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Sample records for organic-metal interface energetics

  1. 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.

  2. 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)

  3. Non-coherent energetic interfaces accounting for degradation

    NASA Astrophysics Data System (ADS)

    Esmaeili, Ali; Steinmann, Paul; Javili, Ali

    2017-03-01

    Within the continuum mechanics framework, there are two main approaches to model interfaces: classical cohesive zone modeling (CZM) and interface elasticity theory. The classical CZM deals with geometrically non-coherent interfaces for which the constitutive relation is expressed in terms of traction-separation laws. However, CZM lacks any response related to the stretch of the mid-plane of the interface. This issue becomes problematic particularly at small scales with increasing interface area to bulk volume ratios, where interface elasticity is no longer negligible. The interface elasticity theory, in contrast to CZM, deals with coherent interfaces that are endowed with their own energetic structures, and thus is capable of capturing elastic resistance to tangential stretch. Nonetheless, the interface elasticity theory suffers from the lack of inelastic material response, regardless of the strain level. The objective of this contribution therefore is to introduce a generalized mechanical interface model that couples both the elastic response along the interface and the cohesive response across the interface whereby interface degradation is taken into account. The material degradation of the interface mid-plane is captured by a non-local damage model of integral-type. The out-of-plane decohesion is described by a classical cohesive zone model. These models are then coupled through their corresponding damage variables. The non-linear governing equations and the weak forms thereof are derived. The numerical implementation is carried out using the finite element method and consistent tangents are derived. Finally, a series of numerical examples is studied to provide further insight into the problem and to carefully elucidate key features of the proposed theory.

  4. Characterization of the Interface Energetics for N-Type Cadmium Selenide/Non-Aqueous Electrolyte Junctions.

    DTIC Science & Technology

    1982-08-27

    nocesOMY and Idnnti by block number) 3 Photoelectrochemistry, interfaces, photoanodes, cadmium selenide , Ii non-aqueous electrolyte junctions 82 09 1 6 00 5...REPORT NO. 35 "CHARACTERIZATION OF THE INTERFACE ENERGETICS FOR N-TYPE CADMIUM SELENIDE /NON-AQUEOUS ELECTROLYTE JUNCTIONS" by A. Aruchamy, James A

  5. Packing interface energetics in different crystal forms of the λ Cro dimer.

    PubMed

    Ahlstrom, Logan S; Miyashita, Osamu

    2014-07-01

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

  6. 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.

  7. 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

  8. 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.

  9. Spontaneous Energy Concentration in Energetic Molecules, Interfaces and Composites: Response to Ultrasound and THz Radiation

    DTIC Science & Technology

    2015-12-21

    Technical Report 3. DATES COVERED (From - To) -1 Mar 2011 to 30 Sept 2015 4. TITLE AND SUBTITLE Spontaneous energy concentration in energetic...SUPPLEMENTARY NOTES 14. ABSTRACT The effects of weak energies , THz and ultrasound, on energetic materials, was studied experimentally using laser...vibrational spectroscopies and time-resolved thermal imaging microscopy. 15. SUBJECT TERMS Ultrasound, THz radiation, energetic materials, hot spots, energy

  10. Magnetic and energetic properties of low-index Cr surfaces and Fe/Cr interfaces: A first-principles study

    NASA Astrophysics Data System (ADS)

    Soulairol, R.; Fu, Chu-Chun; Barreteau, C.

    2011-10-01

    Density functional theory calculations are performed to investigate the impact of magnetism on the energetics of low-index Cr surfaces and Fe/Cr interfaces, that is, Cr(100), Cr(110), Fe/Cr(100), and Fe/Cr(110). We have also determined the stability of various Cr magnetic structures, particularly the spin-density waves, in the presence of these surfaces and interfaces. We show that the most stable structure of the spin-density wave is mainly dictated by the subtle balance between bulk and surface/interface influences, and strongly dependent on the surface/interface orientation. Regarding the Cr surfaces, we confirm the role of magnetism to lower the surface energy of Cr(100) with respect to Cr(110). Among all the possible orientations of the wave vector, only the out-of-plane wave is found to be stable near Cr(100) surfaces with the high-moment sites located at the surface layer. At variance, the in-plane wave is shown to be the most stable one, consistent with experimental data for very thin Cr(110) films. Concerning the Fe/Cr interfaces, magnetic frustrations are identified to be responsible for a higher formation energy of Fe/Cr(110) compared to that of Fe/Cr(100). This unusual anisotropy of interface energies is clearly different from the corresponding interfaces between Cr and a nonmagnetic element, Cu. Two ways are suggested to relax partially the magnetic frustrations at the (110) interface and to lower its formation energy. Noncollinear magnetic configurations can be developed where local moments of Fe and Cr atoms are perpendicular to each other. Also, in order to preserve phase coherence, in-plane spin-density waves show a very stable magnetic structure with the nodes at the interface layer. The presence of low-moment sites at Fe/Cr(110) offer another way to relax the magnetic frustrations and lower the interfacial energy.

  11. 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.

  12. 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.

  13. 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.

  14. Interfacial energetics of globular–blood protein adsorption to a hydrophobic interface from aqueous-buffer solution

    PubMed Central

    Krishnan, Anandi; Liu, Yi-Hsiu; Cha, Paul; Allara, David; Vogler, Erwin A

    2005-01-01

    Adsorption isotherms of nine globular proteins with molecular weight (MW) spanning 10–1000 kDa confirm that interfacial energetics of protein adsorption to a hydrophobic solid/aqueous-buffer (solid–liquid, SL) interface are not fundamentally different than adsorption to the water–air (liquid–vapour, LV) interface. Adsorption dynamics dampen to a steady-state (equilibrium) within a 1 h observation time and protein adsorption appears to be reversible, following expectations of Gibbs' adsorption isotherm. Adsorption isotherms constructed from concentration-dependent advancing contact angles θa of buffered-protein solutions on methyl-terminated, self-assembled monolayer surfaces show that maximum advancing spreading pressure, Πamax, falls within a relatively narrow 10<Πamax<20mNm−1 band characteristic of all proteins studied, mirroring results obtained at the LV surface. Furthermore, Πa isotherms exhibited a ‘Traube-rule-like’ progression in MW similar to the ordering observed at the LV surface wherein molar concentrations required to reach a specified spreading pressure Πa decreased with increasing MW. Finally, neither Gibbs' surface excess quantities [Γsl−Γsv] nor Γlv varied significantly with protein MW. The ratio {[Γsl−Γsv]/Γlv}∼1, implying both that Γsv∼0 and chemical activity of protein at SL and LV surfaces was identical. These results are collectively interpreted to mean that water controls protein adsorption to hydrophobic surfaces and that the mechanism of protein adsorption can be understood from this perspective for a diverse set of proteins with very different composition. PMID:16849238

  15. 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.

  16. Ion-specific induced fluctuations and free energetics of aqueous protein hydrophobic interfaces: toward connecting to specific-ion behaviors at aqueous liquid-vapor interfaces.

    PubMed

    Cui, Di; Ou, Shuching; Peters, Eric; Patel, Sandeep

    2014-05-01

    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. B 2010 , 114 , 1954 - 1958 ). 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.

  17. Interface Energetics and Charge Carrier Density Amplification by Sn-Doping in LaAlO3/SrTiO3 Heterostructure.

    PubMed

    Nazir, Safdar; Cheng, Jianli; Behtash, Maziar; Luo, Jian; Yang, Kesong

    2015-07-08

    Tailoring the two-dimensional electron gas (2DEG) at the n-type (TiO2)(0)/(LaO)(+1) interface between the polar LaAlO3 (LAO) and nonpolar SrTiO3 (STO) insulators can potentially provide desired functionalities for next-generation low-dimensional nanoelectronic devices. Here, we propose a new approach to tune the electronic and magnetic properties in the n-type LAO/STO heterostructure (HS) system via electron doping. In this work, we modeled four types of layer doped LAO/STO HS systems with Sn dopants at different cation sites and studied their electronic structures and interface energetics by using first-principles electronic structure calculations. We identified the thermodynamic stability conditions for each of the four proposed doped configurations with respect to the undoped LAO/STO interface. We further found that the Sn-doped LAO/STO HS system with Sn at Al site (Sn@Al) is energetically most favorable with respect to decohesion, thereby strengthening the interface, while the doped HS system with Sn at La site (Sn@La) exhibits the lowest interfacial cohesion. Moreover, our results indicate that all the Sn-doped LAO/STO HS systems exhibit the n-type conductivity with the typical 2DEG characteristics except the Sn@La doped HS system, which shows p-type conductivity. In the Sn@Al doped HS model, the Sn dopant exists as a Sn(4+) ion and introduces one additional electron into the HS system, leading to a higher charge carrier density and larger magnetic moment than that of all the other doped HS systems. An enhanced charge confinement of the 2DEG along the c-axis is also found in the Sn@Al doped HS system. We hence suggest that Sn@Al doping can be an effective way to enhance the electrical conduction and magnetic moment of the 2DEG in LAO/STO HS systems in an energetically favorable manner.

  18. 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 .

  19. Interface energetics and atomic structure of epitaxial La1-xSrxCoO3 on Nb:SrTiO3

    NASA Astrophysics Data System (ADS)

    Van Overmeere, Quentin; Baniecki, John D.; Yamazaki, Takashi; Ricinschi, Dan; Aso, Hiroyuki; Miyata, Yusuke; Yamada, Hiroaki; Fujimura, Norifumi; Kataoka, Yuji; Imanaka, Yoshihiko

    2015-06-01

    The energetics at oxide semiconductor/La1-xSrxCoO3 heterojunctions, including the respective alignment of the valence and conduction bands, govern charge transfer and have to be determined for the design of future La1-xSrxCoO3-based devices. In this letter, the electronic and atomic structures of epitaxial La1-xSrxCoO3 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 LaCoO3, 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 LaCoO3 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.

  20. Energetics, bonding mechanism and electronic structure of ceramic/ceramic and metal/ceramic interfaces. Annual progress report, April 1, 1993--March 31, 1994

    SciTech Connect

    Freeman, A.J.

    1994-03-01

    Objectives were to study theory of structure of the metal/ceramic interface (heterophase ceramic interfaces), ferroelectronic materials and their epitaxially grown oxide thin films (superlattice structure), perovskites, antiferroelectric and electro-optic materials, etc.

  1. 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.

  2. 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.

  3. 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

  4. 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.

  5. 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.

  6. 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

  7. Flare energetics

    NASA Technical Reports Server (NTRS)

    Wu, S. T.; Dejager, C.; Dennis, B. R.; Hudson, H. S.; Simnett, G. M.; Strong, K. T.; Bentley, R. D.; Bornmann, P. L.; Bruner, M. E.; Cargill, P. J.

    1986-01-01

    In this investigation of flare energetics, researchers sought to establish a comprehensive and self-consistent picture of the sources and transport of energy within a flare. To achieve this goal, they chose five flares in 1980 that were well observed with instruments on the Solar Maximum Mission, and with other space-borne and ground-based instruments. The events were chosen to represent various types of flares. Details of the observations available for them and the corresponding physical parameters derived from these data are presented. The flares were studied from two perspectives, the impulsive and gradual phases, and then the results were compared to obtain the overall picture of the energics of these flares. The role that modeling can play in estimating the total energy of a flare when the observationally determined parameters are used as the input to a numerical model is discussed. Finally, a critique of the current understanding of flare energetics and the methods used to determine various energetics terms is outlined, and possible future directions of research in this area are suggested.

