 as Ulysses rose from the ecliptic to a southern heliographic latitude of 48 deg. The structure of the regions between the forward and reverse shocks were previously analyzed in terms of the proton specific entropy argument log that should exhibit a discontinuous jump at the stream interface. It was claimed that the stream interface, defined with respect to specific entropy, is also associated with a discontinuity in energetic proton intensities. The energetic particle data (greater than 60 keV) and how they were ordered with respect to interfaces and with respect to the magnetic field were examined.

  12. Modeling Neutral Hydrogen in the Heliospheric Interface

    NASA Astrophysics Data System (ADS)

    Heerikhuisen, J.; Pogorelov, N.

    2009-05-01

    Observational data of neutral atoms provides us with a 1 AU picture of the neutral atom flux in the heliosphere. The large mean free paths of neutrals allow us to infer properties of their distant source, as well as the properties of the intermediary medium. Energetic neutral hydrogen, for example, travels on almost straight trajectories, so that the particles observed coming from a particular direction were created from energetic protons along that line of sight. Similarly, low energy interstellar atoms are attenuated and deflected as they enter the heliosphere, and this deflection tells us something about the structure of the heliospheric interface. Of course, to infer quantitative features of the global heliosphere from neutral atom observations at 1 AU, we need accurate models that capture the 3D structure of the heliosphere. We will present an advanced MHD-neutral model of the heliosphere which is 3D, employs kinetic neutral Hydrogen, and incorporates a suprathermal tail on the solar wind proton distribution to approximate pick-up ions. We will demonstrate that with the help of such a model, we can test various hypotheses regarding the heliospheric boundary via forward modeling and comparison with data.

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

    SciTech Connect

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

    2012-02-27

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

  14. 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…

  15. Thread Pool Interface (TPI)

    2008-04-01

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

  16. The User Interface.

    ERIC Educational Resources Information Center

    Lindeman, Martha J.; And Others

    1989-01-01

    The first of three articles on the design of user interfaces for information retrieval systems discusses the need to examine types of display, prompting, and input as separate entities. The second examines the use of artificial intelligence in creating natural language interfaces, and the third outlines standards for case studies in human computer…

  17. Communication Interface for SAMS

    NASA Technical Reports Server (NTRS)

    Koffman, M.; Hartley, F.

    1995-01-01

    An interface is described that supplies communications between the flight instruments and the analog input of an existing conventional recording unit for the Shuttle Space Acceleration Measurement System (SAMS), a data acquisition unit. The architecture and current implementation of an STD bus/LonTalk communication interface are described.

  18. 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.

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

    NASA Astrophysics Data System (ADS)

    Ouyang, Bin; Meng, Fanchao; Song, Jun

    2014-12-01

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

  20. Synthesis, characterization and energetics of zeolites

    NASA Astrophysics Data System (ADS)

    Sun, Pingping

    Zeolites are microporous aluminosilicates, and Al or Si can be substituted by other elements, such as Ge, Ga, or P. Zeolites have been studied for more than two hundred years, because of their wide application and importance in mineralogy and technology. With high acidity and special pore system, zeolite beta (IZA code BEA) receives much attention. In the dissertation, the formation and dehydration enthalpy of cation exchanged zeolite beta, Li/Na/K/Rb/Cs/Mg/Ca/Sr/Ba -BEA 14 (14 is the Si/Al ratio), Mg/Ca - BEA 4 (4 is the Si/Al ratio), were studied by high-temperature oxide melt solution calorimetry. From an energetic point of view, zeolites beta are less stable than other zeolites of similar Si/Al ratio and cation content. Their enthalpies of formation and dehydration become more endothermic with increasing average ionic potential of the cations in the channels. The unfavorable enthalpy of low silica Mg-BEA 4 and Ca-BEA 4 suggests a possible energy barrier in their direct synthesis. The formation and partial molar dehydration enthalpy of Li-BEA 3 and Na-BEA 3.67 are also investigated by high temperature calorimetry. The partial molar dehydration enthalpies are a linear function of water content. Molecular mechanics simulations explore the cation and water molecule positions in the framework at several water contents. Ga substitution is of great interest due to the special catalytic character of Ga zeolites and the directing agent effect of Ga atoms. The energetics of gallosilicate zeolites Ga-NaSOD, Ga-NaFAU, Ga-NaNAT, Ga-KNAT, Ga-KLTL and Ga-KTUN-1 were studied. The lattice parameters and adsorbed water content increase after Ga substitution of Al. Compared to analogous aluminosilicate zeolites, the gallosilicate zeolites have a similar dehydration enthalpy per mole of tetrahedra, but a less endothermic dehydration enthalpy per mole of water. The gallosilicate zeolites also have less exothermic formation enthalpies from oxide components. The energetics of Ga

  1. Topological interface physics in spinor Bose-Einstein condensates

    NASA Astrophysics Data System (ADS)

    Borgh, Magnus; Ruostekoski, Janne

    2013-05-01

    We present an experimentally viable scheme whereby the physics of coherent interfaces between topologically distinct regions can be studied in an atomic quantum gas. The interface engineering is achieved using the internal spin structures of atoms together with local control over interaction strengths. We consider a coherent interface between polar and ferromagnetic regions of a spin-1 Bose-Einstein condensate and show that defects representing different topologies can connect continuously across the boundary. We show that energy minimization leads to nontrivial interface-crossing defect structures, demonstrating how the method can be used to study stability properties of field-theoretical solitons. We demonstrate, e.g., the formation of a half-quantum vortex arch, an Alice arch, on the interface, exhibiting the topological charge of a point defect. We also demonstrate an energetically stable connection of a coreless vortex to two half-quantum vortices. Our method can be extended to study interface physics in spin-2 and spin-3 BECs with richer phenomenology, or in strongly correlated optical-lattice systems. We acknowledge financial support from the Leverhulme Trust.

  2. Fluctuations at a constrained liquid-solid interface.

    PubMed

    Chaudhuri, Abhishek; Chaudhuri, Debasish; Sengupta, Surajit

    2007-08-01

    We study the interface between a solid trapped within a bath of liquid by a suitably shaped nonuniform external potential. Such a potential may be constructed using lasers, external electric or magnetic fields, or a surface template. We study a two-dimensional case where a thin strip of solid, created in this way, is surrounded on either side by a bath of liquid with which it can easily exchange particles. Since height fluctuations of the interface cost energy, this interface is constrained to remain flat at all length scales. However, when such a solid is stressed by altering the depth of the potential beyond a certain limit, it responds by relieving stress by novel interfacial fluctuations, which involve addition or deletion of entire lattice layers of the crystal. This "layering" transition is a generic feature of the system regardless of the details of the interaction potential. We show how such interfacial fluctuations influence mass, momentum, and energy transport across the interface. Tiny momentum impulses produce weak shock waves, which travel through the interface and cause the spallation of crystal layers into the liquid. Kinetic and energetic constraints prevent spallation of partial layers from the crystal, a fact which may be of some practical use. We also study heat transport through the liquid-solid interface and obtain the resistances in liquid, solid, and interfacial regions (Kapitza resistance) as the solid undergoes such layering transitions. Heat conduction, which shows strong signatures of the structural transformations, can be understood using a free volume calculation. PMID:17930047

  3. ENERGETIC PARTICLE ANISOTROPIES AT THE HELIOSPHERIC BOUNDARY

    SciTech Connect

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

    2013-10-20

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

  4. Energetic materials destruction using molten salt

    SciTech Connect

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

    1994-04-29

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

  5. Tackling radio polarization of energetic pulsars

    SciTech Connect

    Craig, H. A.

    2014-08-01

    The traditional, geometrical rotating vector model (RVM) has proved particularly poor at capturing the polarization sweeps of the young energetic and millisecond pulsars detected by Fermi. We augment this model by including finite altitude effects using a swept back vacuum dipole geometry. By further including the effects of orthogonal mode jumps, multiple emission altitudes, open zone growth via y-point lowering, and interstellar scattering, we show that a wide range of departures from RVM can be modeled well while retaining a geometrical picture. We illustrate these effects by fitting six Fermi-detected pulsars (J0023+0923, J1024–0719, J1744–1134, J1057–5226, J1420–6048, and J2124–3358) and we describe how such modeling can improve our understanding of their emission geometry.

  6. Effect of Sawtooth Oscillations on Energetic Ions

    SciTech Connect

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

    1999-12-10

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

  7. Characterization of thermally degraded energetic materials

    SciTech Connect

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

    1997-12-31

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

  8. COSTEP - Comprehensive Suprathermal and Energetic Particle Analyser

    NASA Astrophysics Data System (ADS)

    Müller-Mellin, R.; Kunow, H.; Fleißner, V.; Pehlke, E.; Rode, E.; Röschmann, N.; Scharmberg, C.; Sierks, H.; Rusznyak, P.; McKenna-Lawlor, S.; Elendt, I.; Sequeiros, J.; Meziat, D.; Sanchez, S.; Medina, J.; Del Peral, L.; Witte, M.; Marsden, R.; Henrion, J.

    1995-12-01

    The COSTEP experiment on SOHO forms part of the CEPAC complex of instruments that will perform studies of the suprathermal and energetic particle populations of solar, interplanetary, and galactic origin. Specifically, the LION and EPHIN instruments are designed to use particle emissions from the Sun for several species (electrons, protons, and helium nuclei) in the energy range 44 keV/particle to > 53 MeV/n as tools to study critical problems in solar physics as well as fundamental problems in space plasma and astrophysics. Scientific goals are presented and a technical description is provided of the two sensors and the common data processing unit. Calibration results are presented which show the ability of LION to separate electrons from protons and the ability of EPHIN to obtain energy spectra and achieve isotope separation for light nuclei. A brief description of mission operations and data products is given.

  9. STEREO Observations of Solar Energetic Particles

    NASA Technical Reports Server (NTRS)

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

    2011-01-01

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

  10. Satellite sweeping of energetic particles at Neptune

    NASA Technical Reports Server (NTRS)

    Paranicas, C. P.; Cheng, A. F.

    1991-01-01

    The calculation of the absorption rate of charged particles by planetary satellites introduced by Paonessa and Cheng (1987) is generalized to include an arbitrary offset of the dipole center from the planet center, appropriate for Neptune. The absorption rates calculated for particles of fixed L shell, energy, and pitch angle reflect the features of the complicated geometry of the dipole and the moons. This absorption probability is found to be insignificant compared with that of the rings at L shells to which both sets of absorbers map. However, at larger radii the sweeping rate is controlled by the moons, and the corresponding absorption features provide a starting point for understanding the Voyager energetic particle observations.

  11. Energetic particles in the jovian magnetotail.

    PubMed

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

    2007-10-12

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

  12. Energetics of life on the deep seafloor.

    PubMed

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

    2012-09-18

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

  13. Skeletal muscle mitochondrial energetic efficiency and aging.

    PubMed

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

    2015-01-01

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

  14. Very energetic protons in Saturn's radiation belt

    NASA Technical Reports Server (NTRS)

    Fillius, W.; Mcilwain, C.

    1980-01-01

    Very energetic protons are trapped in the inner Saturnian radiation belt. The University of California at San Diego instrument on Pioneer 11 has definitely identified protons of energy greater than 80 MeV on channel M3 and has tentatively detected protons of energy greater than 600 MeV on channel C3. The spatial distribution of the protons is distinct from that of the trapped electrons, the main difference being that the protons are strongly absorbed by the innermost moons and that the electrons are not. The source strength for injecting protons by the decay of cosmic ray albedo neutrons generated in the rings of Saturn has been estimated. The required proton lifetime is approximately 20 years.

  15. Coronal abundances determined from energetic particles

    NASA Technical Reports Server (NTRS)

    Reames, D. V.

    1995-01-01

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

  16. Energetics and stochastic dynamics of intraneuron transport

    NASA Astrophysics Data System (ADS)

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

    2016-02-01

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

  17. Energetic Compounds for Future Space Applications

    NASA Astrophysics Data System (ADS)

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

    2004-10-01

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

  18. Towards coherent control of energetic material initiation

    SciTech Connect

    Greenfield, Margo T; Mcgrane, Shawn D; Scharff, R Jason; Moore, David S

    2009-01-01

    Direct optical initiation (DOI) of energetic materials using coherent control of localized energy deposition 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 direct quantum controlled initiation (QCI) in condensed phase systems requires optimally shaped ultrafast laser pulses to coherently guide the energy flow along the 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 th 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).

  19. Tutorial on Solar Energetic-Particle Events

    NASA Technical Reports Server (NTRS)

    vonRosenvinge, Tycho T.

    2004-01-01

    Particles from the Sun at energies above approx. 1 MeV/nucleon have been studied in space for over 35 years. There have been major advances in instrumentation for studying elemental and isotopic composition, kinetic energy, charge states, time intensity histories, and anisotropies of energetic particles. There have also been extensive improvements in the observations of solar phenomena, including radio bursts, Coronal Mass Ejections (CMEs), and solar photons from soft X-ray to gamma-ray energies. Despite these advances, there is a lack of agreement as to the acceleration processes responsible for the particles seen in space shortly after the solar event. In particular, the relative importance of solar flares and CME-driven shocks is disputed for events of moderate to larger size. The reasons for this will be reviewed, and the prospects for resolving this issue will be evaluated.

  20. Energetics of life on the deep seafloor

    PubMed Central

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

    2012-01-01

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

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

    NASA Technical Reports Server (NTRS)

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

    1980-01-01

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

  2. Estimating instantaneous energetic cost during non-steady-state gait.

    PubMed

    Selinger, Jessica C; Donelan, J Maxwell

    2014-12-01

    Respiratory measures of oxygen and carbon dioxide are routinely used to estimate the body's steady-state metabolic energy use. However, slow mitochondrial dynamics, long transit times, complex respiratory control mechanisms, and high breath-by-breath variability obscure the relationship between the body's instantaneous energy demands (instantaneous energetic cost) and that measured from respiratory gases (measured energetic cost). The purpose of this study was to expand on traditional methods of assessing metabolic cost by estimating instantaneous energetic cost during non-steady-state conditions. To accomplish this goal, we first imposed known changes in energy use (input), while measuring the breath-by-breath response (output). We used these input/output relationships to model the body as a dynamic system that maps instantaneous to measured energetic cost. We found that a first-order linear differential equation well approximates transient energetic cost responses during gait. Across all subjects, model fits were parameterized by an average time constant (τ) of 42 ± 12 s with an average R(2) of 0.94 ± 0.05 (mean ± SD). Armed with this input/output model, we next tested whether we could use it to reliably estimate instantaneous energetic cost from breath-by-breath measures under conditions that simulated dynamically changing gait. A comparison of the imposed energetic cost profiles and our estimated instantaneous cost demonstrated a close correspondence, supporting the use of our methodology to study the role of energetics during locomotor adaptation and learning.

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

    Technology Transfer Automated Retrieval System (TEKTRAN)

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

  4. Novel Theory of Energetic-Ion-Induced Interchange Mode

    NASA Astrophysics Data System (ADS)

    Nishimura, Seiya

    2015-06-01

    On the basis of a kinetic energy principle, it is shown that the interchange mode in helical systems is excited by trapped energetic ions, where the ideal interchange mode is stable. The mode has a rotation frequency comparable to precession drift frequencies of trapped energetic ions. The theory explains how to apply the fishbone mode theory originally developed in tokamaks to helical systems.

  5. Energetic-particle stabilization of ballooning modes in Tokamaks

    NASA Astrophysics Data System (ADS)

    Rosenbluth, M. N.; Tsai, S. T.; van Dam, J. W.; Engguist, M. G.