  8. 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

  9. 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.

  10. 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.

  11. Improving thermoelectric efficiency in organic-metal nanocomposites via extra-low thermal boundary conductance

    NASA Astrophysics Data System (ADS)

    Jin, Yansha; Nola, Sam; Pipe, Kevin P.; Shtein, Max

    2013-11-01

    In organic semiconductors, the Wiedemann-Franz law is often violated, potentially enabling independent control over electrical and thermal conductivities, as observed here with the organic-metal nanocomposites. This effect is attributed to the interface between metal particles and organic matrix materials impeding thermal transport. Thermal conductivity (kth) can be decoupled from electrical conductivity (σe) in the composite of an archetypal organic semiconductor (Copper Phthalocyanine, CuPc) and silver, with thermal boundary conductance as low as 13 MW/m2K at the interface. We show that kth decreases with volume fraction occupied by silver nanoparticles (xAg%) in the dilute limit, reaching a minimum value at a concentration xAg%(min)=18%, while σe exceeds that of the pure organic semiconductor. Further modeling indicates that ZT values of organic-inorganic nanocomposites can be potentially enhanced 10 fold around xf%(min), compared to ZT of the pure compounds. These findings suggest a novel pathway for the future design of organic thermoelectric materials.

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

    PubMed

    Xiao, Hai; Goddard, William A

    2014-09-07

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

  13. Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models.

    PubMed

    Bauer, Brad A; Zhong, Yang; Meninger, David J; Davis, Joseph E; Patel, Sandeep

    2011-04-01

    We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 and 0.6378±0.0001 g/cm(3), demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ɛ(||)) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ɛ(||) for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13 and 198.7±0.01 mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than for

  14. Phase-Transfer Energetics of Small-Molecule Alcohols Across the Water-Hexane Interface: Molecular Dynamics Simulation Using Charge Equilibration Models

    PubMed Central

    Bauer, Brad A.; Zhong, Yang; Meninger, David J.; Davis, Joseph E.; Patel, Sandeep

    2010-01-01

    We study the water-hexane interface using molecular dynamics (MD) and polarizable charge equilibration (CHEQ) force fields. Bulk densities for TIP4P-FQ water and hexane, 1.0086±0.0002 g/cm3 and 0.6378±0.0001 g/cm3, demonstrate excellent agreement with experiment. Interfacial width and interfacial tension are consistent with previously reported values. The in-plane component of the dielectric permittivity (ε∥) for water is shown to decrease from 81.7±0.04 to unity, transitioning longitudinally from bulk water to bulk hexane. ε∥ for hexane reaches a maximum in the interface, but this term represents only a small contribution to the total dielectric constant (as expected for a non-polar species). Structurally, net orientations of the molecules arise in the interfacial region such that hexane lies slightly parallel to the interface and water reorients to maximize hydrogen bonding. Interfacial potentials due to contributions of the water and hexane are calculated to be -567.9±0.13mV and 198.7±0.01mV, respectively, giving rise to a total potential in agreement with the range of values reported from previous simulations of similar systems. Potentials of mean force (PMF) calculated for methanol, ethanol, and 1-propanol for the transfer from water to hexane indicate an interfacial free energy minimum, corresponding to the amphiphilic nature of the molecules. The magnitudes of transfer free energies were further characterized from the solvation free energies of alcohols in water and hexane using thermodynamic integration. This analysis shows that solvation free energies for alcohols in hexane are 0.2-0.3 kcal/mol too unfavorable, whereas solvation of alcohols in water is approximately 1 kcal/mol too favorable. For the pure hexane-water interfacial simulations, we observe a monotonic decrease of the water dipole moment to near-vacuum values. This suggests that the electrostatic component of the desolvation free energy is not as severe for polarizable models than

  15. 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.

  16. 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

  17. An Organic Metal/Silver Nanoparticle Finish on Copper for Efficient Passivation and Solderability Preservation

    NASA Astrophysics Data System (ADS)

    Wessling, Bernhard; Thun, Marco; Arribas-Sanchez, Carmen; Gleeson, Sussane; Posdorfer, Joerg; Rischka, Melanie; Zeysing, Bjoern

    2007-09-01

    For the first time, a complex formed by polyaniline (in its organic metal form) and silver has been deposited on copper in nanoparticulate form. When depositing on Cu pads of printed circuit boards it efficiently protects against oxidation and preserves its solderability. The deposited layer has a thickness of only nominally 50 nm, containing the Organic Metal (conductive polymer), polyaniline, and silver. With >90% (by volume), polyaniline (PAni) is the major component of the deposited layer, Ag is present equivalent to a 4 nm thickness. The Pani Ag complex is deposited on Cu in form of about 100 nm small particles. Morphology, electrochemical characteristics, anti-oxidation and solderability results are reported.

  18. 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.

  19. Solar Energetic Particles

    NASA Astrophysics Data System (ADS)

    Király, Péter

    Energetic particles recorded in the Earth environment and in interplanetary space have a multitude of origins, i.e. acceleration and propagation histories. At early days practically all sufficiently energetic particles were considered to have come either from solar flares or from interstellar space. Later on, co-rotating interplanetary shocks, the termination shock of the supersonic solar wind, planetary bow shocks and magnetospheres, and also coronal mass ejections (CME) were recognized as energetic particle sources. It was also recognized that less energetic (suprathermal) particles of solar origin and pick-up ions have also a vital role in giving rise to energetic particles in interplanetary disturbances. The meaning of the term "solar energetic particles" (SEP) is now somewhat vague, but essentially it refers to particles produced in disturbances fairly directly related to solar processes. Variation of intensity fluctuations with energy and with the phase of the solar cycle will be discussed. Particular attention will be given to extremes of time variation, i.e. to very quiet periods and to large events. While quiet-time fluxes are expected to shed light on some basic coronal processes, large events dominate the fluctuation characteristics of cumulated fluence, and the change of that fluctuation with energy and with the phase of the solar cycle may also provide important clues. Mainly ISEE-3 and long-term IMP-8 data will be invoked. Energetic and suprathermal particles that may never escape into interplanetary space may play an important part in heating the corona of the sun.

  20. 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.

  1. 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.

  2. Nanostructured Energetic Materials

    DTIC Science & Technology

    2006-11-01

    for the nanoenergetic composites prepared using mesoporous Fe2O3 gel, nanoparticles of WO3, MoO3, Bi2O3 , and CuO mixed with Al-nanoparticles and...used in the energetic composite. For example, in the energetic reactions of the composites containing Fe2O3, WO3, MoO3, Bi2O3 , and CuO, combined...MA), WO3 (Aldrich, WI), MoO3 and Bi2O3 (Accumet Materials, NY) and nanoparticles of Al (avg. size 80 nm with 2 nm passivation layer from

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

    NASA Astrophysics Data System (ADS)

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

    2013-04-01

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

  4. 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.

  5. Nano Engineered Energetic Materials (NEEM)

    DTIC Science & Technology

    2011-01-12

    REPORT Nano Engineered Energetic Materials (NEEM) 14 . ABSTRACT 16. SECURITY CLASSIFICATION OF: The ARO Nano Engineered Energetic Materials (NEEM) MURI...PROPELLANTS EXPLOSIVES PYROTECHNICS 34, 5, 385-393, 2009. 14 . Sabourin, JL; Yetter, RA; Parimi, S, Exploring the Effects of High Surface Area Metal...Energetic Materials, Aberdeen, MD, June 2010, "Fundamental Processes and Properties of Insensitive Energetic Materials". 14 . UIUC group (Dlott

  6. Preparation, Characterization, and Energetic Properties of Metallized Nanofibers

    DTIC Science & Technology

    2013-12-31

    post machined (drilled, milled, or Special Is~’Ue~ Applications of Hierarchical Polymer Materials from Nano to Macro Received: October 17, 2013...Iacono Se. TASK NUMBER Sf. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAMES AND ADDRESSES 8. PERFORMING ORGANIZATION REPORT Texas Technical...component in almost all conventional energetic materials, recent efforts have focused on optimizing surface interfaces affording new processing

  7. Polymorphism in Energetic Materials

    DTIC Science & Technology

    2008-01-01

    2008 NRL REVIEW 71 Polymorphism in Energetic Materials J.R. Deschamps,1 D.A. Parrish,1 and R.J. Butcher2 1Laboratory for Structure of Matter...can lead to substantial alterations in stability and performance. The authors recently reported on the crystal structures of five polymorphs of picryl...cally distinct forms. Since the properties of a solid sub- stance are determined by its composition and structure , polymorphs, although chemically

  8. Energetics of tropical hibernation.

    PubMed

    Dausmann, K H; Glos, J; Heldmaier, G

    2009-04-01

    In this field study, the energetic properties of tropical hibernation were investigated by measuring oxygen consumption and body temperature of the Malagasy primate Cheirogaleus medius in their natural hibernacula. These lemurs use tree holes with extremely varying insulation capacities as hibernacula. In poorly insulated tree holes, tree hole temperature and body temperature fluctuated strongly each day (between 12.8 and 34.4 degrees C). The metabolic rate under these conditions also showed large daily fluctuations between about 29.0 ml O(2)/h and 97.9 ml O(2)/h in parallel with changes in body temperature. In well insulated tree holes in very large trees on the other hand, tree hole temperature and body temperature remained relatively constant at about 25 degrees C. Lemurs hibernating in these tree holes showed a more constant metabolic rate at an intermediate level, but hibernation was interrupted by repeated arousals with peak metabolic rates up to 350 ml O(2)/h. The occurrence of these spontaneous arousals proved that the ability for thermoregulation persists during hibernation. Arousals were energetically costly, but much less so than in temperate and arctic hibernators. Despite the decisive influence of tree hole properties on the pattern of body temperature and metabolic rate during hibernation, the choice of the hibernaculum does not seem to be of energetic importance. The overall energetic savings by tropical hibernation amounted to about 70% as compared to the active season (31.5 vs. 114.3 kJ/d). Therefore, tropical hibernation in C. medius is an effective, well-regulated adaptive response to survive unfavourable seasons.

  9. Synthesis of Energetic Materials.

    DTIC Science & Technology

    1986-03-31

    1 ) ................... 2 2 GPC of Polyformal of Decafluorodiol ( 2 ) .......................... 4 3 GPC of Polyformal of...turn: ( 1 ) synthesis of energetic monomers and polymers, and ( 2 ) synthesis of polycyclic and adamantoid nitramines. Both tasks were continuations of...preparation of 2,2,3,3,4,4-hexafluoropentane-l,lidiol polyformal (FPF- 1 ) by the 2 step sequence shown below was reported. " HOCH2 (CF2 )3CH20H + (CH20) 3

  10. 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.

  11. 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.

  12. 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.

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

    NASA Technical Reports Server (NTRS)

    Gruntman, Michael A.

    1992-01-01

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

  14. New energetic epoxy binders

    SciTech Connect

    Jain, S.R.; Amanulla, S.

    1996-07-01

    A new class of epoxy resins having N{single_bond}N bonds in the backbone has been synthesized with a view to explore their properties as energetic binders. The N-epoxidation of bis-dicarbonylhydrazones of adipic, azelaic and sebacic dihydrazides results in the formation of viscous resins having epoxide end groups. The resins have been characterized by the elemental and end group analyses, IR and NMR spectra. Relevant properties for their use as binders in solid propellants, such as thermal stability, heat of combustion, burn rate and performance parameters of AP-based propellant systems, have been evaluated. A significant increase in the burn rate of AP-based propellants noticed, is perhaps related to the exothermicity of the binder decomposition and the reactivity of N{single_bond}N bonds with perchloric acid formed during the combustion of AP.

  15. 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

  16. 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).

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

    NASA Astrophysics Data System (ADS)

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

    2015-04-01

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

  18. 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.

  19. 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.

  20. "Energetics of Nanomaterials"

    SciTech Connect

    Professor Alexandra Navrotsky

    2005-01-31

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

  1. 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.

  2. 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 ...

  3. Photodecomposition of energetic nitro compounds

    SciTech Connect

    Mialocq, J.C.

    1989-03-14

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

  4. Design of Energetic Ionic Liquids

    DTIC Science & Technology

    2009-05-12

    effectiveness of the FMO method in both providing accurate results and reducing computational requirements, timings were performed for the ionic liquid ...Technical Paper 3. DATES COVERED (From - To) 4. TITLE AND SUBTITLE 5a. CONTRACT NUMBER Design of Energetic Ionic Liquids 5b. GRANT NUMBER 5c...Design of Energetic Ionic Liquids challenge project is to address several key technical issues and challenges associated with the characterization

  5. 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.

  6. 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.

  7. 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.

  8. Mitochondrial Energetics and Therapeutics

    PubMed Central

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

    2011-01-01

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

  9. 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.

  10. Armor Solutions for Energetic & Non-Energetic Novel Defeat Mechanisms

    DTIC Science & Technology

    2015-07-28

    Aircraft Platform Interface Missions, and Aircraft Launch and Recovery Equipment (ALRE) 15. SUBJECT TERMS 16. SECURITY CLASSIFICATION OF: 17...NAVAIR to include Naval Aircraft, Aircraft Platform Interface Missions, and Aircraft Launch and Recovery Equipment (ALRE). Current Status...Interface Missions, and Aircraft Launch and Recovery Equipment (ALRE) 2. Is this technology an extension of a previous DOTC agreement or contract: No

  11. 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.

  12. 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

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

    PubMed

    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. Corresponding to structural energies of metal-nitride interfaces, the linear elasticity analysis predicts characteristics of interfacial misfit dislocations at metal-nitride interfaces.

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

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

    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.

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

    DOE PAGES

    Yadav, S. K.; Shao, S.; Wang, J.; ...

    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

  16. 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.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. 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.

  2. Energetic costs of cellular computation.

    PubMed

    Mehta, Pankaj; Schwab, David J

    2012-10-30

    Cells often perform computations in order to respond to environmental cues. A simple example is the classic problem, first considered by Berg and Purcell, of determining the concentration of a chemical ligand in the surrounding media. On general theoretical grounds, it is expected that such computations require cells to consume energy. In particular, Landauer's principle states that energy must be consumed in order to erase the memory of past observations. Here, we explicitly calculate the energetic cost of steady-state computation of ligand concentration for a simple two-component cellular network that implements a noisy version of the Berg-Purcell strategy. We show that learning about external concentrations necessitates the breaking of detailed balance and consumption of energy, with greater learning requiring more energy. Our calculations suggest that the energetic costs of cellular computation may be an important constraint on networks designed to function in resource poor environments, such as the spore germination networks of bacteria.

  3. Energetic costs of cellular computation

    PubMed Central

    Mehta, Pankaj; Schwab, David J.

    2012-01-01

    Cells often perform computations in order to respond to environmental cues. A simple example is the classic problem, first considered by Berg and Purcell, of determining the concentration of a chemical ligand in the surrounding media. On general theoretical grounds, it is expected that such computations require cells to consume energy. In particular, Landauer’s principle states that energy must be consumed in order to erase the memory of past observations. Here, we explicitly calculate the energetic cost of steady-state computation of ligand concentration for a simple two-component cellular network that implements a noisy version of the Berg–Purcell strategy. We show that learning about external concentrations necessitates the breaking of detailed balance and consumption of energy, with greater learning requiring more energy. Our calculations suggest that the energetic costs of cellular computation may be an important constraint on networks designed to function in resource poor environments, such as the spore germination networks of bacteria. PMID:23045633

  4. Cardiac energetics: sense and nonsense.

    PubMed

    Gibbs, Colin L

    2003-08-01

    1. The background to current ideas in cardiac energetics is outlined and, in the genomic era, the need is stressed for detailed knowledge of mouse heart mechanics and energetics. 2. The mouse heart is clearly different to the rat in terms of its excitation-contraction (EC) coupling and the common assumption that heart rate difference between mice and humans will account for the eightfold difference in myocardial oxygen consumption is wrong, because the energy per beat of the mouse heart is approximately one-third that of the human heart. 3. In vivo evidence suggests that there may well be an eightfold species difference in the non-beating metabolism of mice and human hearts. It is speculated that the magnitude of basal metabolism in the heart is regulatable and that, in the absence of perfusion, it falls to approximately one-quarter of its in vivo rate and that in clinical conditions, such as hibernation, it probably decreases; its magnitude may be controlled by the endothelium. 4. The active energy balance sheet is briefly discussed and it is suggested that the activation heat accounts for 20-25% of the active energy per beat and cross-bridge turnover accounts for the balance. It is argued that force, not shortening, is the major determinant of cardiac energy usage. 5. The outcome of recent cardiac modelling with variants of the Huxley and Hill/Eisenberg models is described. It has been necessary to invoke 'loose coupling' to replicate the low cardiac energy flux measured at low afterloads (medium to high velocities of shortening). 6. Lastly, some of the unexplained or 'nonsense' energetic data are outlined and eight unsolved problems in cardiac energetics are discussed.

  5. Process for preparing energetic materials

    DOEpatents

    Simpson, Randall L [Livermore, CA; Lee, Ronald S [Livermore, CA; Tillotson, Thomas M [Tracy, CA; Hrubesh, Lawrence W [Pleasanton, CA; Swansiger, Rosalind W [Livermore, CA; Fox, Glenn A [Livermore, CA

    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.

  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. Energetic ions in ITER plasmas

    SciTech Connect

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

    2015-02-15

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

  8. Energetic Charged Particles Above Thunderclouds

    NASA Astrophysics Data System (ADS)

    Füllekrug, Martin; Diver, Declan; Pinçon, Jean-Louis; Phelps, Alan D. R.; Bourdon, Anne; Helling, Christiane; Blanc, Elisabeth; Honary, Farideh; Harrison, R. Giles; Sauvaud, Jean-André; Renard, Jean-Baptiste; Lester, Mark; Rycroft, Michael; Kosch, Mike; Horne, Richard B.; Soula, Serge; Gaffet, Stéphane

    2013-01-01

    The French government has committed to launch the satellite TARANIS to study transient coupling processes between the Earth's atmosphere and near-Earth space. The prime objective of TARANIS is to detect energetic charged particles and hard radiation emanating from thunderclouds. The British Nobel prize winner C.T.R. Wilson predicted lightning discharges from the top of thunderclouds into space almost a century ago. However, new experiments have only recently confirmed energetic discharge processes which transfer energy from the top of thunderclouds into the upper atmosphere and near-Earth space; they are now denoted as transient luminous events, terrestrial gamma-ray flashes and relativistic electron beams. This meeting report builds on the current state of scientific knowledge on the physics of plasmas in the laboratory and naturally occurring plasmas in the Earth's atmosphere to propose areas of future research. The report specifically reflects presentations delivered by the members of a novel Franco-British collaboration during a meeting at the French Embassy in London held in November 2011. The scientific subjects of the report tackle ionization processes leading to electrical discharge processes, observations of transient luminous events, electromagnetic emissions, energetic charged particles and their impact on the Earth's atmosphere. The importance of future research in this area for science and society, and towards spacecraft protection, is emphasized.

  9. 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

  10. Emission and Dynamics of Charge Carriers in Uncoated and Organic/Metal Coated Semiconductor Nanowires

    NASA Astrophysics Data System (ADS)

    Kaveh Baghbadorani, Masoud

    In this dissertation, the dynamics of excitons in hybrid metal/organic/nanowire structures possessing nanometer thick deposited molecular and metal films on top of InP and GaAs nanowire (NW) surfaces were investigated. Optical characterizations were carried out as a function of the semiconductor NW material, design, NW size and the type and thickness of the organic material and metal used. Hybrid organic and plasmonic semiconductor nanowire heterostructures were fabricated using organic molecular beam deposition technique. I investigated the photon emission of excitons in 150 nm diameter polytype wurtzite/zincblende InP NWs and the influence of a few ten nanometer thick organic and metal films on the emission using intensity- and temperature-dependent time-integrated and time resolved (TR) photoluminescence (PL). The plasmonic NWs were coated with an Aluminum quinoline (Alq3) interlayer and magnesium-silver (Mg0.9:Ag0.1) top layer. In addition, the nonlinear optical technique of heterodyne four-wave mixing was used (in collaboration with Prof. Wolfgang Langbein, University of Cardiff) to study incoherent and coherent carrier relaxation processes on bare nanowires on a 100 femtosecond time-scale. Alq3 covered NWs reveal a stronger emission and a longer decay time of exciton transitions indicating surface state passivation at the Alq3/NW interface. Alq3/Mg:Ag NWs reveal a strong quenching of the exciton emission which is predominantly attributed to Forster energy-transfer from excitons to plasmon oscillations in the metal cluster film. Changing the Mg:Ag to gold and the organic Alq3 spacer layer to PTCDA leads to a similar behavior, but the PL quenching is strongly increased. The observed behavior is attributed to a more continuous gold deposition leading to an increased Forster energy transfer and to a metal induced band-bending. I also investigated ensembles of bare and gold/Alq3 coated GaAs-AlGaAs-GaAs core shell NWs of 130 nm diameter. Plasmonic NWs with Au

  11. Mesoscale Modeling of Energetic Materials

    DTIC Science & Technology

    2014-10-23

    This briefing represents interim progress towards these goals. 15. SUBJECT TERMS Heterogeneous explosives , Mesoscale dynamics, Level set method...High  Explosives  Research and Development Branch (RWME) – Damage Mechanisms Branch (RWMW) • Goal: Predict survivability of energetic payload of high...the mechanical  behavior of simple  explosive – Pristine – Damaged • Performed simulations on mechanical RVE’s – From XCMT – Idealized • Developed and

  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. Dynamic Deformation Properties of Energetic Composite Materials

    DTIC Science & Technology

    2002-12-01

    the dynamic mechanical properties and detonation of energetic materials. It also included some preliminary data on the effect of particle size on the...study of the dynamic mechanical properties and detonation of energetic materials. It also included some preliminary data on the effect of particle size...qualitative only. 33 5. DEFLAGRATION-TO- DETONATION (DDT) STUDIES As part of an on-going programme to investigate the properties of ultrafine energetic

  14. Multiphase Combustion of Metalized Nanocomposite Energetic Materials

    DTIC Science & Technology

    2014-12-19

    2013 08/21/2013 08/21/2013 12/19/2014 12/19/2014 Received Paper Shawn C. Stacy, Michelle L. Pantoya. Laser Ignition of Nano -Composite Energetic Loose...Chaudhuri. Linking Molecular Level Chemistry to Macroscopic Combustion Behavior for Nano -energetic Materials with Halogen Containing Oxides, Journal...Keerti Kappagantula, Michelle L. Pantoya, Emily M. Hunt. Impact ignition of aluminum-teflon based energetic materials impregnated with nano

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

    PubMed

    Kitadai, Norio

    2015-12-01

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

  16. 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.