    1983-07-01

    Introduction of an anisotropic, highly energetic trapped-particle species into a Tokamak may allow direct stable access to the high-beta regime of second stability. Under certain conditions, the mode at marginal stability acquires a real frequency close to the precessional drift frequency of the energetic particles, perhaps correlating with recent fishbone observations on PDX.

  6. Energetic Particle Stabilization of Ballooning Modes in Tokamaks

    NASA Astrophysics Data System (ADS)

    Rosenbluth, M. N.; Tsai, S. T.; van Dam, J. W.; Engquist, M. G.

    1983-11-01

    Introduction of an anisctropic, highly energetic trapped-particle species into a tokamak may allow direct stable access to the high-beta regime of second stability. Under certain conditions, the mode at marginal stability acquires a real frequency close to the precessional drift frequency of the energetic particles, perhaps correlating with recent "fishbone" observations on PDX.

  7. Energetic particle stabilization of ballooning modes in tokamaks

    SciTech Connect

    Rosenbluth, M.N.; Tsai, S.T.; Van Dam, J.W.; Engquist, M.G.

    1983-11-21

    Introduction of an anisotropic, highly energetic trapped-particle species into a tokamak may allow direct stable access to the high-beta regime of second stability. Under certain conditions, the mode at marginal stability acquires a real frequency close to the precessional drift frequency of the energetic particles, perhaps correlating with recent ''fishbone'' observations on PDX.

  8. Remote detection of traces of high energetic materials

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

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

    SciTech Connect

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

    2003-11-18

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

  10. Modeling Atmospheric Energy Deposition (by energetic ions)

    NASA Astrophysics Data System (ADS)

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

    2011-12-01

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

  11. Energetic dose: Beyond fire and flint?

    USGS Publications Warehouse

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

    2000-01-01

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

  12. SPUR coprocessor interface description

    SciTech Connect

    Hansen, P.M.; Kong, S.I.

    1987-01-01

    This report describes the SPUR coprocessor interface. The interface provides enhanced performance potential by allowing parallel operations between the SPUR processor and SPUR coprocessors. A decoupled control and execution architecture allow data transfers to proceed while coprocessor functions are performed. Implicit and explicit synchronization mechanisms provide the programmer with complete control and flexibility. On-chip coprocessor register files and a wide data path between the memory and coprocessor minimize data transfer overhead. An intelligent interface control unit provides parallel decoding of instructions for maximum performance.

  13. Operator interface for vehicles

    SciTech Connect

    Bissontz, Jay E

    2015-03-10

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

  14. Nanostructured energetic composites: synthesis, ignition/combustion modeling, and applications.

    PubMed

    Zhou, Xiang; Torabi, Mohsen; Lu, Jian; Shen, Ruiqi; Zhang, Kaili

    2014-03-12

    Nanotechnology has stimulated revolutionary advances in many scientific and industrial fields, particularly in energetic materials. Powder mixing is the simplest and most traditional method to prepare nanoenergetic composites, and preliminary findings have shown that these composites perform more effectively than their micro- or macro-sized counterparts in terms of energy release, ignition, and combustion. Powder mixing technology represents only the minimum capability of nanotechnology to boost the development of energetic material research, and it has intrinsic limitations, namely, random distribution of fuel and oxidizer particles, inevitable fuel pre-oxidation, and non-intimate contact between reactants. As an alternative, nanostructured energetic composites can be prepared through a delicately designed process. These composites outperform powder-mixed nanocomposites in numerous ways; therefore, we comprehensively discuss the preparation strategies adopted for nanostructured energetic composites and the research achievements thus far in this review. The latest ignition and reaction models are briefly introduced. Finally, the broad promising applications of nanostructured energetic composites are highlighted.

  15. Energetic-Energetic Cocrystals of Diacetone Diperoxide (DADP): Dramatic and Divergent Sensitivity Modifications via Cocrystallization.

    PubMed

    Landenberger, Kira B; Bolton, Onas; Matzger, Adam J

    2015-04-22

    Here we report a series of energetic-energetic cocrystals that incorporate the primary explosive diacetone diperoxide (DADP) with a series of trihalotrinitrobenzene explosives: 1:1 DADP/1,3,5-trichloro-2,4,6-trinitrobenzene (TCTNB), 1:1 DADP/1,3,5-tribromo-2,4,6-trinitrobenzene (TBTNB), and 1:1 DADP/1,3,5-triiodo-2,4,6-trinitrobenzene (TITNB). Acetone peroxides are attractive for their inexpensive and facile synthesis, but undesirable properties such as poor stability, intractably high sensitivity and low density, an indicator for low explosive power, have limited their application. Here through cocrystallization the density, oxygen balance, and stability of DADP are dramatically improved. Regarding sensitivity, in the case of the DADP/TCTNB cocrystal, the high impact sensitivity of DADP is retained by the cocrystal, making it a denser and less volatile form of DADP that remains viable as a primary explosive. Conversely, the DADP/TITNB cocrystal features impact sensitivity that is greatly reduced relative to both pure DADP and pure TITNB, demonstrating for the first time an energetic cocrystal that is less sensitive to impact than either of its pure components. This dramatic difference in cocrystal sensitivities may stem from the significantly different halogen-peroxide interactions seen in each cocrystal structure. These results highlight how sensitivity is defined by complex relationships between inherent bond strengths and solid-state properties, and cocrystal series such as that presented here provide a powerful experimental platform to probe this relationship.

  16. TSF Interface Package

    2004-03-01

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

  17. Crewstation display interface standardization

    NASA Astrophysics Data System (ADS)

    Hardy, Gregory J.

    1999-08-01

    Military sensors and crewstation displays are all moving to digital-based technologies, an epochal shift from the previous world of analog interfaces throughout the video chain. It is no longer possible to specify a sensor and display to the same interface specification such as the venerable RS-170 and RS- 343 standards without paying an unacceptable resolution penalty. Consequently a new standard is required to allow sensor and display manufacturers to easily design system interfaces without relying on cumbersome, costly and unique interface control documents. This paper presents one possible hardware and protocol standard based on FibreChannel technology, and solicits inputs into the standards setting process which is now in progress.

  18. Scalable coherent interface

    SciTech Connect

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

    1990-01-01

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

  19. Software interface verifier

    NASA Technical Reports Server (NTRS)

    Soderstrom, Tomas J.; Krall, Laura A.; Hope, Sharon A.; Zupke, Brian S.

    1994-01-01

    A Telos study of 40 recent subsystem deliveries into the DSN at JPL found software interface testing to be the single most expensive and error-prone activity, and the study team suggested creating an automated software interface test tool. The resulting Software Interface Verifier (SIV), which was funded by NASA/JPL and created by Telos, employed 92 percent software reuse to quickly create an initial version which incorporated early user feedback. SIV is now successfully used by developers for interface prototyping and unit testing, by test engineers for formal testing, and by end users for non-intrusive data flow tests in the operational environment. Metrics, including cost, are included. Lessons learned include the need for early user training. SIV is ported to many platforms and can be successfully used or tailored by other NASA groups.

  20. Performance Application Programming Interface

    2005-10-31

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

  1. Engineering Orthopedic Tissue Interfaces

    PubMed Central

    Yang, Peter J.

    2009-01-01

    While a wide variety of approaches to engineering orthopedic tissues have been proposed, less attention has been paid to the interfaces, the specialized areas that connect two tissues of different biochemical and mechanical properties. The interface tissue plays an important role in transitioning mechanical load between disparate tissues. Thus, the relatively new field of interfacial tissue engineering presents new challenges—to not only consider the regeneration of individual orthopedic tissues, but also to design the biochemical and cellular composition of the linking tissue. Approaches to interfacial tissue engineering may be distinguished based on if the goal is to recreate the interface itself, or generate an entire integrated tissue unit (such as an osteochondral plug). As background for future efforts in engineering orthopedic interfaces, a brief review of the biology and mechanics of each interface (cartilage–bone, ligament–bone, meniscus–bone, and muscle–tendon) is presented, followed by an overview of the state-of-the-art in engineering each tissue, including advances and challenges specific to regenerating the interfaces. PMID:19231983

  2. Serial interface controller

    SciTech Connect

    Kandasamy, A.

    1995-04-14

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

  3. Interfaces: nanometric dielectrics

    NASA Astrophysics Data System (ADS)

    Lewis, T. J.

    2005-01-01

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

  4. MER SPICE Interface

    NASA Technical Reports Server (NTRS)

    Sayfi, Elias

    2004-01-01

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

  5. VIRTUAL FRAME BUFFER INTERFACE

    NASA Technical Reports Server (NTRS)

    Wolfe, T. L.

    1994-01-01

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

  6. Semiconductor/dielectric interface engineering and characterization

    NASA Astrophysics Data System (ADS)

    Lucero, Antonio T.

    The focus of this dissertation is the application and characterization of several, novel interface passivation techniques for III-V semiconductors, and the development of an in-situ electrical characterization. Two different interface passivation techniques were evaluated. The first is interface nitridation using a nitrogen radical plasma source. The nitrogen radical plasma generator is a unique system which is capable of producing a large flux of N-radicals free of energetic ions. This was applied to Si and the surface was studied using x-ray photoelectron spectroscopy (XPS). Ultra-thin nitride layers could be formed from 200-400° C. Metal-oxide-semiconductor capacitors (MOSCAPs) were fabricated using this passivation technique. Interface nitridation was able to reduce leakage current and improve the equivalent oxide thickness of the devices. The second passivation technique studied is the atomic layer deposition (ALD) diethylzinc (DEZ)/water treatment of sulfur treated InGaAs and GaSb. On InGaAs this passivation technique is able to chemically reduce higher oxidation states on the surface, and the process results in the deposition of a ZnS/ZnO interface passivation layer, as determined by XPS. Capacitance-voltage (C-V) measurements of MOSCAPs made on p-InGaAs reveal a large reduction in accumulation dispersion and a reduction in the density of interfacial traps. The same technique was applied to GaSb and the process was studied in an in-situ half-cycle XPS experiment. DEZ/H2O is able to remove all Sb-S from the surface, forming a stable ZnS passivation layer. This passivation layer is resistant to further reoxidation during dielectric deposition. The final part of this dissertation is the design and construction of an ultra-high vacuum cluster tool for in-situ electrical characterization. The system consists of three deposition chambers coupled to an electrical probe station. With this setup, devices can be processed and subsequently electrically characterized

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

    NASA Astrophysics Data System (ADS)

    Xie, Yao-Ping; Zhao, Shi-Jin

    2014-02-01

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

  8. Energetics of Al13 Keggin cluster compounds

    PubMed Central

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

    2011-01-01

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

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

    NASA Astrophysics Data System (ADS)

    D'Spain, Gerald Lynden

    1990-01-01

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

  10. The energetics of lanthanum tantalate materials

    SciTech Connect

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

    2010-11-15

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

  11. CUSP Energetic Particles: Confinement, Acceleration and Implications

    NASA Technical Reports Server (NTRS)

    Chen, Jiasheng

    1999-01-01

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

  12. Internal Transport Barrier Driven by Redistribution of Energetic Ions

    SciTech Connect

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

    2004-11-12

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

  13. Energetics diagnosis of numerical simulation of atmospheric blocking

    NASA Technical Reports Server (NTRS)

    Kung, Ernest C.

    1990-01-01

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

  14. Chemical Conversion of Energetic Materials to Higher Value Products

    SciTech Connect

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

    2005-04-19

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

  15. Voyager 1: energetic ions and electrons in the jovian magnetosphere.

    PubMed

    Vogt, R E; Cook, W R; Cummings, A C; Garrard, T L; Gehrels, N; Stone, E C; Trainor, J H; Schardt, A W; Conlon, T; Lal, N; McDonald, F B

    1979-06-01

    The observations of the cosmic-ray subsystem have added significantly to our knowledge of Jupiter's magnetosphere. The most surprising result is the existence of energetic sulfur, sodium, and oxygen nuclei with energies above 7 megaelectron volts per nucleon which were found inside of Io's orbit. Also, significant fluxes of similarly energetic ions reflecting solar cosmic-ray composition were observed throughout the magnetosphere beyond 11 times the radius of Jupiter. It was also found that energetic protons are enhanced by 30 to 70 percent in the active hemisphere. Finally, the first observations were made of the magnetospheric tail in the dawn direction out to 160 Jupiter radii.

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

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  17. The energetics of anabolism in natural settings.

    PubMed

    LaRowe, Douglas E; Amend, Jan P

    2016-06-01

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

  18. Liquid surface model for carbon nanotube energetics.

    PubMed

    Solov'yov, Ilia A; Mathew, Maneesh; Solov'yov, Andrey V; Greiner, Walter

    2008-11-01

    In the present paper we developed a model for calculating the energy of single-wall carbon nanotubes of arbitrary chirality. This model, which we call as the liquid surface model, predicts the energy of a nanotube with relative error less than 1% once its chirality and the total number of atoms are known. The parameters of the liquid surface model and its potential applications are discussed. The model has been suggested for open end and capped nanotubes. The influence of the catalytic nanoparticle, atop which nanotubes grow, on the nanotube stability is also discussed. The suggested model gives an important insight in the energetics and stability of nanotubes of different chirality and might be important for the understanding of nanotube growth process. For the computations we use empirical Brenner and Tersoff potentials and discuss their applicability to the study of carbon nanotubes. From the calculated energies we determine the elastic properties of the single-wall carbon nanotubes (Young modulus, curvature constant) and perform a comparison with available experimental measurements and earlier theoretical predictions.

  19. Energetic Particle Observations Near the Termination Shock

    SciTech Connect

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

    2004-09-15

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

  20. Fast magnetospheric echoes of energetic electron beams

    NASA Technical Reports Server (NTRS)

    Wilhelm, K.; Bernstein, W.; Kellogg, P. J.; Whalen, B. A.

    1985-01-01

    Electron beam experiments using rocketborne instrumentation have confirmed earlier observations of fast magnetospheric echoes of artificially injected energetic electrons. A total of 234 echoes have been observed in a pitch angle range from 9 to 110 deg at energies of 1.87 and 3.90 keV. Out of this number, 95 echoes could unambiguously be identified with known accelerator operations at 2-, 4-, or 8-keV energy and highest current levels resulting in the determination of transit times of typically 300 to 400 ms. In most cases, when echoes were present in both energy channels, the higher-energy electrons led the lower-energy ones by 50 to 70 ms. Adiabatic theory applied to these observations yields a reflection height of 3000 to 4000 km. An alternative interpretation is briefly examined, and its relative merit in describing the observations is evaluated. The injection process is discussed in some detail as the strong beam-plasma interaction that occurred near the electron accelerator appears to be instrumental in generating the source of heated electrons required for successful echo detection for both processes.