  17. Correlating Structural and Energetic Changes in Glycine Receptor Activation*

    PubMed Central

    Scott, Suzanne; Lynch, Joseph W.; Keramidas, Angelo

    2015-01-01

    Pentameric ligand-gated ion channels (pLGICs) mediate fast chemoelectrical transduction in the nervous system. The mechanism by which the energy of ligand binding leads to current-conducting receptors is poorly understood and may vary among family members. We addressed these questions by correlating the structural and energetic mechanisms by which a naturally occurring M1 domain mutation (α1Q−26′E) enhances receptor activation in homo- and heteromeric glycine receptors. We systematically altered the charge of spatially clustered residues at positions 19′ and 24′, in the M2 and M2-M3 linker domains, respectively, which are known to be critical to efficient receptor activation, on a background of α1Q−26′E. Changes in the durations of single receptor activations (clusters) and conductance were used to determine interaction coupling energies, which we correlated with conformational displacements as measured in pLGIC crystal structures. Presence of the α1Q−26′E enhanced cluster durations and reduced channel conductance in homo- and heteromeric receptors. Strong coupling between α1−26′ and α119′ across the subunit interface suggests an important role in receptor activation. A lack of coupling between α1−26′ and α124′ implies that 24′ mutations disrupt activation via other interactions. A similar lack of energetic coupling between α1−26′ and reciprocal mutations in the β subunit suggests that this subunit remains relatively static during receptor activation. However, the channel effects of α1Q−26′E on α1β receptors suggests at least one α1-α1 interface per pentamer. The coupling-energy change between α1−26′ and α119′ correlates with a local structural rearrangement essential for pLGIC activation, implying it comprises a key energetic pathway in activating glycine receptors and other pLGICs. PMID:25572390

  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. 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.

  20. Hosting anions. The energetic perspective.

    PubMed

    Schmidtchen, Franz P

    2010-10-01

    Hosting anions addresses the widely spread molecular recognition event of negatively charged species by dedicated organic compounds in condensed phases at equilibrium. The experimentally accessible energetic features comprise the entire system including the solvent, any buffers, background electrolytes or other components introduced for e.g. analysis. The deconvolution of all these interaction types and their dependence on subtle structural variation is required to arrive at a structure-energy correlation that may serve as a guide in receptor construction. The focus on direct host-guest interactions (lock-and-key complementarity) that have dominated the binding concepts of artificial receptors in the past must be widened in order to account for entropic contributions which constitute very significant fractions of the total free energy of interaction. Including entropy necessarily addresses the ambiguity and fuzziness of the host-guest structural ensemble and requires the appreciation of the fact that most liquid phases possess distinct structures of their own. Apparently, it is the perturbation of the intrinsic solvent structure occurring upon association that rules ion binding in polar media where ions are soluble and abundant. Rather than specifying peculiar structural elements useful in anion binding this critical review attempts an illumination of the concepts and individual energetic contributions resulting in the final observation of specific anion recognition (95 references).

  1. 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.

  2. Anisotropic decomposition of energetic materials

    SciTech Connect

    Pravica, Michael; Quine, Zachary; Romano, Edward; Bajar, Sean; Yulga, Brian; Yang Wenge; Hooks, Daniel

    2007-12-12

    Using a white x-ray synchrotron beam, we have dynamically studied radiation-induced decomposition in single crystalline PETN and TATB. By monitoring the integrated intensity of selected diffraction spots via a CCD x-ray camera as a function of time, we have found that the decomposition rate varies dramatically depending upon the orientation of the crystalline axes relative to polarized x-ray beam and for differing diffracting conditions (spots) within the same crystalline orientation. We suggest that this effect is due to Compton scattering of the polarized x-rays with electron clouds that is dependent upon their relative orientation. This novel effect may yield valuable insight regarding anisotropic detonation sensitivity in energetic materials such as PETN.

  3. 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.

  4. Destruction of Energetic Materials in Supercritical Water

    DTIC Science & Technology

    2002-06-25

    THERMOCHEMISTRY OF ENERGETIC MATERIALS IN SUPERCRITICAL WATER...fringe spacing is 13.5 µm and the acoustic signal period is 28.3 ns. 138 SECTION VI THERMOCHEMISTRY OF ENERGETIC MATERIALS IN...validation calculation studied the solvation free energies of alkali–chloride ion pairs in liquid water. Such information can teach us about the

  5. 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.

  6. Energetics and the immune system

    PubMed Central

    Reiches, Meredith W.; Prentice, Andrew M.; Moore, Sophie E.; Ellison, Peter T.

    2017-01-01

    Abstract Background and objectives: The human immune system is an ever-changing composition of innumerable cells and proteins, continually ready to respond to pathogens or insults. The cost of maintaining this state of immunological readiness is rarely considered. In this paper we aim to discern a cost to non-acute immune function by investigating how low levels of C-reactive protein (CRP) relate to other energetic demands and resources in adolescent Gambian girls. Methodology: Data from a longitudinal study of 66 adolescent girls was used to test hypotheses around investment in immune function. Non-acute (under 2 mg/L) CRP was used as an index of immune function. Predictor variables include linear height velocity, adiposity, leptin, and measures of energy balance. Results: Non-acute log CRP was positively associated with adiposity (β = 0.16, P < 0.001, R2 = 0.17) and levels of the adipokine leptin (β = 1.17, P = 0.006, R2 = 0.09). CRP was also negatively associated with increased investment in growth, as measured by height velocity (β = −0.58, P < 0.001, R2 = 0.13) and lean mass deposition β = −0.42, P = 0.005, R2 = 0.08). Relationships between adiposity and growth explained some, but not all, of this association. We do not find that CRP was related to energy balance. Conclusions and implications: These data support a hypothesis that investment in non-acute immune function is facultative, and sensitive to energetic resources and demands. We also find support for an adaptive association between the immune system and adipose tissue. PMID:28003312

  7. Femtosecond laser interaction with energetic materials

    NASA Astrophysics Data System (ADS)

    Roos, Edward V.; Benterou, Jerry J.; Lee, Ronald S.; Roseke, Frank; Stuart, Brent C.

    2002-09-01

    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.

  8. Energetic Particle Influence on the Earth's Atmosphere

    NASA Astrophysics Data System (ADS)

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

    2015-11-01

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

  9. 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.

  10. 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.

  11. 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.

  12. Interchange mode excited by trapped energetic ions

    NASA Astrophysics Data System (ADS)

    Nishimura, Seiya

    2015-07-01

    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.

  13. 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.

  14. Organic metal neutron detector

    DOEpatents

    Butler, Michael A.; Ginley, David S.

    1987-01-01

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

  15. Energetic Fermi/LAT GRB 100414A: Energetic and Correlations

    NASA Astrophysics Data System (ADS)

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

    2012-03-01

    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 src peak of 1458.7+132.6 - 106.6 keV and E iso of 34.5+2.0 - 1.8 × 1052 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 α = -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 5fdg8, 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 src peak-E iso and E src peak-E γ 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.

  16. Global Energetics of Solar Flares. IV. Coronal Mass Ejection Energetics

    NASA Astrophysics Data System (ADS)

    Aschwanden, Markus J.

    2016-11-01

    This study entails the fourth part of a global flare energetics project, in which the mass m cme, kinetic energy E kin, and the gravitational potential energy E grav of coronal mass ejections (CMEs) is measured in 399 M and X-class flare events observed during the first 3.5 years of the Solar Dynamics Observatory (SDO) mission, using a new method based on the EUV dimming effect. EUV dimming is modeled in terms of a radial adiabatic expansion process, which is fitted to the observed evolution of the total emission measure of the CME source region. The model derives the evolution of the mean electron density, the emission measure, the bulk plasma expansion velocity, the mass, and the energy in the CME source region. The EUV dimming method is truly complementary to the Thomson scattering method in white light, which probes the CME evolution in the heliosphere at r ≳ 2 R ⊙, while the EUV dimming method tracks the CME launch in the corona. We compare the CME parameters obtained in white light with the LASCO/C2 coronagraph with those obtained from EUV dimming with the Atmospheric Imaging Assembly onboard the SDO for all identical events in both data sets. We investigate correlations between CME parameters, the relative timing with flare parameters, frequency occurrence distributions, and the energy partition between magnetic, thermal, nonthermal, and CME energies. CME energies are found to be systematically lower than the dissipated magnetic energies, which is consistent with a magnetic origin of CMEs.

  17. Interface resistance

    NASA Astrophysics Data System (ADS)

    Sinkkonen, Juha

    1983-11-01

    Interface resistance is studied by using the Landauer formula which relates the resistance to the quantum mechanical transmission coefficient. A simple rederivation of the Landauer formula is given. Using a step-like potential barrier as a model for the metal-semiconductor contact an analytical expression for the effective Richardson constant is derived. As an other application the grain boundary resistance in polycrystalline semiconductors is studied. The short-range potential fluctuation associated with the grain boundary is described by a rectangular potential barrier. The results for the grain boundary limited mobility cover both the strong and weak scattering regimes.

  18. 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.

  19. 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.

  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. Cosmic Ray Energetics And Mass

    NASA Astrophysics Data System (ADS)

    Seo, Eun-Suk

    2014-08-01

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

  2. 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.

  3. 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.

  4. Energetics of the protein-DNA-water interaction

    PubMed Central

    Spyrakis, Francesca; Cozzini, Pietro; Bertoli, Chiara; Marabotti, Anna; Kellogg, Glen E; Mozzarelli, Andrea

    2007-01-01

    Background To understand the energetics of the interaction between protein and DNA we analyzed 39 crystallographically characterized complexes with the HINT (Hydropathic INTeractions) computational model. HINT is an empirical free energy force field based on solvent partitioning of small molecules between water and 1-octanol. Our previous studies on protein-ligand complexes demonstrated that free energy predictions were significantly improved by taking into account the energetic contribution of water molecules that form at least one hydrogen bond with each interacting species. Results An initial correlation between the calculated HINT scores and the experimentally determined binding free energies in the protein-DNA system exhibited a relatively poor r2 of 0.21 and standard error of ± 1.71 kcal mol-1. However, the inclusion of 261 waters that bridge protein and DNA improved the HINT score-free energy correlation to an r2 of 0.56 and standard error of ± 1.28 kcal mol-1. Analysis of the water role and energy contributions indicate that 46% of the bridging waters act as linkers between amino acids and nucleotide bases at the protein-DNA interface, while the remaining 54% are largely involved in screening unfavorable electrostatic contacts. Conclusion This study quantifies the key energetic role of bridging waters in protein-DNA associations. In addition, the relevant role of hydrophobic interactions and entropy in driving protein-DNA association is indicated by analyses of interaction character showing that, together, the favorable polar and unfavorable polar/hydrophobic-polar interactions (i.e., desolvation) mostly cancel. PMID:17214883

  5. 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.

  6. Interface standardization

    NASA Technical Reports Server (NTRS)

    Spencer, R.; Wong, V.

    1983-01-01

    Central-station applications create a large and attractive market for photovoltaics in the near future. However, some significant barriers lie between the industry of today and realization of that market. Manufacturing capacity and price are two principal impediments. The Utilities, which are the future system owners, are gaining experience with central-station PV power through the Sacramento Municipal Utility District, Hesperia and similar small central-station installations. SMUD has recognized that competition must be maintained to help reduce prices. So little standardization exists that the cost is driven upward to redefine mechanical and electrical interfaces for each vendor. New structues are required for each vendor and nonoptimum field geometries result from attempts to include more than one vendor in an array field. Standards at some hardware level are required.

  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. Applications and implications of ecological energetics.

    PubMed

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

    2014-05-01

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

  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. Energetic salt of trinitrophloroglucinol and melamine

    NASA Astrophysics Data System (ADS)

    Bowden, Patrick R.; Leonard, Philip W.; Lichthardt, Joseph P.; Tappan, Bryce C.; Ramos, Kyle J.

    2017-01-01

    We hope to harness the field of energetic co-crystals for development of insensitive, high-performing explosives. As demonstrated by other groups, co-crystals of energetic materials are diverse in their resultant properties versus the native materials. Herein, we discuss the synthesis, characterization, and testing of an energetic co-crystal of trinitrophloroglucinol (1,3,5-trihydroxy-2,4,6-trinitrobenzene) and melamine. Although melamine is not an energetic material, high nitrogen content and insensitivity can be of benefit in a co-crystal. Currently, trinitrophloroglucinol (TNPG) and melamine have been found to exist as a 1:1 ionic co-crystal. Characterization by NMR, IR, small-scale sensitivity, thermal stability and powder X-ray diffraction have all been used to characterize the individual compounds as well as the co-crystals developed.

  11. New Trends in Research of Energetic Materials

    DTIC Science & Technology

    2007-11-02

    material costs) recycling liquidation by combustion liquidation costs " safe " material usage safe disarming cost decreasing about 60-80...4. TITLE AND SUBTITLE New Trends in Research of Energetic Materials 5. FUNDING NUMBERS FA8655-04-1-5001 6. AUTHOR(S) Prof Zvatopluk Zeman...Affairs Office) 12b. DISTRIBUTION CODE A ABSTRACT (Maximum 200 words) The Final Proceedings for New Trends in Research of Energetic Materials , 20

  12. Size distributions of solar energetic particle events

    NASA Technical Reports Server (NTRS)

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

    1991-01-01

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

  13. 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.

  14. The energetics of Titan's ionosphere

    NASA Technical Reports Server (NTRS)

    Roboz, A.; Nagy, A. F.

    1994-01-01

    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.

  15. Solar Energetic Particle Spectral Breaks

    NASA Astrophysics Data System (ADS)

    Mewaldt, R.; Cohen, C.; Mason, G.; Desai, M.; Labrador, A.; Lee, M.; Li, G.

    2008-05-01

    A new generation of instruments during solar cycle 23 made it possible to measure solar energetic particle (SEP) energy spectra for many species over a broad energy interval (~0.1 to ~100 MeV/nucleon). These observations revealed that most large SEP events have power-law spectra below a few MeV/nucleon with rather hard spectral indices, followed by spectral steepening at higher energies. These spectral breaks are ordered by species - the spectra of lighter elements break at higher energy/nucleon than those for heavier species. To understand the charge-to-mass (Q/M) dependence of these spectral breaks, we have located the breaks for a range of species (e.g., H, He, C, N, O, Ne, Mg, Si, and Fe) and correlated the break locations with either measured or average Q/M ratios. As of this writing there are results for 13 large SEP events, based on data from ACE, GOES, SAMPEX, and STEREO, and charge state data from SAMPEX and ACE. We find that the location of the breaks is generally well-represented by a power-law in Q/M. This power-law fit can be related to the Q/M- dependence of the interplanetary diffusion coefficient and to the turbulence spectrum of the interplanetary magnetic field. We find that the slope of the deduced turbulence spectra are correlated with Fe/O and the proton fluence. These results support the idea that proton-amplified Alfven waves are generated in large SEP events, as expected for acceleration at parallel shocks.

  16. Theoretical studies on nitrogen rich energetic azoles.

    PubMed

    Ghule, Vikas Dasharath; Sarangapani, Radhakrishnan; Jadhav, Pandurang M; Tewari, Surya P

    2011-06-01

    Different nitro azole isomers based on five membered heterocyclics were designed and investigated using computational techniques in order to find out the comprehensive relationships between structure and performances of these high nitrogen compounds. Electronic structure of the molecules have been calculated using density functional theory (DFT) and the heat of formation has been calculated using the isodesmic reaction approach at B3LYP/6-31G* level. All designed compounds show high positive heat of formation due to the high nitrogen content and energetic nitro groups. The crystal densities of these energetic azoles have been predicted with different force fields. All the energetic azoles show densities higher than 1.87 g/cm(3). Detonation properties of energetic azoles are evaluated by using Kamlet-Jacobs equation based on the calculated densities and heat of formations. It is found that energetic azoles show detonation velocity about 9.0 km/s, and detonation pressure of 40GPa. Stability of the designed compounds has been predicted by evaluating the bond dissociation energy of the weakest C-NO(2) bond. The aromaticity using nucleus independent chemical shift (NICS) is also explored to predict the stability via delocalization of the π-electrons. Charge on the nitro group is used to assess the impact sensitivity in the present study. Overall, the study implies that all energetic azoles are found to be stable and expected to be the novel candidates of high energy density materials (HEDMs).

  17. Energetic neutral particles from Jupiter and Saturn

    NASA Technical Reports Server (NTRS)

    Cheng, A. F.

    1986-01-01

    The Voyager 1 spacecraft has detected energetic neutral particles escaping from the magnetospheres of Jupiter and Saturn. These energetic neutrals are created in charge exchange reactions between radiation belt ions and ambient atoms or molecules in the magnetosphere. If the Io torus is assumed to be the dominant Jovian source region for energetic neutrals, the Voyager observations can be used to infer upper limits to the average ion intensities there below about 200 keV. No readily interpretable in-situ measurements are available in the Io torus at these energies. The middle and outer Jovian magnetospheres may also be a significant source of energetic neutrals. At Saturn, the observed neutral particle count rates are too high to be explained by charge exchange between fast protons and H atoms of the Titan torus. Most of the energetic neutrals may be produced by charge exchanges between heavy ions and a neutral cloud containing H2O in Saturn's inner magnetosphere. If so, the Voyager measurements of energetic neutral fluxes would be the first detected emissions from this region of Saturn's magnetosphere.

  18. 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.

  19. 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.

  20. 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.

  1. 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).

  2. 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.

  3. Viewing perspective in energetic neutral atom intensity

    NASA Astrophysics Data System (ADS)

    Zheng, Yihua; Lui, Anthony T. Y.; Fok, Mei-Ching

    2008-09-01

    Through interspacecraft comparison of energetic neutral oxygen (ENO) intensity from two different vantage points provided by IMAGE and Geotail, Lui et al. (2005) showed that viewing perspective plays a very important role in the observed ENO intensity level during a magnetic storm period. Motivated by the findings of Lui et al. (2005), we investigate how viewing perspective influences energetic neutral atom emissions from a modeling perspective. The main results of this paper are that (1) our simulation results, based upon O+ ion fluxes from the Comprehensive Ring Current Model and the subsequent ENO calculation, reproduce the total differential ENO intensity obtained from two spacecraft to a reasonable degree and (2) further analysis of our results indicates that pitch angle anisotropy in ring current ion flux, a crucial physical quantity in ring current dynamics, is one major contributor to the difference in energetic neutral atom intensity from different viewing perspectives.

  4. Point defect stability in a semicoherent metallic interface

    NASA Astrophysics Data System (ADS)

    González, C.; Iglesias, R.; Demkowicz, M. J.

    2015-02-01

    We present a comprehensive density functional theory (DFT) -based study of different aspects of one vacancy and He impurity atom behavior at semicoherent interfaces between the low-solubility transition metals Cu and Nb. Such interfaces have not been previously modeled using DFT. A thorough analysis of the stability and mobility of the two types of defects at the interfaces and neighboring internal layers has been performed and the results have been compared to the equivalent cases in the pure metallic matrices. The different behavior of fcc and bcc metals on both sides of the interface has been specifically assessed. The modeling effort undertaken is the first attempt to study the stability and defect energetics of noncoherent Cu/Nb interfaces from first principles, in order to assess their potential use in radiation-resistant materials.

  5. Novel Energetic Materials for Counter WMD Applications

    DTIC Science & Technology

    2011-09-01

    derivatives Dense high nitrogen molecular and ionic materials A. Structure and synthesis of energetic salts ofN, N’ -dinitrourea (DNU) B. Impact...Engineering Data, 2008, 53(2), 520-524. Ye, C.; Gao, H.; Twamley, B.; Shreeve, J. M. " Structure and Synthesis of Energetic Salts ofN, N’ -dinitrourea...N Y (~+ ~SFs 2a-c NH2 N y ~ " N-N~ \\-sFs 4a-c Q y- N ~SFs 6a Structure and Properties ofSFs-containing Salts Cation Anion No. Td d 6

  6. Energetics of geostrophic adjustment in rotating flow

    NASA Astrophysics Data System (ADS)

    Fang, J.; Wu, R. S.

    2002-09-01

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

  7. Pulsed source of energetic atomic oxygen

    NASA Technical Reports Server (NTRS)

    Caledonia, George E.; Krech, Robert H.

    1989-01-01

    A large area, high flux beam of energetic oxygen atoms, E about 5 eV, has been developed to study the interaction of atomic oxygen with materials appropriate for spacecraft in low earth orbit. A description of the operating conditions and characteristics of the beam along with typical sample irradiation results are provided.

  8. 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...

  9. Estimating Instantaneous Energetic Cost During Gait Adaptation

    DTIC Science & Technology

    2014-08-31

    Energetic cost, in this context, refers to the input energy required to 23   power the cellular processes underlying the body’s movement. This energy is...entering the body is allowed to reach equilibrium with the rate at which cellular 57   processes are consuming it. By averaging over minutes of data

  10. 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.

  11. 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…

  12. The energetics of low browsing in sauropods

    PubMed Central

    Ruxton, Graeme D.; Wilkinson, David M.