  1. Neandertal cold adaptation: physiological and energetic factors.

    PubMed

    Steegmann, A Theodore; Cerny, Frank J; Holliday, Trenton W

    2002-01-01

    European Neandertals employed a complex set of physiological cold defenses, homologous to those seen in contemporary humans and nonhuman primates. While Neandertal morphological patterns, such as foreshortened extremities and low relative surface-area, may have explained some of the variance in cold resistance, it is suggested the adaptive package was strongly dependent on a rich array of physiological defenses. A summary of the environmental cold conditions in which the Neandertals lived is presented, and a comparative ethnographic model from Tierra del Fuego is used. Muscle and subcutaneous fat are excellent "passive" insulators. Neandertals were quite muscular, but it is unlikely that they could maintain enough superficial body fat to offer much cold protection. A major, high-energy metabolic adaptation facilitated by modest amounts of highly thermogenic brown adipose tissue (BAT) is proposed. In addition, Neandertals would have been protected by general mammalian cold defenses based on systemic vasoconstriction and intensified by acclimatization, aerobic fitness, and localized cold--induced vasodilation. However, these defenses are energetically expensive. Based on contemporary data from circumpolar peoples, it is estimated that Neandertals required 3,360 to 4,480 kcal per day to support strenuous winter foraging and cold resistance costs. Several specific genetic cold adaptations are also proposed--heat shock protein (actually, stress shock protein), an ACP*1 locus somatic growth factor, and a specialized calcium metabolism not as yet understood. PMID:12203812

  2. Testing Transport Theories with Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Dröge, W.; Kartavykh, Y. Y.

    2009-03-01

    The detailed modeling of solar particle events offers the possibility of deriving coefficients describing the propagation of energetic particles in the inner heliosphere such as scattering mean free paths and thus to test the validity of different theories for the interaction of the particles with magnetic field fluctuations. In addition, information about the three-dimensional structure and the dynamical properties of the fluctuations can be obtained and compared with results from direct magnetic field observations. We apply different methods to numerically solve the focused transport equation for pitch angle diffusion coefficients calculated from standard and dynamical quasi-linear theory, and investigate the resulting pitch angle distributions for 100 keV electrons and for MeV protons. We find that pitch angle distributions predicted for electrons from a model comprising dynamical quasi-linear theory and the assumption that the fluctuations are composed of a 20% slab and an 80% two-dimensional component differ significantly from those predicted for protons. A comparison with particle observations from the solar event of 2000 February 18 reveals that these predictions are also in strong disagreement with the observed electron pitch angle distributions. Our findings indicate that the above model, inspite of its recent success in making quantitatively correct predictions for the particle's scattering mean free path parallel to the average magnetic field from observations of solar wind turbulence, is still not complete.

  3. The energetic characterization of pineapple crown leaves.

    PubMed

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

    2015-12-01

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

  4. Source mechanism for energetic electrons at Saturn

    NASA Astrophysics Data System (ADS)

    Paranicas, C.; Mitchell, D. G.; Roelof, E. C.; Mauk, B. H.; Krupp, N.; Krimigis, S. M.; Brandt, P. C.; Turner, F. S.

    2006-12-01

    Electron data from the Cassini Magnetospheric Imaging Instrument (MIMI) reveal regular injections of tens to hundreds of keV particles deep into the magnetosphere of Saturn. Once injected, these electrons lag rigid corotation because their gradient-curvature drift is opposed to the sense of planetary rotation. Cassini regularly encounters both fresh injections and injections up to several days old. If, as in our model, electrons are injected at all L shells but approximately confined to a narrow group of longitudes, Cassini can miss new injections or encounter them once or twice on a single orbit. As injections evolve, all planetary longitudes begin to contain remnants of the original injection at some L shell. On a time-energy spectrogram of the orbit, an older injection will then appear at different energies and times. We have found using modeling that what initially appeared to us as distinct populations were really different parts of a single injection several days old. Our working hypothesis is that the vast majority of energetic electrons in the inner magnetosphere of Saturn are due to injections of various ages.

  5. The Energetic Particle Experiment EPE for THOR

    NASA Astrophysics Data System (ADS)

    Steinhagen, Jan; Wimmer-Schweingruber, Robert F.; Vainio, Rami; Valtonen, Eino; Eronen, Timo; Riihonen, Esa; Palmroth, Minna; Vaivads, Andris; Federica Marcucci, Maria

    2016-04-01

    The Turbulence Heating ObserveR THOR is a candidate for ESA's next M4 mission, aimed to fly in 2026. Its mission purpose is to reveal how turbulent energy dissipation heats and energizes particles on kinetic scales in the solar wind as well as Earth's magnetosheath and bowshock. The Energetic Particle Experiment EPE on THOR has heritage from Solar Orbiter's EPT and SOHO's ERNE and will provide particle measurements of electrons between 20 and 700 keV and ions from 20 to 8000 keV/n. Two sensor units with two double-ended telescopes each yield eight viewcones in total, four of which are dedicated to electrons and the other four to ions. In combination with the rotation of the spacecraft the full sky will be covered, generating unique 3D measurements of the suprathermal particle population. The particle velocity distribution functions obtained this way are a key ingredient for understanding how anisotropies, resonances and plasma beams are formed through the dissipation of plasma waves, structures, interaction with shocks and reconnection phenomena.

  6. Temporal Evolution of Solar Energetic Particle Spectra

    NASA Astrophysics Data System (ADS)

    Doran, Donald J.; Dalla, Silvia

    2016-08-01

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

  7. Intensity Variation of Solar Energetic Particle Events

    NASA Technical Reports Server (NTRS)

    Gopalswamy, Nat

    2011-01-01

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

  8. MEMEX: Mechanisms of Energetic Mass Ejection Explorer

    NASA Astrophysics Data System (ADS)

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

    2013-12-01

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

  9. Linking energetics and overwintering in temperate insects.

    PubMed

    Sinclair, Brent J

    2015-12-01

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

  10. Hafnia: Energetics of Thin Films and Nanoparticles

    SciTech Connect

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

    2010-01-01

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

  11. Energetic molding of chiral magnetic bubbles

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  12. Ion energetics in the Venus nightside ionosphere

    NASA Technical Reports Server (NTRS)

    Knudsen, W. C.; Miller, K. L.; Spenner, K.; Whitten, R. C.

    1980-01-01

    Consideration is given to the energetics of the ion gas flowing across the terminator into the Venus nightside ionosphere. Expressions are derived for the transport time of the ion gas (through 1 radian in solar zenith angle), the heat transfer time from the hot electron gas to the ions of an amount equal to the ion thermal energy), and the time required for vertical heat conduction to remove the internal energy of the ion column above a reference altitude, and it is shown that the time constant for transport is an order of magnitude smaller than the electron heat transfer time and comparable to the conduction time, and thus the ion gas is not a vertical conductive steady state. The conversion of bulk flow ion kinetic energy into heat is suggested as the mechanism responsible for the maintenance of the nightside ion temperatures at their observed values. It is thus concluded that the flow of the ion gas is quasi-adiabatic, and that steady-state, vertical, one dimensional energy balance models must be used with caution in the Venus ionosphere.

  13. Energetic Particles in the Inner Heliosphere

    NASA Astrophysics Data System (ADS)

    Malandraki, Olga

    2016-07-01

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

  14. Extracellular metabolic energetics can promote cancer progression.

    PubMed

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

    2015-01-29

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

  15. Efficient laser production of energetic neutral beams

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

  16. Reactive thermal waves in energetic materials

    SciTech Connect

    Hill, Larry G

    2009-01-01

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

  17. The energetic characterization of pineapple crown leaves.

    PubMed

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

    2015-12-01

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

  18. Energetic protons in the Jovian magnetosphere

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

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

  19. Observed deep energetic eddies by seamount wake

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  20. Observed deep energetic eddies by seamount wake

    PubMed Central

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

    2015-01-01

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

  1. Kinetic transport simulation of energetic particles

    NASA Astrophysics Data System (ADS)

    Sheng, He; Waltz, R. E.

    2016-05-01

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

  2. Elemental composition of solar energetic particles

    NASA Technical Reports Server (NTRS)

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

    1984-01-01

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

  3. Energetic Ion Experiments in DIII-D

    SciTech Connect

    Heidbrink, W.W.

    2005-10-15

    A summary of fast ion experiments in the DIII-D tokamak is given. Most of the experiments involve {approx}80-keV deuterium beam ions. Deceleration of dilute fast-ion populations is accurately described by coulomb scattering theory. Fast waves with frequencies several times the deuterium cyclotron frequency interact with beam ions when the product of wave number and gyroradius k{sub perpendicular{rho}}{sub i} is {approx}>1.4. Global confinement of fast ions is often excellent although sawteeth, tearing modes, and beam-driven instabilities can cause additional transport. Intense beam-ion populations often drive instabilities. Toroidicity-induced Alfven eigenmodes (TAE) and somewhat lower frequency modes (originally called beta-induced Alfven eigenmodes) are often observed in a wide variety of plasma conditions. Over 50% of the beam power is lost during strong activity. Damping mechanisms such as mode coupling or radiative damping are needed to explain the observed TAE stability threshold. The most unstable toroidal mode number agrees well with theoretical expectations, but the radial and poloidal structure of the mode and the observed beam-ion transport have not been adequately explained. The modes with frequencies below the TAE are probably two types of energetic particle modes: the resonant TAE and the resonant kinetic ballooning mode.

  4. PoET: Polarimeters for Energetic Transients

    NASA Technical Reports Server (NTRS)

    McConnell, Mark; Barthelmy, Scott; Hill, Joanne

    2008-01-01

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

  5. The Two Sources of Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Reames, Donald V.

    2012-05-01

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

  6. Energetics of proline transport in corn mitochondria

    SciTech Connect

    Elthon, T.E.; Stewart, C.R.; Bonner, W.D. Jr.

    1984-08-01

    The mechanism of proline entry into the matrix region of isolated corn mitochondria (Zea mays L. Mo17 x B73) was investigated by measuring osmotically induced changes of mitochondrial size (changes in A/sub 520/) in combination with oxygen uptake measurements. Using NADH oxidation to generate the electrochemical gradient, we have determined that proline transport is stereospecific and that it can be inhibited by the proline analog L-thiazolidine-4-carboxylic acid. The energetics of proline transport was investigated by measuring the effects of FCCP (p-trifluoromethoxycarbonyl cyanide phenylhydrazone) and valinomycin on mitochondrial swelling and substrate oxidation. Proline transport and resulting oxidation were found to be partially dependent upon the energy of the electrochemical gradient. At low proline concentrations, entry was found to be primarily independent of the gradient (based on insensitivity to FCCP), whereas at higher proline concentrations a gradient-dependent mechanism became involved. Results with valimomycin indicated that proline transport and oxidation are dependent upon the pH potential across the membrane rather than the electrical (membrane) potential.

  7. PLASMA ENERGETIC PARTICLES SIMULATION CENTER (PEPSC)

    SciTech Connect

    Berk, Herbert L.

    2014-05-23

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

  8. Observed deep energetic eddies by seamount wake.

    PubMed

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

    2015-01-01

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

  9. Energetic electrons in the magnetosphere of jupiter.

    PubMed

    Van Allen, J A; Baker, D N; Randall, B A; Thomsen, M F; Sentman, D D; Flindt, H R

    1974-01-25

    Observations of energetic electrons ( greater, similar 0.07 million electron volts) show that the outer magnetosphere of Jupiter consists of a thin disklike, quasitrapping region extending from about 20 to 100 planetary radii (R(J)). This magnetodisk is confined to the vicinity of the magnetic equatorial plane and appears to be an approximate figure of revolution about the magnetic axis of the planet. Hard trapping is observed within a radial distance of about 20 R(J). The omnidirectional intensity J(0) of electrons with energy greater, similar 21 million electron volts within the region 3 r 20 R(J) is given by the following provisional expression in terms of radial distance r and magnetic latitude theta: J(0) = 2.1 x 10(8) exp[-(r/a) - (theta/b)(2)]. In this expression J(0) is particles per square centimeter per second; a = 1.52 R(J) for 3

  10. Energetic charged particles in the uranian magnetosphere.

    PubMed

    Stone, E C; Cooper, J F; Cummings, A C; McDonald, F B; Trainor, J H; Lal, N; McGuire, R; Chenette, D L

    1986-07-01

    During the encounter with Uranus, the cosmic ray system on Voyager 2 measured significant fluxes of energetic electrons and protons in the regions of the planets magnetosphere where these particles could be stably trapped. The radial distribution of electrons with energies of megaelectron volts is strongly modulated by the sweeping effects ofthe three major inner satellites Miranda, Ariel, and Umbriel. The phase space density gradient of these electrons indicates that they are diffusing radially inward from a source in the outer magnetosphere or magnetotail. Differences in the energy spectra of protons having energies of approximately 1 to 8 megaelectron volts from two different directions indicate a strong dependence on pitch angle. From the locations of the absorption signatures observed in the electron flux, a centered dipole model for the magnetic field of Uranus with a tilt of 60.1 degrees has been derived, and a rotation period of the planet of 17.4 hours has also been calculated. This model provides independent confirmaton of more precise determinations made by other Voyager experiments.

  11. Energetics of syntrophic cooperation in methanogenic degradation.

    PubMed Central

    Schink, B

    1997-01-01

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

  12. Structure and Energetics of Clustered Damage Sites

    SciTech Connect

    Miller, J H.; Aceves Gaona, Alejandro; Ernst, Matthew B.; Haranczyk, Maciej; Gutowski, Maciej S.; Vorpagel, Erich R.; Dupuis, Michel

    2005-10-17

    Quantum calculations on duplex DNA trimers were used to model the changes in structure, hydrogen bonding, stacking properties, and electrostatic potential induced by oxidized purine bases and abasic (AP) sites. Results for oxidized purine bases were consistent with experimental data that show small structural and energetic perturbations induced by isolated 8-oxoGC and 8-oxoAT. In contrast, AP sites caused substantial distortions of the DNA backbone that were accompanied by relocation of counterions. New inter- and intra-strand hydrogen bonds formed after removal of a nucleic acid base that significantly affected the energy of AP site and introduced a strong dependence of sequence context. Quantum calculations on small DNA fragments provided starting conformations and force-field parameters for classical molecular dynamics (MD) simulations of radiation-induced single strand breaks that most often combine cleavage of a phosphate-oxygen (PO) bond with an AP site and fully or partially degraded sugar ring. PO bond cleavage increased the freedom in backbone torsion angles, which allowed the broken strand to compress fill the hole in the DNA created by the AP site. Results for strand breaks with a 3? phosphoglycolate were similar to those with 3? and 5? phosphate end groups.

  13. Advanced Energetics for Aeronautical Applications. Volume II

    NASA Technical Reports Server (NTRS)

    Alexander, David S.

    2005-01-01

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

  14. Nanostructured Interfaces for Thermoelectrics

    NASA Astrophysics Data System (ADS)

    Gao, Y.; Marconnet, A. M.; Panzer, M. A.; Leblanc, S.; Dogbe, S.; Ezzahri, Y.; Shakouri, A.; Goodson, K. E.

    2010-09-01

    Temperature drops at the interfaces between thermoelectric materials and the heat source and sink reduce the overall efficiency of thermoelectric systems. Nanostructured interfaces based on vertically aligned carbon nanotubes (CNTs) promise the combination of mechanical compliance and high thermal conductance required for thermoelectric modules, which are subjected to severe thermomechanical stresses. This work discusses the property require- ments for thermoelectric interface materials, reviews relevant data available in the literature for CNT films, and characterizes the thermal properties of vertically aligned multiwalled CNTs grown on a candidate thermoelectric material. Nanosecond thermoreflectance thermometry provides thermal property data for 1.5- μm-thick CNT films on SiGe. The thermal interface resistances between the CNT film and surrounding materials are the dominant barriers to thermal transport, ranging from 1.4 m2 K MW-1 to 4.3 m2 K MW-1. The volumetric heat capacity of the CNT film is estimated to be 87 kJ m-3 K-1, which corresponds to a volumetric fill fraction of 9%. The effect of 100 thermal cycles from 30°C to 200°C is also studied. These data provide the groundwork for future studies of thermoelectric materials in contact with CNT films serving as both a thermal and electrical interface.

  15. Environmental materials and interfaces

    SciTech Connect

    Not Available

    1991-11-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2013-03-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  18. Proteins at the Biomaterial Electrolyte Interface

    NASA Astrophysics Data System (ADS)

    Tengvall, Pentti

    2005-03-01

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

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

    PubMed Central

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

    2015-01-01

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

  20. High temperature interface superconductivity

    DOE PAGES

    Gozar, A.; Bozovic, I.

    2016-01-20

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

  1. High temperature interface superconductivity

    NASA Astrophysics Data System (ADS)

    Gozar, A.; Bozovic, I.