    2011-01-01

    It has recently been argued that the probable high cost of travel for sauropod dinosaurs would have made exploiting high forage energetically attractive, if this reduced the need to travel between food patches. This argument was supported by simple calculations. Here, we take a similar approach to evaluate the energetics of foraging close to the ground. We predict that small extensions of the neck beyond the minimum required for the mouth to reach the ground bring substantial energetic savings. Each increment of length brings a further saving, but the sizes of such benefits decrease with increasing neck length. However, the observed neck length of around 9 m for Brachiosaurus (for example) is predicted to reduce the overall cost of foraging by 80 per cent, compared with a minimally necked individual. We argue that the long neck of the sauropods may have been under positive selection for low foraging (instead of, or as well as, exploitation of high foraging), if this long neck allowed a greater area of food to be exploited from a given position and thus reduced the energetically expensive movement of the whole animal. PMID:21429913

  13. Energy Harvesting from Energetic Porous Silicon

    DTIC Science & Technology

    2016-07-01

    ARL-TR-7719 ● JULY 2016 US Army Research Laboratory Energy Harvesting from Energetic Porous Silicon by Louis B Levine, Matthew...it is no longer needed. Do not return it to the originator. ARL-TR-7719 ● JULY 2016 US Army Research Laboratory Energy ...

  14. 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.

  15. 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.

  16. 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

  17. Energetic particle physics issues for ITER

    SciTech Connect

    Cheng, C.Z.; Budny, R.; Fu, G.Y.

    1996-12-31

    This paper summarizes our present understanding of the following energetic/alpha particle physics issues for the 21 MA, 20 TF coil ITER Interim Design configuration and operational scenarios: (a) toroidal field ripple effects on alpha particle confinement, (b) energetic particle interaction with low frequency MHD modes, (c) energetic particle excitation of toroidal Alfven eigenmodes, and (d) energetic particle transport due to MHD modes. TF ripple effects on alpha loss in ITER under a number of different operating conditions are found to be small with a maximum loss of 1%. With careful plasma control in ITER reversed-shear operation, TF ripple induced alpha loss can be reduced to below the nominal ITER design limit of 5%. Fishbone modes are expected to be unstable for {beta}{sub {alpha}} > 1%, and sawtooth stabilization is lost if the ideal kink growth rate exceeds 10% of the deeply trapped alpha precessional drift frequency evaluated at the q = 1 surface. However, it is expected that the fishbone modes will lead only to a local flattening of the alpha profile due to small banana size. MHD modes observed during slow decrease of stored energy after fast partial electron temperature collapse in JT-60U reversed-shear experiments may be resonant type instabilities; they may have implications on the energetic particle confinement in ITER reversed-shear operation. From the results of various TAE stability code calculations, ITER equilibria appear to lie close to TAE linear stability thresholds. However, the prognosis depends strongly on q profile and profiles of alpha and other high energy particles species. If TAE modes are unstable in ITER, the stochastic diffusion is the main loss mechanism, which scales with ({delta}B{sub r}/B){sup 2}, because of the relatively small alpha particle banana orbit size. For isolated TAE modes the particle loss is very small, and TAE modes saturate via the resonant wave-particle trapping process at very small amplitude.

  18. 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".

  19. Dynamics of the sputtering of water from ice films by collisions with energetic xenon atoms.

    PubMed

    Killelea, Daniel R; Gibson, K D; Yuan, Hanqiu; Becker, James S; Sibener, S J

    2012-04-14

    The flow of energy from the impact site of a heavy, translationally energetic xenon atom on an ice surface leads to several non-equilibrium events. The central focus of this paper is on the collision-induced desorption (sputtering) of water molecules into the gas-phase from the ice surface. Sputtering is strongly activated with respect to xenon translational energy, and a threshold for desorption was observed. To best understand these results, we discuss our findings in the context of other sputtering studies of molecular solids. The sputtering yield is quite small; differential measurements of the energy of xenon scattered from ice surfaces show that the ice efficiently accommodates the collisional energy. These results are important as they quantitatively elucidate the dynamics of such sputtering events, with implications for energetic non-equilibrium processes at interfaces.

  20. 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.

  1. 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.

  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. Exploring Ultrafast Structural Dynamics for Energetic Enhancement or Disruption

    DTIC Science & Technology

    2016-03-01

    indirect laser heating and on-resonant optical pumping, to excite/perturb the energetic material to observe changes in the electronic and molecular...time scales necessary to monitor early times of energetic events. 15. SUBJECT TERMS ultrafast, energetic, femtosecond, TATB, flash heating , transient...absorption spectra of RDX after flash heating (left) Raman spectra of RDX after flash heating (right) .............................................7

  5. Laser-induced reactions in energetic materials

    NASA Astrophysics Data System (ADS)

    Ling, Ping

    1999-07-01

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

  6. 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.

  7. 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.

  8. 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.

  9. 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.

  10. 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.

  11. Energetics of compost production and utilization

    SciTech Connect

    Diaz, L.F.; Golueke, C.G.; Savage, G.M.

    1986-09-01

    Developments during the past decade have led to a fairly clear delineation of the role of composting in municipal solid waste (MSW) management. However, before that role can be accepted and implemented on a practical scale, certain important environmental and economic factors must be resolved. Of the economic factors, the energetics of composting in waste management is in urgent need of further elaboration and exploration. This need prompted an attempt on the part of the authors of this paper to resolve basic questions regarding the energetics involved in the production and utilization of compost from urban solid waste and municipal sludges, and peripherally, the applicability of these findings to the management of other wastes (e.g., agricultural). Progress made in pursuing this attempt is described in the present paper.

  12. 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.

  13. Energetic protons from a disappearing solar filament

    NASA Technical Reports Server (NTRS)

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

    1985-01-01

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

  14. 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.

  15. Energetics in robotic flight at small scales.

    PubMed

    Karydis, Konstantinos; Kumar, Vijay

    2017-02-06

    Recent advances in design, sensing and control have led to aerial robots that offer great promise in a range of real-world applications. However, one critical open question centres on how to improve the energetic efficiency of aerial robots so that they can be useful in practical situations. This review paper provides a survey on small-scale aerial robots (i.e. less than 1 m(2) area foot print, and less than 3 kg weight) from the point of view of energetics. The paper discusses methods to improve the efficiency of aerial vehicles, and reports on recent findings by the authors and other groups on modelling the impact of aerodynamics for the purpose of building energy-aware motion planners and controllers.

  16. Mitochondrial network energetics in the heart.

    PubMed

    Aon, Miguel A; Cortassa, Sonia

    2012-01-01

    At the core of eukaryotic aerobic life, mitochondrial 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 spatiotemporal 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 behavior. 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 mitochondrial-cytoplasmic reaction/transport networks, control and regulate energy supply and demand in the heart. Under severe energy crises, the network behavior of mitochondria and associated glycolytic and other metabolic networks collapse, thereby triggering fatal arrhythmias.

  17. The energetic basis of acoustic communication.

    PubMed

    Gillooly, James F; Ophir, Alexander G

    2010-05-07

    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.

  18. Streaming energetic electrons in reconnection events

    NASA Astrophysics Data System (ADS)

    Bieber, John W.

    Energetic electrons can be used to probe the large-scale topology of magnetic fields in Earth's magnetotail. In the plasma sheet region near the tail's midplane, these particles normally exhibit the trapped or isotropic angular distributions characteristic of closed magnetic field lines, but brief intervals of intense tailward streaming, indicative of open field lines, are occasionally observed. Such streaming events occur preferentially near the time of substorm onset as the observing spacecraft exits the thinning plasma sheet, and they are usually preceded by a 5-10 minute interval of fast tailward plasma flow and southward magnetic field. These correlated phenomena have been interpreted as evidence for magnetic reconnection at a transient magnetic X-line located ˜15 RE tailward of Earth. Recent studies of energetic electron streaming events report novel reconnection-related phenomena, including heating of plasma electrons, bump-in-tail electron velocity distributions, and possible rotational and tangential magnetic discontinuities.

  19. Streaming energetic electrons in reconnection events

    NASA Astrophysics Data System (ADS)

    Bieber, J. W.

    Energetic electrons can be used to probe the large-scale topology of magnetic fields in earth's magnetotail. In the plasma sheet region near the tail's midplane, these particles normally exhibit the trapped or isotropic angular distributions characteristic of closed magnetic field lines, but brief intervals of intense tailward streaming, indicative of open field lines, are occasionally observed. Such streaming events occur preferentially near the time of substorm onset as the observing spacecraft exits the thinning plasma sheet, and they are usually preceded by a 5-10 minute interval of fast tailward plasma flow and southward magnetic field. These correlated phenomena have been interpreted as evidence for magnetic reconnection at a transient magnetic X-line located at 15 earth radii tailward of earth. Recent studies of energetic electron streaming events report novel reconnection-related phenomena, including heating of plasma electrons, bump-in-tail electron velocity distributions, and possible rotational and tangential magnetic discontinuities.

  20. 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.

  1. 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

  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. Measurement System for Energetic Materials Decomposition

    DTIC Science & Technology

    2015-01-05

    Measurement System for Energetic Materials Decomposition This DURIP grant was used to purchase: 1. Q600 SDT Simultaneous DSC-TGA 2... Decomposition Report Title This DURIP grant was used to purchase: 1. Q600 SDT Simultaneous DSC-TGA 2. Pfeiffer Vacuum Benchtop Thermostar Mass...Spectrometer 3. Vision Research Phantom V12.1-8G-M high speed camera These instruments have been used to evaluate and study decomposition and

  4. 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.

  5. 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.

  6. 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.

  7. Energetic ion composition of the plasma sheet

    SciTech Connect

    Peterson, W.K.; Sharp, R.D.; Shelley, E.G.; Johnson, R.G.; Balsiger, H.

    1981-02-01

    Data obtained from the energetic ion mass spectrometer experiment on Isee 1 in the distant plasma sheet are presented. These data show that (1) the plasma sheet has a significant and variable ionospheric component (H/sup +/ and O/sup +/) representing from 10% to more than 50% of the total number density and (2) there is more than one process responsible for the energization of solar wind plasma (H/sup +/ and He/sup + +/) to plasma sheet energies.

  8. Energetic ion composition of the plasma sheet

    NASA Technical Reports Server (NTRS)

    Peterson, W. K.; Sharp, R. D.; Shelley, E. G.; Johnson, R. G.; Balsiger, H.

    1981-01-01

    Data obtained from the energetic ion mass spectrometer experiment on Isee 1 in the distant plasma sheet are presented. These data show that (1) the plasma sheet has a significant and variable ionospheric component (H(+) and O(+)) representing from 10% to more than 50% of the total number density and (2) there is more than one process responsible for the energization of solar wind plasma (H(+) and He(++)) to plasma sheet energies.

  9. 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.

  10. 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.

  11. 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.

  12. Fundamental energetic limits of radio communication systems

    NASA Astrophysics Data System (ADS)

    Baudais, Jean-Yves

    2017-02-01

    The evaluation of the energy consumption of a radiocommunication requires to analyse the life cycle of the elements used. However, this analysis does not specify the energetic limits. Theoretical approaches allow one to draw these limits, which are known in multiple cases of information transmission. However, the answers are not always satisfactory, in particular in the case of time-varying channels. After a brief presentation of the notion of energetic limits of a radiocommunication, and beginning with a global approach, we show that, contrary to the published results, the energetic limits always differ from zero if the physical constraints are correctly expressed. xml:lang="fr" Cependant, les réponses ne sont pas toujours satisfaisantes, particulièrement dans le cas de canaux variants dans le temps. Après une rapide présentation des notions d'énergie limite d'une radiocommunication, et en commençant par une approche globale du problème, nous montrons que, contrairement aux résultats publiés, les limites énergétiques sont toujours différentes de zéro si les contraintes physiques sont correctement exprimées.

  13. 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

  14. 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.

  15. 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.

  16. 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.

  17. DLTS measurement of energetic levels, generated in silicon detectors

    NASA Astrophysics Data System (ADS)

    Bosetti, M.; Croitoru, N.; Furetta, C.; Leroy, C.; Pensotti, S.; Rancoita, P. G.; Rattaggi, M.; Redaelli, M.; Rizzatti, M.; Seidman, A.

    1995-02-01

    DLTS (deep level transient spectroscopy) measurements were performed on irradiated Si detectors to record data on the energetic levels traps generated by neutrons. For moderate fluences (φ) of neutrons ( φ < 10 12 n cm -2) electron and hole trap levels have been detected. Four electron trap levels were found for both FZ (float zone) and MCZ (magnetic Czochralsky) types of Si detectors but only two hole trap levels in FZ and one in MCZ detectors. This indicates that the type of silicon has an influence on the traps generated by irradiation. From the values obtained for the relative concentration of E1 centers in MCZ and FZ detectors, it results that the E1 centers are oxygen and not vacancy limited. Since the concentration of the E2, E3, and E4 levels are larger in FZ than in MCZ detectors, it may be assumed that the "gettering effect" can control the formation of deeper traps. Filling pulses were applied for various voltages and at the flat band filling voltage, maximum ratio of {N t}/{N} of the E1 center was achieved. This may indicate that the concentration of E1 centers, near the p +-n interface, can be larger than in the rest of the junction.

  18. 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.

  19. 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

    2014-10-03

    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.

  20. 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

    2014-10-03

    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.

  1. 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

  2. Quantization of interface currents

    SciTech Connect

    Kotani, Motoko; Schulz-Baldes, Hermann; Villegas-Blas, Carlos

    2014-12-15

    At the interface of two two-dimensional quantum systems, there may exist interface currents similar to edge currents in quantum Hall systems. It is proved that these interface currents are macroscopically quantized by an integer that is given by the difference of the Chern numbers of the two systems. It is also argued that at the interface between two time-reversal invariant systems with half-integer spin, one of which is trivial and the other non-trivial, there are dissipationless spin-polarized interface currents.

  3. 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.

  4. 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.

  5. Energetic constraints on monsoonal Hadley circulations

    NASA Astrophysics Data System (ADS)

    Merlis, T. M.; Schneider, T.; Bordoni, S.; Eisenman, I.

    2011-12-01

    The strength of monsoons is believed to have varied in the past in response to changes in the seasonal shortwave radiation distribution associated with orbital precession and is expected to vary during the coming century due to increases in greenhouse gas concentrations. Here, we examine the constraint that the moist static energy budget imposes on the response to radiative perturbations of the cross-equatorial, or monsoonal, Hadley circulations. Changes in the strength of the mass transport can occur in response to radiative perturbations, which has been frequently discussed in the past. An additional factor in the energetic balance, however, is the atmosphere's energy stratification, which is commonly known as the gross moist stability in tropical meteorology. Therefore, changes in the atmosphere's gross moist stability can play a fundamental role in determining changes in the mass transport of mean circulations. Also, the influence of spatial variations in surface heat capacity on the top-of-the-atmosphere energy balance, rather than its widely discussed role in determining surface temperature, is important in determining how radiative perturbations are energetically balanced by monsoonal Hadley circulations. We examine the importance of energetic constraints on monsoonal Hadley circulations in idealized general circulation model simulations that have either an aquaplanet slab-ocean boundary condition or a zonally symmetric subtropical continent. The radiative balance in the simulations is perturbed first by insolation variations associated with orbital precession and then by increased carbon dioxide concentration. The simulation results demonstrate that summertime changes in gross moist stability are important for understanding past and future monsoon variations.

  6. 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

  7. 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.

  8. 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.

  9. 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.

  10. A chondrule - Evidence of energetic impact unlikely

    NASA Technical Reports Server (NTRS)

    Vedder, J. F.; Gault, D. E.

    1974-01-01

    It had been concluded by Lange and Larimer (1973) that the morphology and mineralogy of an unusual chondrule from the Ngawi meteorite are the results of a highly energetic impact within the solar nebula. The evidence for this conclusion is examined. It is found that the chondrule does not show evidence of high relative velocities in the solar nebula. It is pointed out that arguments against chondrule production by impact on planetary surfaces on the basis of ejection velocities are not supported by laboratory experiments.

  11. Stimulated Emission of Energetic Particles (SEEP).

    DTIC Science & Technology

    1987-11-30

    a.... W W w w w w w I I li IJr Ir % i "f J2 I l AD-A 188 724 MLMSCD068456 For Period Ending 30 September 1987 CD Contract N00014-79-C4824 0 IC FILE...CLASSIFICATION 0 -UNCLASSIFIED/UNLIMITED [ SAME AS RPT C:" DTIC USERS UNCLASSIFIED 22a NAME OF RESPONSIBLE INDIVIDUAL 22b TELEPHONE (Include Area Code) 22c O...34---" ,. LMSC/D068456 . 0 SEEP FINAL REPORT I. OBJECTIVES OF THE SEEP PROGRAM The SEEP (Stimulated Emission of Energetic Particles) program had important

  12. Solar Energetic Particles: Acceleration and Observations

    NASA Astrophysics Data System (ADS)

    Sako, Takashi

    Research of solar energetic particles (SEPs) is important in understanding particle acceleration, transport and interactions taking place in the universe. The importance of space weather to modern human life is also increasing. In this lecture, I introduce a selected subset of SEP observations together with observation techniques and future plans. The aim is to connect these SEP observations with associated particle acceleration mechanisms and the subsequent transport and interaction processes. Because the observational properties are determined by different processes, a wide range of observations is necessary in order to fully understand the phenomena taking place. I will also give an overview of the role of the SEP studies in general astrophysics.

  13. 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.

  14. Synthesis and Characterization of Energetic Plasticizer AMDNNM

    NASA Astrophysics Data System (ADS)

    Schulze, Maxwell C.; Chavez, David E.

    2016-04-01

    The synthesis of room temperature liquid azidomethyl-dinitroxydimethyl-nitromethane (AMDNNM, 5) in 57% overall yield and its formulation with nitrocellulose (AMDNNM/NC) are described. The small-scale explosive sensitivity of neat AMDNNM was determined to be slightly more sensitive than PETN, whereas AMDNNM/NC is significantly less sensitive. Both neat AMDNNM and AMDNNM/NC have thermal stabilities similar to that of pentaerythritol tetranitrate (PETN). The explosive and chemical properties of this novel material make it a good candidate for an energetic plasticizer.

  15. Simmer analysis of prompt burst energetics experiments

    SciTech Connect

    Hitchcock, J.T.

    1982-03-01

    The Prompt Burst Energetics experiments are designed to measure the pressure behavior of fuel and coolant as working fluids during a hypothetical prompt burst disassembly in an LMFBR. The work presented in this report consists of a parametric study of PBE-5S, a fresh oxide fuel experiment, using SIMMER-II. The various pressure sources in the experiment are examined, and the dominant source identified as incondensable contaminant gasses in the fuel. The important modeling uncertainties and limitations of SIMMER-II as applied to these experiments are discussed.

  16. R&D of Energetic Ionic Liquids

    DTIC Science & Technology

    2011-11-01

    Ammonia 3-6 H2O balance Properties LMP - 103S AF-M315E Hydrazine Ispvac,lbf sec/lbm (e = 50:1 Pc = 300 psi) 252 (theor.) 235 (del) 266...92oC) is also an Energetic Ionic Liquid • ADN-based monopropellant ( LMP - 103S ) from ECAPS, Swedish Space Corporation • High performance „green...Much Effort Required in Small- Scale Safety/Hazard Evaluations Propellant AF-M315E* LMP - 103S ** Unconfined Burn Test 1 and 3: No reaction Test 2

  17. A diffuse interface approach to phase transformation via virtual melting

    NASA Astrophysics Data System (ADS)

    Momeni, Kasra

    This work represents development of the first phase field models and detailed study solid-solid transformations via intermediate melting within nanometer size interface. Such phase transformations can occur in different materials, including HMX energetic crystals, PbTiO3 nanowires, complex pharmaceutical substances, electronic and geological materials, as well as colloidal, and superhard materials. A thermodynamically consistent phase field model for three phases is developed using two polar order parameters. It includes the effect of energy and width of solid-solid and solid-melt interfaces, interaction between two solid-melt interfaces, temperature, mechanics, and interface stresses. The derived thermodynamic potential satisfies all the equilibrium and stability conditions for homogeneous phases. The HMX energetic crystal is used as the model material and numerical simulations are performed using COMSOL and Cystorm high performance computing facility. Depending on parameters, the intermediate melt may appear and disappear by continuous or discontinuous barrierless disordering or via critical nucleus due to thermal fluctuations. The intermediate melt may appear during heating and persist during cooling at temperatures well below what it follows from sharp-interface approach. For some parameters when intermediate melt is expected, it does not form, producing an intermediate melt free gap. Elastic energy promotes barrierless intermediate melt formation in terms of an increasing degree of disordering, interface velocity, and width of intermediate melt. Drastic reduction (by a factor of 16) of the energy of the critical nuclei of the intermediate melt within the solid-solid interface caused by mechanics is captured. Interfacial stresses surprisingly increase nucleation temperature for the intermediate melt. Interfacial stresses alter the kinetics of phase transformation, resulting in formation of new interfacial phases and drifting of a thermally activated spontaneous

  18. Environmentally compatible next generation green energetic materials (GEMs).

    PubMed

    Talawar, M B; Sivabalan, R; Mukundan, T; Muthurajan, H; Sikder, A K; Gandhe, B R; Rao, A Subhananda

    2009-01-30

    This paper briefly reviews the literature work reported on the environmentally compatible green energetic materials (GEMs) for defence and space applications. Currently, great emphasis is laid in the field of high-energy materials (HEMs) to increase the environmental stewardship along with the deliverance of improved performance. This emphasis is especially strong in the areas of energetic materials, weapon development, processing, and disposal operations. Therefore, efforts are on to develop energetic materials systems under the broad concept of green energetic materials (GEMs) in different schools all over the globe. The GEMs program initiated globally by different schools addresses these challenges and establishes the framework for advances in energetic materials processing and production that promote compliance with environmental regulations. This review also briefs the principles of green chemistry pertaining to HEMs, followed by the work carried out globally on environmentally compatible green energetic materials and allied ingredients.

  19. Trapped energetic ion dynamics affected by localized electric field perturbations

    NASA Astrophysics Data System (ADS)

    Nishimura, Seiya

    2016-01-01

    Trapped energetic ion orbits in helical systems are numerically simulated using the Lorentz model. Simulation results of precession drift frequencies of trapped energetic ions are benchmarked by those of analytic solutions. The effects of the electric field perturbation localized at the rational surface on trapped energetic ions are examined, where the perturbation has an arbitrary rotation frequency and an amplitude fixed in time. It is found that the trapped energetic ions resonantly interact with the perturbation, when the rotation frequency of the perturbation is comparable to the precession drift frequencies of trapped energetic ions. The simulation results are suggestive to a mechanism of the energetic-ion-induced interchange mode, which might be associated with the fishbone mode observed in helical systems.