    2016-02-01

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

  2. An Abstract Data Interface

    NASA Astrophysics Data System (ADS)

    Allan, D. J.

    The Abstract Data Interface (ADI) is a system within which both abstract data models and their mappings on to file formats can be defined. The data model system is object-oriented and closely follows the Common Lisp Object System (CLOS) object model. Programming interfaces in both C and \\fortran are supplied, and are designed to be simple enough for use by users with limited software skills. The prototype system supports access to those FITS formats most commonly used in the X-ray community, as well as the Starlink NDF data format. New interfaces can be rapidly added to the system---these may communicate directly with the file system, other ADI objects or elsewhere (e.g., a network connection).

  3. Urban water interfaces

    NASA Astrophysics Data System (ADS)

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

    2014-06-01

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

  4. Modal Interfaces in Hawaii

    NASA Technical Reports Server (NTRS)

    Wright, E. Alvey

    1974-01-01

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

  5. Profile Interface Generator

    2013-11-09

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

  6. Nonlinear optics at interfaces

    SciTech Connect

    Chen, C.K.

    1980-12-01

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

  7. Optical encryption interface

    NASA Technical Reports Server (NTRS)

    Jackson, Deborah J. (Inventor)

    1998-01-01

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

  8. Interfacing to accelerator instrumentation

    SciTech Connect

    Shea, T.J.

    1995-12-31

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

  9. Profile Interface Generator

    SciTech Connect

    2013-11-09

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

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

    PubMed Central

    Peri, Claudio; Morra, Giulia; Colombo, Giorgio

    2016-01-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

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

    PubMed Central

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

    2016-01-01

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

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

    PubMed

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

    2014-12-10

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

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

    SciTech Connect

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

    1995-09-01

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

  15. The effect of solar energetic particles on the Martian ionosphere

    NASA Astrophysics Data System (ADS)

    Darwish, Omar Hussain Al; Lillis, Robert; Fillingim, Matthew; Lee, Christina

    2016-10-01

    The precipitation of Solar Energetic Particles (SEP) into the Martian atmosphere causes several effects, one of the most important of which is ionization. However, the importance of this process to the global structure and dynamics for the Martian ionosphere is currently not well understood. The MAVEN spacecraft carries instrumentation which allow us to examine this process. The Neutral Gas and Ion Mass Spectrometer (NGIMS) measures the densities of planetary ions in the Mars ionosphere (O+,CO2+ and O2+). The Solar Energetic Particle (SEP) detector measures the fluxes of energetic protons and electrons. In this project, we examine the degree to which the density of ions in the Martian ionosphere is affected by the precipitation of energetic particles, under conditions of different SEP ion and electron fluxes and at various solar zenith angles. We will present statistical as well as case studies.

  16. Viewing the outer heliosphere in energetic neutral atoms

    NASA Technical Reports Server (NTRS)

    Hsieh, K. C.; Gruntman, M. A.

    1993-01-01

    The use of energetic neutral atoms (ENAs) to study the outer heliosphere is discussed. The detection of ENAs under stringent observational conditions is addressed. Imaging ENA instruments are examined.

  17. Energetic ion transport by microturbulence is insignificant in tokamaks

    SciTech Connect

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

    2013-05-15

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

  18. Energetic ion production in high current hollow cathodes

    NASA Astrophysics Data System (ADS)

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

    2015-09-01

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

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

    SciTech Connect

    Appleton, B R

    1991-01-01

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

  20. Computational evaluation on the sensitivity of energetic materials

    NASA Astrophysics Data System (ADS)

    Liu, Yi; Zybin, Sergey; Goddard, William

    2007-06-01

    An efficient computational procedure based on molecular dynamics (MD) simulation with ReaxFF reactive force field has been developed to evaluate the sensitivity of various energetic materials including TATB, RDX, PETN, HMX, and TATP. In this study, the two-dimensional slab model is first equilibrated at 300 K, followed by rapid heating up to 2000 K at a rate of 10 K/fs. The system is then allowed to evolve via MD at microcanonical ensemble, where the decomposition of energetic molecules mostly occurs. Another technique mimics the shock impact test and uses two moving wall driving by a constant force to create two impact waves running toward each other, followed by the shock reverberation and material decomposition. Our simulations show that sensitive energetic materials, in general, decompose more quickly than less sensitive ones, which agrees with experimental observations. The chemical reactions found in these simulations are analyzed to understand the mechanisms that account for diverse sensitivity of energetic materials.

  1. Integrated and spectral energetics of the GLAS general circulation model

    NASA Technical Reports Server (NTRS)

    Tenenbaum, J.

    1981-01-01

    Integrated and spectral error energetics of the Goddard Laboratory for Atmospheric Sciences (GLAS) general circulation model are compared with observations for periods in January 1975, 1976, and 1977. For two cases the model shows significant skill in predicting integrated energetics quantities out to two weeks, and for all three cases, the integrated monthly mean energetics show qualitative improvements over previous versions of the model in eddy kinetic energy and barotropic conversions. Fundamental difficulties remain with leakage of energy to the stratospheric level. General circulation model spectral energetics predictions are compared with the corresponding observational spectra on a day by day basis. Eddy kinetic energy can be correct while significant errors occur in the kinetic energy of wavenumber three. Single wavenumber dominance in eddy kinetic energy and the correlation of spectral kinetic and potential energy are demonstrated.

  2. Energetic ion transport by microturbulence is insignificant in tokamaksa)

    NASA Astrophysics Data System (ADS)

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

    2013-05-01

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

  3. Nuclear gamma-rays from energetic particle interactions

    NASA Technical Reports Server (NTRS)

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

    1979-01-01

    Gamma-ray line emission due to nuclear deexcitation following energetic particle interactions with abundant constituents of cosmic matter is studied. Reactions induced by energetic protons and alpha particles in ambient nuclei (He, C, N, O, Ne, Mg, Al, Si, S, Ca, and Fe) are considered, along with inverse reactions in which energetic nuclei interact with ambient H and He. Line-production cross sections are evaluated by analyzing a large body of laboratory nuclear data. Both prompt gamma rays, produced by direct excitation of nuclear levels and by spallation reactions that leave the secondary nucleus in an excited state, and delayed emission from long-lived radioactive nuclei also produced in the energetic particle reactions are investigated. A line list is provided, and the shapes of the gamma-ray lines are determined. Gamma-ray line production in the interstellar medium is evaluated in detail.

  4. Energetic Salts Based on Tetrazole N-Oxide.

    PubMed

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

    2016-06-01

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

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

    NASA Astrophysics Data System (ADS)

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

    2016-07-01

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

  6. Characteristics of the Energetic Igniters Through Integrating Al/NiO Nanolaminates on Cr Film Bridge

    NASA Astrophysics Data System (ADS)

    Yan, YiChao; Shi, Wei; Jiang, HongChuan; Xiong, Jie; Zhang, WanLi; Li, Yanrong

    2015-12-01

    The energetic igniters through integrating Al/NiO nanolaminates on Cr film bridges have been investigated in this study. The microstructures demonstrate well-defined geometry and sharp interfaces. The depth profiles of the X-ray photoelectron spectroscopy of Al/NiO nanolaminates annealed at 550 °C with a bilayer thickness of 250 nm show that the interdiffusion between the Al layer and NiO layer has happened and the annealing temperature cannot provide enough energy to make the diffusion process much more complete. The electrical explosion characteristics employing a capacitor discharge firing set at the optimized charging voltage of 40 V show that the flame duration time is about 700 μs, and an excellent explosion performance is obtained for (Al/NiO)n/Cr igniters with a bilayer thickness of 1000 nm.

  7. Energetics of side-chain snorkeling in transmembrane helices probed by nonproteinogenic amino acids

    PubMed Central

    Öjemalm, Karin; Higuchi, Takashi; Lara, Patricia; Lindahl, Erik; Suga, Hiroaki

    2016-01-01

    Cotranslational translocon-mediated insertion of membrane proteins into the endoplasmic reticulum is a key process in membrane protein biogenesis. Although the mechanism is understood in outline, quantitative data on the energetics of the process is scarce. Here, we have measured the effect on membrane integration efficiency of nonproteinogenic analogs of the positively charged amino acids arginine and lysine incorporated into model transmembrane segments. We provide estimates of the influence on the apparent free energy of membrane integration (ΔGapp) of “snorkeling” of charged amino acids toward the lipid–water interface, and of charge neutralization. We further determine the effect of fluorine atoms and backbone hydrogen bonds (H-bonds) on ΔGapp. These results help establish a quantitative basis for our understanding of membrane protein assembly in eukaryotic cells. PMID:27601675

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

    NASA Technical Reports Server (NTRS)

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

    2012-01-01

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

  9. MATEO: a software package for the molecular design of energetic materials.

    PubMed

    Mathieu, Didier

    2010-04-15

    To satisfy the need of energetic materials chemists for reliable and efficient predictive tools in order to select the most promising candidates for synthesis, a custom software package is developed. Making extensive use of publicly available software, it integrates a wide range of models and can be used for a variety of tasks, from the calculation of molecular properties to the prediction of the performance of heterogeneous materials, such as propellant compositions based on ammonium perchlorate/aluminium mixtures. The package is very easy to use through a graphical desktop environment. According to the material provided as input, suitable models and parameters are automatically selected. Therefore, chemists can apply advanced predictive models without having to learn how to use complex computer codes. To make the package more versatile, a command-line interface is also provided. It facilitates the assessment of various procedures by model developers.

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

    PubMed Central

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

    2016-01-01

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

  11. Energetics of side-chain snorkeling in transmembrane helices probed by nonproteinogenic amino acids.

    PubMed

    Öjemalm, Karin; Higuchi, Takashi; Lara, Patricia; Lindahl, Erik; Suga, Hiroaki; von Heijne, Gunnar

    2016-09-20

    Cotranslational translocon-mediated insertion of membrane proteins into the endoplasmic reticulum is a key process in membrane protein biogenesis. Although the mechanism is understood in outline, quantitative data on the energetics of the process is scarce. Here, we have measured the effect on membrane integration efficiency of nonproteinogenic analogs of the positively charged amino acids arginine and lysine incorporated into model transmembrane segments. We provide estimates of the influence on the apparent free energy of membrane integration (ΔGapp) of "snorkeling" of charged amino acids toward the lipid-water interface, and of charge neutralization. We further determine the effect of fluorine atoms and backbone hydrogen bonds (H-bonds) on ΔGapp These results help establish a quantitative basis for our understanding of membrane protein assembly in eukaryotic cells. PMID:27601675

  12. Theory of surfaces and interfaces in wide-gap nitrides

    SciTech Connect

    Rapcewicz, K.; Nardelli, M.B.; Chen, B.; Zhang, Z.; Bernholc, J.

    1996-12-31

    A selection of the results of an ongoing theoretical investigation of the properties of the wide-gap 3-5 nitride semiconductors are presented. The energetics of the 2 x 2 reconstructions of GaN surfaces have been studied. The nitrogen-adatom reconstruction on the gallium-terminated face has the lowest energy of the reconstructions considered; on the nitrogen-terminated face, the nitrogen-vacancy has the lowest energy. The electron affinity at selected AlN surfaces has been calculated. Negative electron affinity (NEA) is found for the 2 x 2 aluminum-vacancy reconstruction on the aluminum terminated face, while the 1 x 1 hydrogen-passivated nitrogen-terminated surface has a very small electron affinity. A detailed study of (001) zinc-blende interfaces of AlN/GaN/InN is described. The band offsets show that the interfaces are of type 1. 31 refs., 4 figs., 2 tabs.

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

    NASA Astrophysics Data System (ADS)

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

    2016-03-01

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

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

    PubMed

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

    2016-03-28

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

  15. Dynamic disorder and the energetic costs of information transduction

    SciTech Connect

    Thill, Peter

    2014-07-07

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

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

    SciTech Connect

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

    2004-04-27

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

  17. African easterly wave energetics on intraseasonal timescales

    NASA Astrophysics Data System (ADS)

    Alaka, Ghassan J., Jr.

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

  18. Energetics of S-adenosylmethionine synthetase catalysis.

    PubMed

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

    2000-04-18

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

  19. Mitochondria and Energetic Depression in Cell Pathophysiology

    PubMed Central

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

    2009-01-01

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

  20. Spectral energetics of the lower thermosphere

    SciTech Connect

    Raskin, R.G.

    1992-01-01

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

  1. Modelling the locomotor energetics of extinct hominids.

    PubMed

    Kramer, P A

    1999-10-01

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

  2. Modelling the locomotor energetics of extinct hominids.

    PubMed

    Kramer, P A

    1999-10-01

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

  3. Solar Energetic Particles and Space Weather

    NASA Technical Reports Server (NTRS)

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

    2001-01-01

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

  4. Cavitation Bubble Nucleation by Energetic Particles

    SciTech Connect

    West, C.D.

    1998-12-01

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

  5. Comparative primate energetics and hominid evolution.

    PubMed

    Leonard, W R; Robertson, M L

    1997-02-01

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

  6. Green primaries: environmentally friendly energetic complexes.

    PubMed

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

    2006-04-01

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

  7. Green primaries: Environmentally friendly energetic complexes

    PubMed Central

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

    2006-01-01

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

  8. University of Rochester, Laboratory for Laser Energetics

    NASA Astrophysics Data System (ADS)

    1987-01-01

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

  9. Diagnostics of Solar Flare Energetic Particles

    NASA Astrophysics Data System (ADS)

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

    2009-05-01

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

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

    PubMed

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

    2003-08-01

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

  11. MESSENGER observations of energetic electron acceleration in Mercury's magnetotail

    NASA Astrophysics Data System (ADS)

    Dewey, Ryan; Slavin, James A.; Baker, Daniel; Raines, Jim; Lawrence, David

    2016-10-01

    Energetic particle bursts within Mercury's magnetosphere have been a source of curiosity and controversy since Mariner 10's flybys. Unfortunately, instrumental effects prevent an unambiguous determination of species, flux, and energy spectrum for the Mariner 10 events. MESSENGER data taken by the Energetic Particle Spectrometer (EPS) have now shown that these energetic particle bursts are composed entirely of electrons. EPS made directional measurements of these electrons from ~30 to 300 keV at 3 s resolution, and while the energy of these electrons sometimes exceeded 200 keV, the energy distributions usually exhibited a cutoff near 100 keV. The Gamma Ray Spectrometer (GRS) has also provided measurements of these electron events, at higher time resolution (10 ms) and energetic threshold (> 50 keV) compared to EPS. We focus on GRS electron events near the plasma sheet in Mercury's magnetotail to identify reconnection-associated acceleration mechanisms. We present observations of acceleration associated with dipolarization events (betratron acceleration), flux ropes (Fermi acceleration), and tail loading/unloading (X-line acceleration). We find that the most common source of energetic electron events in Mercury's magnetosphere are dipolarization events similar to those first observed by Mariner 10. Further, a significant dawn-dusk asymmetry is found with dipolarization-associated energetic particle bursts being more common on the dawn side of the magnetotail.

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

    DOEpatents

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

    1998-10-20

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

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

    DOEpatents

    Molvik, Arthur W.; Ellingboe, Albert R.

    1998-01-01

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

  14. Modeling thermally driven energetic response of high explosives

    SciTech Connect

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

    1998-08-17

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

  15. Modeling thermally driven energetic response of high explosives

    SciTech Connect

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

    1998-02-01

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

  16. METHOD OF PRODUCING ENERGETIC PLASMA FOR NEUTRON PRODUCTION

    DOEpatents

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

    1961-01-24

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

  17. Photochemistry at Interfaces

    SciTech Connect

    Eisenthal, Kenneth B

    2015-02-24

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

  18. Interfacing with a DMM.

    ERIC Educational Resources Information Center

    Beatty, Jim

    1985-01-01

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

  19. Interface It Yourself.

    ERIC Educational Resources Information Center

    Westling, Bruce D.; Bahe, Margaret E.

    1986-01-01

    Describes several ways to build data collection devices for microcomputers. The interface devices connect with either the computer's game port or an analog-to-digital converter. Discusses how teachers have designed the equipment and appropriate software to use with the computer in biology teaching. (TW)

  20. A Thermistor Interface.

    ERIC Educational Resources Information Center

    Kamin, Gary D.; Dowden, Edward

    1987-01-01

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

  1. the EXFOR interface

    2011-03-10

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

  2. Videodisc-Computer Interfaces.

    ERIC Educational Resources Information Center

    Zollman, Dean

    1984-01-01

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

  3. Probing interfaces involving liquids.

    PubMed

    Robinson, A L

    1987-04-10

    Last month in Washington, D.C., the National Academy of Sciences held the first of what it hopes will be a series of seminars in forefront fields of science, technology, and medicine. The idea is to bring the academy closer to the frontlines of research and to help spread the word to federal science policy-makers. The subject of the 23 and 24 March seminar was interfaces and thin films, and the talks, though tutorial in nature, contained a pleasantly large number of still unpublished results. Interfaces, such as the surface of a solid exposed to a liquid or gas, and thin films, whose properties are heavily influenced by interfaces, have long been of considerable technological importance and have always been so in biological processes, but researchers are now getting access to the experimental and theoretical tools needed to explore these complex physical systems that are neither ideally two-dimensional nor fully three-dimensional. The briefings that follow give a peek at three ways to probe interfaces involving liquids.

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

    NASA Astrophysics Data System (ADS)

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

    2014-09-01

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

  5. PREFACE: Water at interfaces Water at interfaces

    NASA Astrophysics Data System (ADS)

    Gallo, P.; Rovere, M.

    2010-07-01

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

  6. Easy-to-use interface

    SciTech Connect

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

    1999-04-01

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

  7. Interface Configuration Experiment: Preliminary results

    SciTech Connect

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

    1993-09-01

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

  8. Interface Configuration Experiment: Preliminary Results

    NASA Technical Reports Server (NTRS)

    Concus, Paul; Finn, Robert; Weislogel, Mark

    1994-01-01

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

  9. Comparative primate energetics and hominid evolution.

    PubMed

    Leonard, W R; Robertson, M L

    1997-02-01

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

  10. Diving energetics in king penguins (Aptenodytes patagonicus).

    PubMed

    Culik, B M; Pütz, K; Wilson, R P; Allers, D; Lage, J; Bost, C A; Le Maho, Y

    1996-04-01

    Dive duration in wild king penguins and the energetic cost of swimming in a 30m long swim channel were determined at Ile de la Possession, Crozet Archipelago, using external data loggers and respirometry, respectively. Calibrated electronic data loggers equipped with a pressure sensor were used to determine dive durations: 95% of dives were less than 6 min long and 66% of dives were less than 4 min long. Dive patterns show that king penguins may intersperse long dive durations (4-6.3 min) with short ones (1.5-3 min) and make surface pauses of variable duration between them (0.5-3.5 min), or dive regularly (for up to 5 h) with long dive durations (5 min) and constant interdive surface intervals (1.5 min). The latter indicates that the aerobic dive limits (ADL) of this species could be higher and oxygen consumption lower than previously reported. Assuming that king penguins dive within their aerobic limit, different approaches to the analysis of the data obtained in the swim channel are discussed to derive the ADL. Swimming speeds observed in the channel ranged from 0.9 to 3.4 m s-1. Transport costs were lowest between 1.8 and 2.2 m s-1. Although at 2.2 m s-1 king penguins used only 10.3 Wkg-1 over a dive+surface cycle (minimal transport costs of 4.7 J kg-1 m-1), we speculate that tisse oxygen consumption during submergence may be as low as 0.23 ml O2 kg-1 s-1 (2.1 times standard metabolic rate, SMR) or perhaps lower (which gives an ADL of 4.2 min). During surface phases, oxygen uptake would be increased to at least 1 ml O2kg-1 s-1 (9.3 times SMR). This implies that at least 70% of all dives are aerobic. Potential physiological mechanisms allowing king penguins to partition O2 consumption between submergence and surface periods remain, however, unclear. PMID:8788090

  11. The Two Sources of Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Reames, Donald V.

    2013-06-01

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

  12. Intracellular energetic units in red muscle cells.

    PubMed Central

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

    2001-01-01

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

  13. Energetic Trend in Explosive Activity of Stromboli

    NASA Astrophysics Data System (ADS)

    Coltelli, M.; Cristaldi, A.; Mangiagli, S.; Nunnari, G.; Pecora, E.

    2003-12-01

    increasing its activity and when it declined the paroxysmal explosion occurred suddenly at the former site. From September 2001 an on-line image analyzer called VAMOS (Volcanic Activity MOnitoring System) operates detection and classification of explosive events in real-time. The system has automatically recorded and analyzed the change in the energetic trend that preceded the 20 October 2001 paroxysmal explosion that killed a woman and the strong explosive activity that preceded the onset of 28 December 2002 lava flow eruption.

  14. Lithium diffusion at Si-C interfaces in silicon-graphene composites

    SciTech Connect

    Odbadrakh, Khorgolkhuu; McNutt, N. W.; Nicholson, D. M.; Rios, O.; Keffer, D. J.

    2014-08-04

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using density functional theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  15. Lithium diffusion at Si-C interfaces in Silicon-Graphene composites

    SciTech Connect

    Odbadrakh, Khorgolkhuu; McNutt, Nichiolas William; Nicholson, Donald M.; Rios, Orlando; Keffer, David J.

    2014-01-01

    Models of intercalated Li and its diffusion in Si-Graphene interfaces are investigated using Density Functional Theory. Results suggest that the presence of interfaces alters the energetics of Li binding and diffusion significantly compared to bare Si or Graphene surfaces. Our results show that cavities along reconstructed Si surface provide diffusion paths for Li. Diffusion barriers calculated along these cavities are significantly lower than penetration barriers to bulk Si. Interaction with Si surface results in graphene defects, creating Li diffusion paths that are confined along the cavities but have still lower barrier than in bulk Si.

  16. Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics.

    PubMed

    de Oteyza, Dimas G; Garcia-Lastra, Juan M; Toma, Francesca M; Borghetti, Patrizia; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Pho, Toan V; Wudl, Fred; Ortega, J Enrique

    2016-01-01

    We report the interface energetics of decacyclene trianhydride (DTA) monolayers on top of two distinct model surfaces, namely, Au(111) and Ag(111). On the latter, combined valence band photoemission and X-ray absorption measurements that access the occupied and unoccupied molecular orbitals, respectively, reveal that electron transfer from substrate to surface sets in. Density functional theory calculations confirm our experimental findings and provide an understanding not only of the photoemission and X-ray absorption spectral features of this promising organic semiconductor but also of the fingerprints associated with the interface charge transfer.

  17. Decacyclene Trianhydride at Functional Interfaces: An Ideal Electron Acceptor Material for Organic Electronics.

    PubMed

    de Oteyza, Dimas G; Garcia-Lastra, Juan M; Toma, Francesca M; Borghetti, Patrizia; Floreano, Luca; Verdini, Alberto; Cossaro, Albano; Pho, Toan V; Wudl, Fred; Ortega, J Enrique

    2016-01-01

    We report the interface energetics of decacyclene trianhydride (DTA) monolayers on top of two distinct model surfaces, namely, Au(111) and Ag(111). On the latter, combined valence band photoemission and X-ray absorption measurements that access the occupied and unoccupied molecular orbitals, respectively, reveal that electron transfer from substrate to surface sets in. Density functional theory calculations confirm our experimental findings and provide an understanding not only of the photoemission and X-ray absorption spectral features of this promising organic semiconductor but also of the fingerprints associated with the interface charge transfer. PMID:26651535

  18. Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.

    PubMed

    Axthammer, Quirin J; Krumm, Burkhard; Klapötke, Thomas M

    2015-06-19

    A new synthesis strategy for the preparation of energetic carbamates and nitrocarbamates starting from readily available polynitro alcohols is introduced. The efficient synthesis of mainly new carbamates was performed with the reactive chlorosulfonyl isocyanate (CSI) reagent. The carbamates were nitrated using mixed acid to form the corresponding primary nitrocarbamates. The thermal stability of all synthesized compounds was studied using differential scanning calorimetry, and the energies of formation were calculated on the CBS-4 M level of theory. Detonation parameters and propulsion properties were determined with the software package EXPLO5 V6.02. Furthermore, for all new substances single-crystal X-ray diffraction studies were performed and are presented and discussed as Supporting Information. PMID:25996052

  19. Synthesis of Energetic Nitrocarbamates from Polynitro Alcohols and Their Potential as High Energetic Oxidizers.

    PubMed

    Axthammer, Quirin J; Krumm, Burkhard; Klapötke, Thomas M

    2015-06-19

    A new synthesis strategy for the preparation of energetic carbamates and nitrocarbamates starting from readily available polynitro alcohols is introduced. The efficient synthesis of mainly new carbamates was performed with the reactive chlorosulfonyl isocyanate (CSI) reagent. The carbamates were nitrated using mixed acid to form the corresponding primary nitrocarbamates. The thermal stability of all synthesized compounds was studied using differential scanning calorimetry, and the energies of formation were calculated on the CBS-4 M level of theory. Detonation parameters and propulsion properties were determined with the software package EXPLO5 V6.02. Furthermore, for all new substances single-crystal X-ray diffraction studies were performed and are presented and discussed as Supporting Information.

  20. Popeye Project: ROV interfaces

    SciTech Connect

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

    1997-04-01

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

  1. Interface localization near criticality

    NASA Astrophysics Data System (ADS)

    Delfino, Gesualdo

    2016-05-01

    The theory of interface localization in near-critical planar systems at phase coexistence is formulated from first principles. We show that mutual delocalization of two interfaces, amounting to interfacial wetting, occurs when the bulk correlation length critical exponent ν is larger than or equal to 1. Interaction with a boundary or defect line involves an additional scale and a dependence of the localization strength on the distance from criticality. The implications are particularly rich in the boundary case, where delocalization proceeds through different renormalization patterns sharing the feature that the boundary field becomes irrelevant in the delocalized regime. The boundary delocalization (wetting) transition is shown to be continuous, with surface specific heat and layer thickness exponents which can take values that we determine.

  2. Thyra Abstract Interface Package

    2005-09-01

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

  3. The timing of wing molt in tundra swans: energetic and non-energetic constraints

    USGS Publications Warehouse

    Earnst, S.L.

    1992-01-01

    Date of wing molt initiation, based on the regression of tenth primary length on capture date, was calculated for breeding and nonbreeding Tundra Swans (Cygnus columbianus columbianus) on the Colville River Delta, Alaska. Breeding females initiated wing molt significantly later than breeding males and nonbreeding males and females; the molt of breeding females was correlated with the date on which their eggs hatched. Breeding males did not differ significantly from nonbreeding males and females in the date of molt initiation. Timing of molt in breeding males and females was consistent with the views that females delay molt while replenishing energy spent on reproduction, but was also consistent with the breeding pair's need for primaries to defend territories and to defend and brood young. Other results, including an increase in an index of female body condition throughout most of the molt period, and a positive correlation between clutch size and female hatch-to-molt interval, were not predicted by the hypothesis that past energy expenditures constrain the timing of molt. Patterns of wing molt within and among other Northern Hemisphere geese and swans are also difficult to explain on the basis of energetics alone. For example, breeding females initiate molt before breeding males in many species. Also, there is extreme asynchrony between mates in two swan species; one of those species also exhibits variation in which sex initiates wing molt first. Both patterns suggest that asynchrony, per se, is important, probably to facilitate brood protection or territory defense. In Tundra Swans and other northern breeding geese and swans, the non-energetic demands of territory defense, brood defense, and brooding are probably important constraints on the timing of wing molt.

  4. On the interface instability during rapid evaporation in microgravity

    SciTech Connect

    Juric, D.

    1997-05-01

    The rapid evaporation of a superheated liquid (vapor explosion) under microgravity conditions is studied by direct numerical simulation. The time-dependent Navier-Stokes and energy equations coupled to the interface dynamics are solved using a two-dimensional finite-difference/front-tracking method. Large interface deformations, topology change, latent heat, surface tension and unequal material properties between the liquid and vapor phases are included in the simulations. A comparison of numerical results to the exact solution of a one-dimensional test problem shows excellent agreement. For the two-dimensional rapid evaporation problem, the vapor volume growth rate and unstable interface dynamics are studied for increasing levels of initial liquid superheat. As the superheat is increased the liquid-vapor interface experiences increasingly unstable energetic growth. These results indicate that heat transfer plays a very important role in the instability mechanism leading to vapor explosions. It is suggested that the Mullins-Sekerka instability could play a role in the instability initiation mechanism.

  5. Standard interface file handbook

    SciTech Connect

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

    1992-10-01

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

  6. Virtual button interface

    DOEpatents

    Jones, Jake S.

    1999-01-01

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

  7. SNE Industrial Fieldbus Interface

    NASA Technical Reports Server (NTRS)

    Lucena, Angel; Raines, Matthew; Oostdyk, Rebecca; Mata, Carlos

    2011-01-01

    Programmable logic controllers (PLCs) have very limited diagnostic and no prognostic capabilities, while current smart sensor designs do not have the capability to communicate over Fieldbus networks. The aim is to interface smart sensors with PLCs so that health and status information, such as failure mode identification and measurement tolerance, can be communicated via an industrial Fieldbus such as ControlNet. The SNE Industrial Fieldbus Interface (SIFI) is an embedded device that acts as a communication module in a networked smart sensor. The purpose is to enable a smart sensor to communicate health and status information to other devices, such as PLCs, via an industrial Fieldbus networking protocol. The SNE (Smart Network Element) is attached to a commercial off-the-shelf Any bus-S interface module through the SIFI. Numerous Anybus-S modules are available, each one designed to interface with a specific Fieldbus. Development of the SIFI focused on communications using the ControlNet protocol, but any of the Anybus-S modules can be used. The SIFI communicates with the Any-bus module via a data buffer and mailbox system on the Anybus module, and supplies power to the module. The Anybus module transmits and receives data on the Fieldbus using the proper protocol. The SIFI is intended to be connected to other existing SNE modules in order to monitor the health and status of a transducer. The SIFI can also monitor aspects of its own health using an onboard watchdog timer and voltage monitors. The SIFI also has the hardware to drive a touchscreen LCD (liquid crystal display) unit for manual configuration and status monitoring.

  8. Systems interface biology

    PubMed Central

    Doyle, Francis J; Stelling, Jörg

    2006-01-01

    The field of systems biology has attracted the attention of biologists, engineers, mathematicians, physicists, chemists and others in an endeavour to create systems-level understanding of complex biological networks. In particular, systems engineering methods are finding unique opportunities in characterizing the rich behaviour exhibited by biological systems. In the same manner, these new classes of biological problems are motivating novel developments in theoretical systems approaches. Hence, the interface between systems and biology is of mutual benefit to both disciplines. PMID:16971329

  9. Virtual button interface

    DOEpatents

    Jones, J.S.

    1999-01-12

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

  10. Interface scattering in polycrystalline thermoelectrics

    SciTech Connect

    Popescu, Adrian; Haney, Paul M.

    2014-03-28

    We study the effect of electron and phonon interface scattering on the thermoelectric properties of disordered, polycrystalline materials (with grain sizes larger than electron and phonons' mean free path). Interface scattering of electrons is treated with a Landauer approach, while that of phonons is treated with the diffuse mismatch model. The interface scattering is embedded within a diffusive model of bulk transport, and we show that, for randomly arranged interfaces, the overall system is well described by effective medium theory. Using bulk parameters similar to those of PbTe and a square barrier potential for the interface electron scattering, we identify the interface scattering parameters for which the figure of merit ZT is increased. We find the electronic scattering is generally detrimental due to a reduction in electrical conductivity; however, for sufficiently weak electronic interface scattering, ZT is enhanced due to phonon interface scattering.

  11. The THOSE remote interface

    NASA Astrophysics Data System (ADS)

    Klawon, Kevin; Gold, Josh; Bachman, Kristen

    2013-05-01

    The DIA, in conjunction with the Army Research Lab (ARL), wants to create an Unmanned Ground Sensor (UGS) controller that is (a) interoperable across all controller platforms, (b) capable of easily adding new sensors, radios, and processes and (c) backward compatible with existing UGS systems. To achieve this, a Terra Harvest controller was created that used Java JRE 1.6 and an Open Services Gateway initiative (OSGi) platform, named Terra Harvest Open Software Environment (THOSE). OSGi is an extensible framework that provides a modularized environment for deploying functionality in "bundles". These bundles can publish, discover, and share services available from other external bundles or bundles provided by the controller core. With the addition of a web GUI used for interacting with THOSE, a natural step was then to create a common remote interface that allows 3rd party real-time interaction with the controller. This paper provides an overview of the THOSE system and its components as well as a description of the architectural structure of the remote interface, highlighting the interactions occurring between the controller and the remote interface and its role in providing a positive user experience for managing UGSS functions.

  12. Eye-voice-controlled interface

    NASA Technical Reports Server (NTRS)

    Glenn, Floyd A., III; Iavecchia, Helene P.; Ross, Lorna V.; Stokes, James M.; Weiland, William J.

    1986-01-01

    The Ocular Attention-Sensing Interface System (OASIS) is an innovative human-computer interface which utilizes eye movement and voice commands to communicate messages between the operator and the system. This report initially describes some technical issues relevant to the development of such an interface. The results of preliminary experiments which evaluate alternative eye processing algorithms and feedback techniques are presented. Candidate interface applications are also discussed.

  13. Energetic consequences of being a Homo erectus female.

    PubMed

    Aiello, Leslie C; Key, Cathy

    2002-01-01

    Body size is one of the most important characteristics of any animal because it affects a range of behavioral, ecological, and physiological traits including energy requirements, choice of food, reproductive strategies, predation risk, range size, and locomotor style. This article focuses on the implications of being large bodied for Homo erectus females, estimated to have been over 50% heavier than average australopithecine females. The energy requirements of these hominins are modeled using data on activity patterns, body mass, and life history from living primates. Particular attention is given to the inferred energetic costs of reproduction for Homo erectus females based on chimpanzee and human reproductive scheduling. Daily energy requirements during gestation and lactation would have been significantly higher for Homo erectus females, as would total energetic cost per offspring if the australopithecines and Homo erectus had similar reproductive schedules (gestation and lactation lengths and interbirth intervals). Shortening the interbirth interval could considerably reduce the costs per offspring to Homo erectus and have the added advantage of increasing reproductive output. The mother would, however, incur additional daily costs of caring for the dependent offspring. If Homo erectus females adopted this reproductive strategy, it would necessarily imply a revolution in the way in which females obtained and utilized energy to support their increased energetic requirements. This transformation is likely to have occurred on several levels involving cooperative economic division of labor, locomotor energetics, menopause, organ size, and other physiological mechanisms for reducing the energetic load on females. PMID:12203811

  14. Effects of swim training on energetics and performance.

    PubMed

    Costa, M J; Bragada, J A; Mejias, J E; Louro, H; Marinho, D A; Silva, A J; Barbosa, T M

    2013-06-01

    The aim of this study was to determine the effect of several months of training on performance and energetic profile of elite swimmers. 9 elite swimmers were evaluated at 3 different time periods during the 2010-2011 calendar. Swimming performance was assessed based on lists of times for the 200 m freestyle event. An incremental set of 7×200 m swims was applied to obtain the energetic data. Measurements and/or estimations were made for the: velocity at 4 mmol l(-1) of lactate concentrations, highest value of lactate concentrations, maximal oxygen consumption, minimum swimming velocity where the maximal oxygen consumption is reached and total energy expenditure (Etot). The performance and most of the energetic variables assessed presented no significant variations during the study period. The only exception was the Etot with significant differences between all measurements. Correlation coefficients suggested a high stability for all variables. Cohen's Kappa tracking index demonstrated high variability in the individual adaptations to training. It is concluded that elite swimmers demonstrate a slight improvement in performance and energetic profile in response to several months of training. Each subject has an individual way of adapting to the training load, combining the different energetic confounders to enhance performance. PMID:23180214

  15. Humans Can Continuously Optimize Energetic Cost during Walking.

    PubMed

    Selinger, Jessica C; O'Connor, Shawn M; Wong, Jeremy D; Donelan, J Maxwell

    2015-09-21

    People prefer to move in ways that minimize their energetic cost. For example, people tend to walk at a speed that minimizes energy use per unit distance and, for that speed, they select a step frequency that makes walking less costly. Although aspects of this preference appear to be established over both evolutionary and developmental timescales, it remains unclear whether people can also optimize energetic cost in real time. Here we show that during walking, people readily adapt established motor programs to minimize energy use. To accomplish this, we used robotic exoskeletons to shift people's energetically optimal step frequency to frequencies higher and lower than normally preferred. In response, we found that subjects adapted their step frequency to converge on the new energetic optima within minutes and in response to relatively small savings in cost (<5%). When transiently perturbed from their new optimal gait, subjects relied on an updated prediction to rapidly re-converge within seconds. Our collective findings indicate that energetic cost is not just an outcome of movement, but also plays a central role in continuously shaping it.

  16. Highly energetic compositions based on functionalized carbon nanomaterials.

    PubMed

    Yan, Qi-Long; Gozin, Michael; Zhao, Feng-Qi; Cohen, Adva; Pang, Si-Ping

    2016-03-01

    In recent years, research in the field of carbon nanomaterials (CNMs), such as fullerenes, expanded graphite (EG), carbon nanotubes (CNTs), graphene, and graphene oxide (GO), has been widely used in energy storage, electronics, catalysts, and biomaterials, as well as medical applications. Regarding energy storage, one of the most important research directions is the development of CNMs as carriers of energetic components by coating or encapsulation, thus forming safer advanced nanostructures with better performances. Moreover, some CNMs can also be functionalized to become energetic additives. This review article covers updated preparation methods for the aforementioned CNMs, with a more specific orientation towards the use of these nanomaterials in energetic compositions. The effects of these functionalized CNMs on thermal decomposition, ignition, combustion and the reactivity properties of energetic compositions are significant and are discussed in detail. It has been shown that the use of functionalized CNMs in energetic compositions greatly improves their combustion performances, thermal stability and sensitivity. In particular, functionalized fullerenes, CNTs and GO are the most appropriate candidate components in nanothermites, solid propellants and gas generators, due to their superior catalytic properties as well as facile preparation methods.

  17. Highly energetic compositions based on functionalized carbon nanomaterials

    NASA Astrophysics Data System (ADS)

    Yan, Qi-Long; Gozin, Michael; Zhao, Feng-Qi; Cohen, Adva; Pang, Si-Ping

    2016-02-01

    In recent years, research in the field of carbon nanomaterials (CNMs), such as fullerenes, expanded graphite (EG), carbon nanotubes (CNTs), graphene, and graphene oxide (GO), has been widely used in energy storage, electronics, catalysts, and biomaterials, as well as medical applications. Regarding energy storage, one of the most important research directions is the development of CNMs as carriers of energetic components by coating or encapsulation, thus forming safer advanced nanostructures with better performances. Moreover, some CNMs can also be functionalized to become energetic additives. This review article covers updated preparation methods for the aforementioned CNMs, with a more specific orientation towards the use of these nanomaterials in energetic compositions. The effects of these functionalized CNMs on thermal decomposition, ignition, combustion and the reactivity properties of energetic compositions are significant and are discussed in detail. It has been shown that the use of functionalized CNMs in energetic compositions greatly improves their combustion performances, thermal stability and sensitivity. In particular, functionalized fullerenes, CNTs and GO are the most appropriate candidate components in nanothermites, solid propellants and gas generators, due to their superior catalytic properties as well as facile preparation methods.

  18. Energetic consequences of being a Homo erectus female.

    PubMed

    Aiello, Leslie C; Key, Cathy

    2002-01-01

    Body size is one of the most important characteristics of any animal because it affects a range of behavioral, ecological, and physiological traits including energy requirements, choice of food, reproductive strategies, predation risk, range size, and locomotor style. This article focuses on the implications of being large bodied for Homo erectus females, estimated to have been over 50% heavier than average australopithecine females. The energy requirements of these hominins are modeled using data on activity patterns, body mass, and life history from living primates. Particular attention is given to the inferred energetic costs of reproduction for Homo erectus females based on chimpanzee and human reproductive scheduling. Daily energy requirements during gestation and lactation would have been significantly higher for Homo erectus females, as would total energetic cost per offspring if the australopithecines and Homo erectus had similar reproductive schedules (gestation and lactation lengths and interbirth intervals). Shortening the interbirth interval could considerably reduce the costs per offspring to Homo erectus and have the added advantage of increasing reproductive output. The mother would, however, incur additional daily costs of caring for the dependent offspring. If Homo erectus females adopted this reproductive strategy, it would necessarily imply a revolution in the way in which females obtained and utilized energy to support their increased energetic requirements. This transformation is likely to have occurred on several levels involving cooperative economic division of labor, locomotor energetics, menopause, organ size, and other physiological mechanisms for reducing the energetic load on females.

  19. Thermal safety characterization and explosion violence of energetic materials

    NASA Astrophysics Data System (ADS)

    Hsu, Peter; Hust, Gary; Pagoria, Philip; Fried, Larry

    2015-06-01

    Some energetic materials could thermally explode at fairly low temperatures (<100 C) and the violence from thermal explosion may cause a significant damage. Thus understanding the response of energetic material to thermal events is very important for the storage and handling of energetic materials. Over the last few decades, there has been considerable research effort on the thermal decomposition and thermal explosion violence of energetic materials at elevated temperatures in different sample geometries and confinements. Among them, the ODTX system is an interesting option due to its sample requirement and easiness for data modeling. It has been used since 1970s for cook-off study at LLNL. It generates 3 technical data: (1) lowest temperature at which thermal explosion would occur (threshold temperature, Til) , (2) times to thermal explosion at temperature above Til, for the calculation of activation energy and frequency factor; and (3) thermal explosion violence. In this paper, we will present some recent ODTX experimental data of several new energetic materials as well as gas pressure data at elevated temperature.

  20. Polarization Energies at Organic-Organic Interfaces: Impact on the Charge Separation Barrier at Donor-Acceptor Interfaces in Organic Solar Cells.

    PubMed

    Ryno, Sean M; Fu, Yao-Tsung; Risko, Chad; Brédas, Jean-Luc

    2016-06-22

    We probe the energetic landscape at a model pentacene/fullerene (C60) interface to investigate the interactions between positive and negative charges, which are critical to the processes of charge separation and recombination in organic solar cells. Using a polarizable force field, we find that polarization energy, i.e., the stabilization a charge feels due to its environment, is larger at the interface than in the bulk for both a positive and a negative charge. The combination of the charge being more stabilized at the interface and the Coulomb attraction between the charges results in a barrier to charge separation at the pentacene/C60 interface that can be in excess of 0.7 eV for static configurations of the donor and acceptor locations. However, the impact of molecular motions, i.e., the dynamics, at the interface at room temperature results in a distribution of polarization energies and in charge separation barriers that can be significantly reduced. The dynamic nature of the interface is thus critical, with the polarization energy distributions indicating that sites along the interface shift in time between favorable and unfavorable configurations for charge separation.

  1. Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin/C60 dyads

    NASA Astrophysics Data System (ADS)

    Olguin, Marco; Zope, Rajendra R.; Baruah, Tunna

    2013-02-01

    The charge transfer (CT) excited state energies of donor-acceptor (D/A) pairs determine the achievable open-circuit voltage of D/A-based organic solar cell devices. Changes in the relative orientation of donor-acceptor pairs at the interface influence the frontier orbital energy levels, which impacts the dissociation of bound excitons at the D/A-interface. We examine the effect of relative orientation on CT excited state energies of porphyrin-fullerene dyads. The donors studied are base- and Zn-tetraphenyl porphyrin coupled to C60 as the acceptor molecule in an end-on configuration. We compare the energetics of a few low-lying CT states for the end-on geometry to our previously calculated CT energetics of a co-facial orientation. The calculated CT excitation energies are larger for the end-on orientation in comparison to the co-facial structure by about 0.7 eV, which primarily occurs due to a decrease in exciton binding energy in going from the co-facial to the end-on orientation. Furthermore, changes in relative donor-acceptor orientation have a larger impact on the CT energies than changes in donor-acceptor distance.

  2. Energetics and magnetism of Co-doped GaN(0001) surfaces: A first-principles study

    SciTech Connect

    Qin, Zhenzhen; Xiong, Zhihua Chen, Lanli; Qin, Guangzhao

    2014-12-14

    A comprehensive first-principles study of the energetics, electronic, and magnetic properties of Co-doped GaN(0001) thin films are presented and the effect of surface structure on the magnetic coupling between Co atoms is demonstrated. It is found that Co atoms prefer to substitute the surface Ga sites in different growth conditions. In particular, a CoN/GaN interface structure with Co atoms replacing the first Ga layer is preferred under N-rich and moderately Ga-rich conditions, while CoGa{sub x}/GaN interface is found to be energetically stable under extremely Ga-rich conditions. It is worth noted that the antiferromagnetic coupling between Co atoms is favorable in clean GaN(0001) surface, but the existence of ferromagnetism would be expected to occur as Co concentration increased in Ga-bilayer GaN(0001) surface. Our study provides the theoretical understanding for experimental research on Co-doped GaN films and might promise the Co:GaN system potential applications in spin injection devices.

  3. Effect of geometrical orientation on the charge-transfer energetics of supramolecular (tetraphenyl)-porphyrin∕C60 dyads.

    PubMed

    Olguin, Marco; Zope, Rajendra R; Baruah, Tunna

    2013-02-21

    The charge transfer (CT) excited state energies of donor-acceptor (D∕A) pairs determine the achievable open-circuit voltage of D∕A-based organic solar cell devices. Changes in the relative orientation of donor-acceptor pairs at the interface influence the frontier orbital energy levels, which impacts the dissociation of bound excitons at the D∕A-interface. We examine the effect of relative orientation on CT excited state energies of porphyrin-fullerene dyads. The donors studied are base- and Zn-tetraphenyl porphyrin coupled to C60 as the acceptor molecule in an end-on configuration. We compare the energetics of a few low-lying CT states for the end-on geometry to our previously calculated CT energetics of a co-facial orientation. The calculated CT excitation energies are larger for the end-on orientation in comparison to the co-facial structure by about 0.7 eV, which primarily occurs due to a decrease in exciton binding energy in going from the co-facial to the end-on orientation. Furthermore, changes in relative donor-acceptor orientation have a larger impact on the CT energies than changes in donor-acceptor distance.

  4. Why Mineral Interfaces Matter

    NASA Astrophysics Data System (ADS)

    Putnis, Andrew; Putnis, Christine V.

    2015-04-01

    While it is obvious that reactions between a mineral and an aqueous solution take place at the mineral-fluid interface it is only relatively recently that high spatial resolution studies have demonstrated how the local structure of the mineral surface and the chemical composition of the fluid at the interface control both the short-range and the long-range consequences of mineral-fluid interaction. Long-range consequences of fluid-mineral interaction control element cycles in the earth, the formation of ore-deposits, the chemical composition of the oceans through weathering of rocks and hence climate changes. Although weathering is clearly related to mineral dissolution, to what extent do experimentally measured dissolution rates of minerals help to understand weathering, especially weathering mechanisms? This question is related to the short-range, local reactions that take place when a mineral, that is not stable in the fluid, begins to dissolve. In this case the fluid composition at the interface will become supersaturated with respect to a different phase or phases. This may be a different composition of the same mineral e.g. a Ca-rich feldspar dissolving in a Na-rich solution results in a fluid at the interface which may be supersaturated with respect to an Na-rich feldspar. Alternatively, the interfacial fluid could be supersaturated with respect to a different mineral e.g. an Na-rich zeolite, depending on the temperature. Numerous experiments have shown that the precipitation of a more stable phase at the mineral-fluid interface results in a coupling between the dissolution and the precipitation, and the replacement of one mineral by another. This process separates the short-range mechanisms which depend only on the composition of the interfacial solution, and the long-range consequences that depend on the composition of the residual fluid released from the reacting parent mineral. Typically such residual fluids may carry metal ions tens to hundreds of

  5. Programable Interface Handles Many Peripherals

    NASA Technical Reports Server (NTRS)

    Jasinski, M.

    1982-01-01

    Microprocessor-based interface simplifies interconnection of peripheral device with common memory of network of minicomputers. Interface consists of microprocessor, bidirectional port that connects to common memory, bidirectional port that connects to user-selected peripheral, and asynchronous serial communications port. Programable interface is based around 6800 microprocessor. It is assembled from 90 integrated circuits.

  6. Thesaurus-Enhanced Search Interfaces.

    ERIC Educational Resources Information Center

    Shiri, Ali Asghar; Revie, Crawford; Chowdhury, Gobinda

    2002-01-01

    Discussion of user interfaces to information retrieval systems focuses on interfaces that incorporate thesauri as part of their searching and browsing facilities. Discusses research literature related to information searching behavior, information retrieval interface evaluation, search term selection, and query expansion; and compares thesaurus…

  7. Graphic Interfaces and Online Information.

    ERIC Educational Resources Information Center

    Percival, J. Mark

    1990-01-01

    Discusses the growing importance of the use of Graphic User Interfaces (GUIs) with microcomputers and online services. Highlights include the development of graphics interfacing with microcomputers; CD-ROM databases; an evaluation of HyperCard as a potential interface to electronic mail and online commercial databases; and future possibilities.…

  8. NANOSTRUCTURE PATTERNING UNDER ENERGETIC PARTICLE BEAM IRRADIATION

    SciTech Connect

    Wang, Lumin; Lu, Wei

    2013-01-31

    Energetic ion bombardment can lead to the development of complex and diverse nanostructures on or beneath the material surface through induced self-organization processes. These self-organized structures have received particular interest recently as promising candidates as simple, inexpensive, and large area patterns, whose optical, electronic and magnetic properties are different from those in the bulk materials [1-5]. Compared to the low mass efficiency production rate of lithographic methods, these self-organized approaches display new routes for the fabrication of nanostructures over large areas in a short processing time at the nanoscale, beyond the limits of lithography [1,4]. Although it is believed that surface nanostructure formation is based on the morphological instability of the sputtered surface, driven by a kinetic balance between roughening and smoothing actions [6,7], the fundamental mechanisms and experimental conditions for the formation of these nanostructures has still not been well established, the formation of the 3-D naopatterns beneath the irradiated surface especially needs more exploration. During the last funding period, we have focused our efforts on irradiation-induced nanostructures in a broad range of materials. These structures have been studied primarily through in situ electron microscopy during electron or ion irradiation. In particular, we have performed studies on 3-D void/bubble lattices (in metals and CaF2), embedded sponge-like porous structure with uniform nanofibers in irradiated semiconductors (Ge, GaSb, and InSb), 2-D highly ordered pattern of nanodroplets (on the surface of GaAs), hexagonally ordered nanoholes (on the surface of Ge), and 1-D highly ordered ripple and periodic arrays (of Cu nanoparticles) [3,8-11]. The amazing common feature in those nanopatterns is the uniformity of the size of nanoelements (nanoripples, nanodots, nanovoids or nanofibers) and the distance separating them. Our research focuses on the

  9. Schottky barriers and interface structure at silicide-silicon interfaces

    NASA Astrophysics Data System (ADS)

    Matthai, C. C.; Rees, N. V.; Shen, T. H.

    Schottky barriers at metal-semiconductor interfaces have attracted much interest in recent years. One of the principal interests has centred on the mechanism for Fermi level pinning. The sililcide-silicon interface has been proposed as a system which is described by the metal induced gap states model. We have performed calculations on the NiSi 2/Si(111) type A and type B interfaces as well as the NiSi 2/Si(100) interface. In addition we have also studied the CoSi 2/Si interface. For the NiSi 2/Si(111) interface, we have further investigated the influence of point defects and hydrostatic pressure on the Schottky barrier height. Based on the results of our calculations we conclude that these interfaces do indeed subscribe to the MIGS model. We also present the results of some total energy calculations and discuss these with experimental observations.

  10. Shubnikov-de Haas oscillations in a new dual-layered quasi-two-dimensional organic metal (BETS)4CoBr4(C6H4Cl2)

    NASA Astrophysics Data System (ADS)

    Lyubovskii, R. B.; Pesotskii, S. I.; Shilov, G. V.; Zhilyaeva, E. I.; Flakina, A. M.; Lyubovskaya, R. N.

    2013-10-01

    The interlayer and intralayer resistances and Shubnikov-de Haas oscillations in a new dual-layered quasi-two-dimensional organic metal (BETS)4CoBr4(C6H4Cl2) with a periodically varying structure of cation layers have been studied. It has been shown that the interlayer resistivity corresponds to an incoherent or weakly incoherent transport regime. The oscillations of the magnetoresistance have been described by a model of a chain of coherent magnetic breakdown orbits taking into account the quantum interference effect. The behavior of the interlayer transport, as well as quantum oscillations, is in good agreement with the theoretical calculations of the band structure.

  11. The source of multi spectral energy of solar energetic electron

    SciTech Connect

    Herdiwijaya, Dhani

    2015-04-16

    We study the solar energetic electron distribution obtained from ACE and GOES satellites which have different altitudes and electron spectral energy during the year 1997 to 2011. The electron spectral energies were 0.038–0.315 MeV from EPAM instrument onboard ACE satellite and >2 MeV from GOES satellite. We found that the low electron energy has no correlation with high energy. In spite of we have corrected to the altitude differences. It implied that they originated from time dependent events with different sources and physical processes at the solar atmosphere. The sources of multi spectral energetic electron were related to flare and CME phenomena. However, we also found that high energetic electron comes from coronal hole.

  12. Effect of Energetic Electrons on Quiet Auroral Arc Formation

    NASA Astrophysics Data System (ADS)

    Hasegawa, Hiroki; Ohno, Nobuaki; Sato, Tetsuya

    2010-11-01

    The theory of feedback instability between the magnetosphere and ionosphere is believed as one of the candidate to explain the formation of quiet auroral arc. Then, some magneto-hydro- dynamics simulations showed the arc formation by this macroscopic instability, while the effect of auroral energetic electrons on the arc formation was neglected or given as a macroscopic parameter in these simulations. On the other hand, because of the recent development of particle simulations, auroral energetic electrons are thought to be produced by the super ion-acoustic double layer that should be created by microscopic instability. To make close investigation of auroral arc formation, it is necessary to consider the interaction with microscopic instability. In this paper, we numerically study the effect of energetic electrons on quiet auroral arc formation by means of the Macro-Micro Interlocked simulation.

  13. Injector nozzle for molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, William A.; Upadhye, Ravindra S.

    1996-01-01

    An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath.

  14. Injector nozzle for molten salt destruction of energetic waste materials

    DOEpatents

    Brummond, W.A.; Upadhye, R.S.

    1996-02-13

    An injector nozzle has been designed for safely injecting energetic waste materials, such as high explosives, propellants, and rocket fuels, into a molten salt reactor in a molten salt destruction process without premature detonation or back burn in the injection system. The energetic waste material is typically diluted to form a fluid fuel mixture that is injected rapidly into the reactor. A carrier gas used in the nozzle serves as a carrier for the fuel mixture, and further dilutes the energetic material and increases its injection velocity into the reactor. The injector nozzle is cooled to keep the fuel mixture below the decomposition temperature to prevent spontaneous detonation of the explosive materials before contact with the high-temperature molten salt bath. 2 figs.

  15. Novel Highly Energetic Pyrazoles: N-Trinitromethyl-Substituted Nitropyrazoles.

    PubMed

    Dalinger, Igor L; Vatsadze, Irina A; Shkineva, Tatyana K; Kormanov, Alexandr V; Struchkova, Marina I; Suponitsky, Kyrill Yu; Bragin, Anatoly A; Monogarov, Konstantin A; Sinditskii, Valery P; Sheremetev, Aleksei B

    2015-09-01

    A new family of energetic compounds, nitropyrazoles bearing a trinitromethyl moiety at the nitrogen atom of the heterocycle, was designed. The desirable high-energy dense oxidizers 3,4-dinitro- and 3,5-dinitro-1-(trinitromethyl)pyrazoles were synthesized in good yields by destructive nitration of the corresponding 1-acetonylpyrazoles. All of the prepared compounds were fully characterized by multinuclear NMR and IR spectroscopy, as well as by elemental analysis. Single-crystal X-ray diffraction studies show remarkably high density. Impact sensitivity tests and thermal stability measurements were also performed. All of the pyrazoles possess positive calculated heats of formation and exhibit promising energetic performance that is the range of 1,3,5-trinitroperhydro-1,3,5-triazine and pentaerythritol tetranitrate. The new pyrazoles exhibit positive oxygen balance and are promising candidates for new environmentally benign energetic materials.

  16. Nitroxy/azido-functionalized triazoles as potential energetic plasticizers.

    PubMed

    Tang, Yongxing; Shreeve, Jean'ne M

    2015-05-01

    The synthesis of a series of nitroxy- and azido-functionalized compounds, based on 4-amino-3,5-di(hydroxymethyl)-1,2,4-triazole, for possible use as an energetic plasticizers is described. All compounds were fully characterized. Two of them were further confirmed by X-ray single crystal diffraction. Energetic performance was calculated by using EXPLO5 v6.01 based on calculated heats of formation (Gaussian 03) and experimentally determined densities at 25 °C. The results show that the nitration product 1-nitro-3,5-di(nitroxymethyl)-1,2,4-triazole, containing a nitro group and two nitroxy groups, exhibits good detonation properties (D=8574 m s(-1) , P=32.7 GPa). In addition, its low melting point makes it very attractive as an energetic plasticizer in solid propellants.

  17. Energetics of hydrogen bonding in proteins: a model compound study.

    PubMed Central

    Habermann, S. M.; Murphy, K. P.

    1996-01-01

    Differences in the energetics of amide-amide and amide-hydroxyl hydrogen bonds in proteins have been explored from the effect of hydroxyl groups on the structure and dissolution energetics of a series of crystalline cyclic dipeptides. The calorimetrically determined energetics are interpreted in light of the crystal structures of the studied compounds. Our results indicate that the amide-amide and amide-hydroxyl hydrogen bonds both provide considerable enthalpic stability, but that the amide-amide hydrogen bond is about twice that of the amide-hydroxyl. Additionally, the interaction of the hydroxyl group with water is seen most readily in its contributions to entropy and heat capacity changes. Surprisingly, the hydroxyl group shows weakly hydrophobic behavior in terms of these contributions. These results can be used to understand the effects of mutations on the stability of globular proteins. PMID:8819156

  18. Kinetic Simulation and Energetic Neutral Atom Imaging of the Magnetosphere

    NASA Technical Reports Server (NTRS)

    Fok, Mei-Ching H.

    2011-01-01

    Advanced simulation tools and measurement techniques have been developed to study the dynamic magnetosphere and its response to drivers in the solar wind. The Comprehensive Ring Current Model (CRCM) is a kinetic code that solves the 3D distribution in space, energy and pitch-angle information of energetic ions and electrons. Energetic Neutral Atom (ENA) imagers have been carried in past and current satellite missions. Global morphology of energetic ions were revealed by the observed ENA images. We have combined simulation and ENA analysis techniques to study the development of ring current ions during magnetic storms and substorms. We identify the timing and location of particle injection and loss. We examine the evolution of ion energy and pitch-angle distribution during different phases of a storm. In this talk we will discuss the findings from our ring current studies and how our simulation and ENA analysis tools can be applied to the upcoming TRIO-CINAMA mission.

  19. Energetics of atomic scale structure changes in graphene.

    PubMed

    Skowron, Stephen T; Lebedeva, Irina V; Popov, Andrey M; Bichoutskaia, Elena

    2015-05-21

    The presence of defects in graphene has an essential influence on its physical and chemical properties. The formation, behaviour and healing of defects are determined by energetic characteristics of atomic scale structure changes. In this article, we review recent studies devoted to atomic scale reactions during thermally activated and irradiation-induced processes in graphene. The formation energies of vacancies, adatoms and topological defects are discussed. Defect formation, healing and migration are quantified in terms of activation energies (barriers) for thermally activated processes and by threshold energies for processes occurring under electron irradiation. The energetics of defects in the graphene interior and at the edge is analysed. The effects of applied strain and a close proximity of the edge on the energetics of atomic scale reactions are overviewed. Particular attention is given to problems where further studies are required.

  20. METHOD AND APPARATUS FOR PRODUCING INTENSE ENERGETIC GAS DISCHARGES

    DOEpatents

    Bell, P.R.; Luce, J.S.

    1960-01-01

    A device for producing an energetic gas arc discharge employing the use of gas-fed hollow cathode and anode electrodes is reported. The rate of feed of the gas to the electrodes is regulated to cause complete space charge neutralization to occur within the electrodes. The arc discharge is closely fitted within at least one of the electrodes so tint the gas fed to this electrode is substantially completely ionized before it is emitted into the vacuum chamber. It is this electrode design and the axial potential gradient that exists in the arc which permits the arc to be operated in low pressures and at volthges and currents that permit the arc to be energetic. The use of the large number of energetic ions that are accelerated toward the cathode as a propulsion device for a space vehicle is set forth.

  1. Energetic salts with π-stacking and hydrogen-bonding interactions lead the way to future energetic materials.

    PubMed

    Zhang, Jiaheng; Zhang, Qinghua; Vo, Thao T; Parrish, Damon A; Shreeve, Jean'ne M

    2015-02-01

    Among energetic materials, there are two significant challenges facing researchers: 1) to develop ionic CHNO explosives with higher densities than their parent nonionic molecules and (2) to achieve a fine balance between high detonation performance and low sensitivity. We report a surprising energetic salt, hydroxylammonium 3-dinitromethanide-1,2,4-triazolone, that exhibits exceptional properties, viz., higher density, superior detonation performance, and improved thermal, impact, and friction stabilities, then those of its precursor, 3-dinitromethyl-1,2,4-triazolone. The solid-state structure features of the new energetic salt were investigated with X-ray diffraction which showed π-stacking and hydrogen-bonding interactions that contribute to closer packing and higher density. According to the experimental results and theoretical analysis, the newly designed energetic salt also gives rise to a workable compromise in high detonation properties and desirable stabilities. These findings will enhance the future prospects for rational energetic materials design and commence a new chapter in this field.

  2. Atomistic simulation of oxide dislocations and interfaces

    NASA Astrophysics Data System (ADS)

    Parker, S. C.; de Leeuw, N. H.; Harris, D. J.; Higgins, F. M.; Oliver, Pe M.; Redfern, S. E.; Watson, G. W.

    Atomistic simulation techniques have been used to study screw dislocations, grain boundaries, thin films and surfaces. The results show that the a/2<110> screw dislocations in bulk MgO and NiO are more stable than the a<100> although the latter are stabilised by vacancies. Adsorption of MgO units at the a<100> spiral dislocation shows a complicated two-layer growth mechanism. Self-diffusion through MgO grain boundaries is shown to be faster than in the bulk crystal, with pipe diffusion the energetically most favourable route. Study of thin iron oxide films on MgO found that the most stable MgO/Fe3O4 /(001) interface is an open structure with closely matching spacing between substrate Mg ions and oxygens of the film. The interaction of water with oxides MgO and SiO2 has been investigated. The dominance of the MgO surface is shown through facetting of the less stable and surfaces. The low-coordinated surface sites hence formed are the most reactive towards adsorption of water and dissolution. Similarly, α-quartz surfaces with dangling bonds are more reactive towards water and NaOH than the fully-coordinated surface sites.

  3. Productivity issues at organizational interfaces

    NASA Technical Reports Server (NTRS)

    Holland, A. W.

    1985-01-01

    The need for close interdependence between large numbers of diverse and specialized work groups makes the Space Program extremely vulnerable to loss of productivity at organizational interfaces. Trends within the program also suggest that the number and diversity of interfaces will grow in the near term. Continued maintenance of R&D excellence will require that interface performance issues be included in any future productivity improvement effort. The types and characteristics of organizational interfaces are briefly presented, followed by a review of factors which impact their productivity. Approaches to assessing and improving interface effectiveness are also discussed.

  4. Statistics of energetic electrons in the magnetotail reconnection

    NASA Astrophysics Data System (ADS)

    Zhou, Meng; Li, Tangmu; Deng, Xiaohua; Pang, Ye; Xu, Xiaojun; Tang, Rongxin; Huang, Shiyong; Li, Huimin

    2016-04-01

    Magnetic reconnection has long been regarded as an important site for producing energetic electrons in solar terrestrial and astrophysical plasmas. The motivation of this paper is to provide the average properties of energetic electrons in reconnection region, which are crucial for understanding electron energization mechanism but are rarely known. We statistically analyzed the energetic electrons through 21 magnetotail reconnection events observed by Cluster spacecraft during the years of 2001-2005. Approximately 1200 data points with time resolution of 8 s have been collected for each spacecraft. Two parameters are examined: energetic electron rate (EER) and power law index. EER, which is defined as the ratio of the integrated energetic electron flux to the lower energy electron flux, is used to quantify the electron acceleration efficiency. We find that EER and energetic electron flux (EEF) are positively correlated with the power law index, i.e., the higher rate and flux generally corresponds to softer spectrum. This unexpected correlation is probably caused by some nonadiabatic heating/acceleration mechanisms that tend to soft the spectrum with high temperature. EER is much larger within the earthward flow than the tailward flow. It is positively correlated with the outflow speed Vx, while the correlation between EER and Bz is less clear. With the increment of earthward outflow speed, the occurrence rate of high EER also monotonically increases. We find that EER generally does not increase with the increment of perpendicular electric field |E⊥|, suggesting that adiabatic betatron and Fermi acceleration probably play minor roles in electron energization during magnetotail reconnection.

  5. Conceptual Framework for Aquatic Interfaces

    NASA Astrophysics Data System (ADS)

    Lewandowski, J.; Krause, S.

    2015-12-01

    Aquatic interfaces are generally characterized by steep gradients of physical, chemical and biological properties due to the contrast between the two adjacent environments. Innovative measurement techniques are required to study the spatially heterogeneous and temporally variable processes. Especially the different spatial and temporal scales are a large challenge. Due to the steep biogeochemical gradients and the intensive structural and compositional heterogeneity, enhanced biogeochemical processing rates are inherent to aquatic interfaces. Nevertheless, the effective turnover depends strongly on the residence time distribution along the flow paths and in sections with particular biogeochemical milieus and reaction kinetics. Thus, identification and characterization of the highly complex flow patterns in and across aquatic interfaces are crucial to understand biogeochemical processing along exchange flow paths and to quantify transport across aquatic interfaces. Hydrodynamic and biogeochemical processes are closely coupled at aquatic interfaces. However, interface processing rates are not only enhanced compared to the adjacent compartments that they connect; also completely different reactions might occur if certain thresholds are exceeded or the biogeochemical milieu differs significantly from the adjacent environments. Single events, temporal variability and spatial heterogeneity might increase overall processing rates of aquatic interfaces and thus, should not be neglected when studying aquatic interfaces. Aquatic interfaces are key zones relevant for the ecological state of the entire ecosystem and thus, understanding interface functioning and controls is paramount for ecosystem management. The overall aim of this contribution is a general conceptual framework for aquatic interfaces that is applicable to a wide range of systems, scales and processes.

  6. NESSUS/NASTRAN Interface

    NASA Technical Reports Server (NTRS)

    Millwater, Harry; Riha, David

    1996-01-01

    The NESSUS probabilistic analysis computer program has been developed with a built-in finite element analysis program NESSUS/FEM. However, the NESSUS/FEM program is specialized for engine structures and may not contain sufficient features for other applications. In addition, users often become well acquainted with a particular finite element code and want to use that code for probabilistic structural analysis. For these reasons, this work was undertaken to develop an interface between NESSUS and NASTRAN such that NASTRAN can be used for the finite element analysis and NESSUS can be used for the probabilistic analysis. In addition, NESSUS was restructured such that other finite element codes could be more easily coupled with NESSUS. NESSUS has been enhanced such that NESSUS will modify the NASTRAN input deck for a given set of random variables, run NASTRAN and read the NASTRAN result. The coordination between the two codes is handled automatically. The work described here was implemented within NESSUS 6.2 which was delivered to NASA in September 1995. The code runs on Unix machines: Cray, HP, Sun, SGI and IBM. The new capabilities have been implemented such that a user familiar with NESSUS using NESSUS/FEM and NASTRAN can immediately use NESSUS with NASTRAN. In other words, the interface with NASTRAN has been implemented in an analogous manner to the interface with NESSUS/FEM. Only finite element specific input has been changed. This manual is written as an addendum to the existing NESSUS 6.2 manuals. We assume users have access to NESSUS manuals and are familiar with the operation of NESSUS including probabilistic finite element analysis. Update pages to the NESSUS PFEM manual are contained in Appendix E. The finite element features of the code and the probalistic analysis capabilities are summarized.

  7. Demilitarization and disposal technologies for conventional munitions and energetic materials

    SciTech Connect

    Lemieux, A.A.; Wheelis, W.T.; Blankenship, D.M.

    1994-09-01

    Technologies for the demilitarization and disposal of conventional munitions and energetic materials are presented. A hazard separation system has been developed to remove hazardous subcomponents before processing. Electronic component materials separation processes have been developed that provide for demilitarization as well as the efficient recycling of materials. Energetic materials demilitarization and disposal using plasma arc and molten metal technologies are currently being investigated. These regulatory compliant technologies will allow the recycling of materials and will also provide a waste form suitable for final disposal.

  8. DIFFUSION OF ENERGETIC PARTICLES IN TURBULENT MAGNETOHYDRODYNAMIC PLASMAS

    SciTech Connect

    Wisniewski, M.; Spanier, F.; Kissmann, R.

    2012-05-10

    In this paper, we investigate the transport of energetic particles in turbulent plasmas. A numerical approach is used to simulate the effect of the background plasma on the motion of energetic protons. The background plasma is in a dynamically turbulent state found from numerical magnetohydrodynamic simulations, where we use parameters typical for the heliosphere. The implications for the transport parameters (i.e., pitch-angle diffusion coefficients and mean free path) are calculated and deviations from the quasi-linear theory are discussed.

  9. Isomon instabilities driven by energetic ions in Wendelstein 7-X

    NASA Astrophysics Data System (ADS)

    Kolesnichenko, Ya. I.; Könies, A.; Lutsenko, V. V.; Drevlak, M.; Turkin, Yu.; Helander, P.

    2016-06-01

    It is found that modes of Alfvénic character affected by plasma compressibility and having equal poloidal and toroidal mode numbers (named ‘isomon modes’) can exist in W7-X. These modes, and the conditions under which they arise, are sensitive to the magnitude of the rotational transform of the field lines and the presence of energetic ions. The energetic ions produced by neutral-beam injection (having the energy 55–60 keV) interact resonantly with large-scale isomon modes (m=n\\ll 10 ), which tends to lead to instabilities extending over a large part of the plasma cross section.

  10. Energetic composites and method of providing chemical energy

    DOEpatents

    Danen, Wayne C.; Martin, Joe A.

    1997-01-01

    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.

  11. Immune response is energetically costly in white cabbage butterfly pupae.

    PubMed Central

    Freitak, Dalial; Ots, Indrek; Vanatoa, Alo; Hõrak, Peeter

    2003-01-01

    Parasite-driven coevolution has led hosts to develop a complicated and potentially costly defence machinery, consisting mainly of the immune system. Despite the evidence for the trade-offs between immune function and life-history traits, it is still obscure how the costs of using and maintaining the immune function are paid. We tested whether immune challenge is energetically costly for white cabbage butterfly (Pieris brassicae L.) diapausing pupa. Individuals challenged with nylon implant raised their standard metabolic rate nearly 8% compared to the controls. Hence, costs of activation of immune system in insect pupa can be expressed in energetic currency. PMID:14667388

  12. The acceleration and propagation of solar flare energetic particles

    NASA Technical Reports Server (NTRS)

    Forman, M. A.; Ramaty, R.; Zweibel, E. G.; Holzer, T. E. (Editor); Mihalas, D. (Editor); Sturrock, P. A. (Editor); Ulrich, R. K. (Editor)

    1982-01-01

    Observations and theories of particle acceleration in solar flares are reviewed. The most direct signatures of particle acceleration in flares are gamma rays, X-rays and radio emissions produced by the energetic particles in the solar atmosphere and energetic particles detected in interplanetary space and in the Earth's atmosphere. The implication of these observations are discussed. Stochastic and shock acceleration as well as acceleration in direct electric fields are considered. Interplanetary particle propagation is discussed and an overview of the highlights of both current and promising future research is presented.

  13. Suppression of energetic particle driven instabilities with HHFW heating

    SciTech Connect

    Fredrickson, E. D.; Taylor, G.; Bertelli, N.; Darrow, D. S.; Gorelenkov, N.; Kramer, G.; Liu, D.; Crocker, N. A.; Kubota, S.; White, R.

    2015-01-01

    In plasmas in the National Spherical Torus Experiment (NSTX) [Ono et al., Nucl. Fusion 40 (2000) 557] heated with neutral beams, the beam ions typically excite Energetic Particle Modes (EPMs or fishbones), and Toroidal, Global or Compressional Alfvén Eigenmodes (TAE, GAE, CAE). These modes can redistribute the energetic beam ions, altering the beam driven current profile and the plasma heating profile, or they may affect electron thermal transport or cause losses of the beam ions. In this paper we present experimental results where these instabilities, driven by the super-thermal beam ions, are suppressed with the application of High Harmonic Fast Wave heating.

  14. Energetic composites and method of providing chemical energy

    DOEpatents

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

    1997-02-25

    A method is described 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 figs.

  15. Energetics and dynamics of simple impulsive solar flares

    NASA Technical Reports Server (NTRS)

    Starr, R.; Heindl, W. A.; Crannell, C. J.; Thomas, R. J.; Batchelor, D. A.; Magun, A.

    1987-01-01

    Flare energetics and dynamics were studied using observations of simple impulsive spike bursts. A large, homogeneous set of events was selected to enable the most definite tests possible of competing flare models, in the absence of spatially resolved observations. The emission mechanisms and specific flare models that were considered in this investigation are described, and the derivations of the parameters that were tested are presented. Results of the correlation analysis between soft and hard X-ray energetics are also presented. The ion conduction front model and tests of that model with the well-observed spike bursts are described. Finally, conclusions drawn from this investigation and suggestions for future studies are discussed.

  16. Energetic neutrons leaking from the top of the atmosphere.

    NASA Technical Reports Server (NTRS)

    Merker, M.

    1972-01-01

    The energy, angular, and latitude distributions of energetic neutrons (up to 2 GeV) leaking from the top of the atmosphere have been calculated. The results agree with the recent measurement of Preszler, Simnett, and White, whose leakage rates were well above the calculation of Lingenfelter. Since the spectrum of Lingenfelter has served for evaluating the cosmic-ray albedo-neutron decay (CRAND) source of energetic protons in Earth's inner radiation belt, it is suggested that the results reported here be used to reevaluate the CRAND contribution.

  17. Neural interfaces at the nanoscale

    PubMed Central

    Pancrazio, Joseph J

    2008-01-01

    Bioelectrical neural interfaces provide a means of recording the activity from the nervous system and delivering therapeutic stimulation to restore neurological function lost during disease or injury. Although neural interfaces have reached clinical utility, reducing the size of the bioelectrical interface to minimize damage to neural tissue and maximize selectivity has proven problematic. Nanotechnology may offer a means of interfacing with the nervous system with unprecedented specificity. Emergent applications of nanotechnology to neuroscience include molecular imaging, drug delivery across the BBB, scaffolds for neural regeneration and bioelectrical interfaces. In particular, carbon nanotubes offer the promises of material stability and low electrical impedance at physical dimensions that could have a significant impact on the future on neural interfaces. The purpose of this review is to present recent advances in carbon nanotube-based bioelectrical interfaces for the nervous system and discuss research challenges and opportunities. PMID:19025456

  18. Adhesion at metal interfaces

    NASA Technical Reports Server (NTRS)

    Banerjea, Amitava; Ferrante, John; Smith, John R.

    1991-01-01

    A basic adhesion process is defined, the theory of the properties influencing metallic adhesion is outlined, and theoretical approaches to the interface problem are presented, with emphasis on first-principle calculations as well as jellium-model calculations. The computation of the energies of adhesion as a function of the interfacial separation is performed; fully three-dimensional calculations are presented, and universality in the shapes of the binding energy curves is considered. An embedded-atom method and equivalent-crystal theory are covered in the framework of issues involved in practical adhesion.

  19. Access Interface Strategies

    PubMed Central

    Fager, Susan; Beukelman, David R.; Fried-Oken, Melanie; Jakobs, Tom; Baker, John

    2013-01-01

    Individuals who rely on augmentative and alternative communication (AAC) devices to support their communication often have physical movement challenges that require alternative methods of access. Technology that supports access, particularly for those with the most severe movement deficits, have expanded substantially over the years. The purposes of this article are to review the state of the science of access technologies that interface with augmentative and alternative communication devices and to propose a future research and development agenda that will enhance access options for people with limited movement capability due to developmental and acquired conditions. PMID:22590797

  20. NESSUS/NASTRAN Interface

    NASA Technical Reports Server (NTRS)

    Millwater, Harry; Riha, David

    1996-01-01

    The NESSUS and NASTRAN computer codes were successfully integrated. The enhanced NESSUS code will use NASTRAN for the structural Analysis and NESSUS for the probabilistic analysis. Any quantities in the NASTRAN bulk data input can be random variables. Any NASTRAN result that is written to the output2 file can be returned to NESSUS as the finite element result. The interfacing between NESSUS and NASTRAN is handled automatically by NESSUS. NESSUS and NASTRAN can be run on different machines using the remote host option.