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

    SciTech Connect

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

    2000-12-07

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

  1. 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.

  2. Segregation and redistribution of end-of-process energetic materials

    SciTech Connect

    McCabe, R.A.; Cummins, B.; Gonzalez, M.A.

    1993-03-01

    A system recovering then recycling or reusing end-of-process energetic materials has been developed at the Lawrence Livermore National Laboratory (LLNL). The system promotes separating energetic materials with high potential for reuse or recycling from those that have no further value. A feature of the system is a computerized electronic bulletin board for advertising the availability of surplus and recovered energetic materials and process chemicals to LLNL researchers, and for posting energetic materials, ``want ads.`` The system was developed and implemented to promote waste minimization and pollution prevention at LLNL.

  3. Multidimensional DDT modeling of energetic materials

    SciTech Connect

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

    1995-07-01

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

  4. 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

  5. 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.

  6. 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

  7. Solar filament eruptions and energetic particle events

    NASA Technical Reports Server (NTRS)

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

    1986-01-01

    The 1981 December 5 solar filament eruption that is associated with an energetic (E greater than 50 MeV) particle event observed at 1 AU. The eruption was photographed in H-alpha and was observed by the Solwind whitelight coronagraph on P78-1. It occurred well away from any solar active region and was not associated with an impulsive microwave burst, indicating that magnetic complexity and a detectable impulsive phase are not required for the production of a solar energetic particle (SEP) event. No metric type II or IV emission was observed, but an associated interplanetary type II burst was detected by the low-frequency radio experiment on ISEE 3. The December 5 and two other SEP events lacking evidence for low coronal shocks had unusually steep energy spectra (gamma greater than 3.5). In terms of shock acceleration, this suggests that shocks formed relatively high in the corona may produce steeper energy spectra than those formed at lower altitudes. It is noted that the filament itself maybe one source of the ions accelerated to high energies, since it is the only plausible coronal source of the He(+) ions observed in SEP events.

  8. 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).

  9. Energetic particle effects on global magnetohydrodynamic modes

    NASA Astrophysics Data System (ADS)

    Cheng, C. Z.

    1990-06-01

    The effects of energetic particles on magnetohydrodynamic (MHD) type modes are studied using analytical theories and the nonvariational kinetic-MHD stability code (nova-k) [Workshop on Theory of Fusion Plasmas, (Societa Italiana di Fisica, Bologna, 1987), p. 185]. In particular, 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 Alfvén eigenmodes (TAE) via transit resonances are addressed. Analytical theories are presented to help explain the nova-k results. For energetic trapped particles generated by neutral beam injection or ion cyclotron resonant heating, a stability window for the n=1 internal kink mode in the hot particle beta space exists even in the absence of core ion finite Larmor radius effect. 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.

  10. Energetic solar electrons in the interplanetary medium

    NASA Technical Reports Server (NTRS)

    Lin, R. P.

    1985-01-01

    Results are given of ISEE-3 measurements of energetic solar electrons extending down to 2 keV energy. Such measurements have provided a new perspective on energetic solar electrons in the interplanetary medium. Impulsive solar electron events are observed, on the average, several times a day near solar maximum, with about 40 percent detected only below about 15 keV. The electron energy spectra have a nearly power-law shape extending smoothly down to 2 keV, indicating that the origin of these events is high in the corona. In large solar flares which accelerate electrons and ions to relativistic energies, the electron spectrum appears to be modified by a second acceleration which results in a double power-law shape above about 10 keV with a break near 100 keV and flattening from about 10-100 keV. Solar type-III radio bursts are produced by the escaping 2-100 keV electrons through a beam-plasma instability.

  11. Energetics and mechanics for partial gravity locomotion.

    PubMed

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

    1994-09-01

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

  12. 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.

  13. Temperature dependent terahertz properties of energetic materials

    NASA Astrophysics Data System (ADS)

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

    2016-04-01

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

  14. 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.

  15. 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.

  16. 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

  17. 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.

  18. Energetic particle effects on global magnetohydrodynamic modes

    SciTech Connect

    Cheng, C.Z. )

    1990-06-01

    The effects of energetic particles on magnetohydrodynamic (MHD) type modes are studied using analytical theories and the nonvariational kinetic-MHD stability code (NOVA-K) ({ital Workshop} {ital on} {ital Theory} {ital of} {ital Fusion} {ital Plasmas}, (Societa Italiana di Fisica, Bologna, 1987), p. 185). In particular, 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 are addressed. Analytical theories are presented to help explain the NOVAresults. For energetic trapped particles generated by neutral beam injection or ion cyclotron resonant heating, a stability window for the {ital n}=1 internal kink mode in the hot particle beta space exists even in the absence of core ion finite Larmor radius effect. On the other hand, the trapped alpha particles are found to resonantly excite instability of the {ital 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.

  19. 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.

  20. User interface support

    NASA Technical Reports Server (NTRS)

    Lewis, Clayton; Wilde, Nick

    1989-01-01

    Space construction will require heavy investment in the development of a wide variety of user interfaces for the computer-based tools that will be involved at every stage of construction operations. Using today's technology, user interface development is very expensive for two reasons: (1) specialized and scarce programming skills are required to implement the necessary graphical representations and complex control regimes for high-quality interfaces; (2) iteration on prototypes is required to meet user and task requirements, since these are difficult to anticipate with current (and foreseeable) design knowledge. We are attacking this problem by building a user interface development tool based on extensions to the spreadsheet model of computation. The tool provides high-level support for graphical user interfaces and permits dynamic modification of interfaces, without requiring conventional programming concepts and skills.

  1. 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.

  2. 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.

  3. Persistent interface fluid syndrome.

    PubMed

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

    2008-08-01

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

  4. Impact on interface spin polarization of molecular bonding to metallic surfaces.

    PubMed

    Javaid, S; Bowen, M; Boukari, S; Joly, L; Beaufrand, J-B; Chen, Xi; Dappe, Y J; Scheurer, F; Kappler, J-P; Arabski, J; Wulfhekel, W; Alouani, M; Beaurepaire, E

    2010-08-13

    We have studied the repercussion of the molecular adsorption mechanism on the electronic properties of the interface between model nonmagnetic or magnetic metallic surfaces and metallo-organic phthalocyanines molecules (Pcs). Our intertwined x-ray absorption spectroscopy experiments and computational studies reveal that manganese Pc (MnPc) is physisorbed onto a Cu(001) surface and retains the electronic properties of a free molecule. On the other hand, MnPc is chemisorbed onto Co(001), leading to a dominant direct exchange interaction between the Mn molecular site and the Co substrate. By promoting an interfacial spin-polarized conduction state on the molecule, these interactions reveal an important lever to tailor the spintronic properties of hybrid organic-metallic interfaces.

  5. 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.

  6. Dependence of Radar Backscatter on the Energetics of the Air-Sea Interface

    DTIC Science & Technology

    1989-12-01

    Shemdin , 1983; Keller and Gotwals, 1983) or a spatial array of sensors (Donelan, et al., 1985). It is much more common to have only a single wave ...Description of the (f. is the Frequency Corresponding Frequency Bounds of Region IV to Peak Energy in the Wave Height Spectrum) (from Shemdin and Hwang, 1988...parameters, here taken to be 50; the range of wave periods resolved is 0.6 to 8.0s. Following Der (1976), the sensors are capacitance transduction devices

  7. Dependence of Radar Backscatter on the Energetics of the Air-Sea Interface

    DTIC Science & Technology

    1990-07-01

    481, pp. 142-148, 1984. Hsaio, and Shemdin , "Measurements of Wind Velocity and Pressure with a Wave Follower during MARSEN," J. Geophys. Res., v. 88...Corresponding Frequency Bounds of Region TV to Peak Energy in the Wave Height Spectrum) (from Shemdin and Hwang, 1988) Figure 10. 46 3) the surface drift range...discussed first, followed in turn by discussions of the observed effects of wind direction, long waves , atmospheric stratification and water

  8. The Energetics of Gravity Driven Faulting

    NASA Astrophysics Data System (ADS)

    Barrows, L.

    2007-12-01

    Faulting can result from either of two different mechanisms. These involve fundamentally different energetics. In displacement-bounded faulting, locked-in elastic strain energy is transformed into seismic waves plus work done in the fault zone. Elastic rebound is an example of displacement-bounded faulting. In force-driven faulting, the forces that create the stress on the fault supply work or energy to the faulting process. Half of this energy is transformed into seismic waves plus work done in the fault zone and half goes into an increase in locked-in elastic strain. In displacement-bounded faulting the locked-in elastic strain drives slip on the fault. In force-driven faulting it stops slip on the fault. Tectonic stress is reasonably attributed to gravity acting on topography and the Earth's lateral density variations. This includes the thermal convection that ultimately drives plate tectonics. The gravity collapse seismic mechanism assumes the fault fails and slips in direct response to the gravitational tectonic stress. Gravity collapse is an example of force-driven faulting. In the simplest case, energy that is released from the gravitational potential of the topography and internal stress-causing density variations is equally split between the seismic waves plus work done in the fault zone and the increase in locked-in elastic strain. The release of gravitational potential energy requires a change in the Earth's density distribution. Gravitational body forces are solely dependent on density so a change in the density distribution requires a change in the body forces. This implies the existence of volumetric body-force displacements. The volumetric body-force displacements are in addition to displacements generated by slip on the fault. They must exist if gravity participates in the energetics of the faulting process. From the perspective of gravitational tectonics, the gravity collapse mechanism is direct and simple. The related mechanics are a little more

  9. Solar Energetic Particle Trapping During Geomagnetic Storms

    NASA Astrophysics Data System (ADS)

    Hudson, M.; Kress, B.; Blake, J. B.; Mazur, J.

    2007-12-01

    The prompt trapping of Solar Energetic Particles (SEPs) in the inner magnetosphere inside of L = 4 has been reported, including protons and heavier ions, in association with high speed interplanetary shocks and Storm Sudden Commencements (SSCs). These observations include the Bastille Day 2000 CME-driven storm as well as two in November 2001, which produced a long-lived new proton belt, as well as trapping of heavy ions up to Fe in all three cases. A survey of such events around the most recent solar maximum, including high altitude measurements from Polar, HEO and ICO satellites along with low altitude measurements from SAMPEX, indicates similarities to the well-studied March 24, 1991 SSC event. In this event, electrons and protons in drift resonance with a magnetosonic impulse were transported radially inward, requiring a source population which is multi-MeV at geosynchronous. A requirement for such shock-induced acceleration is a high-speed CME- shock at 1 AU, which launches a perturbation with comparable velocity inside the magnetosphere. Secondly, there must be a source population which is drift-resonant with the impulse. The CME-shock itself is a source of solar energetic particles, both protons and heavy ions, with higher fluxes and harder spectra associated with faster moving CMEs. A 3D Lorentz integration of SEP trajectories in electric and magnetic fields taken from the Lyon-Fedder-Mobarry (LFM) global MHD model, using solar wind input parameters from spacecraft measurements upstream from the bow shock, has been carried out for two November, 2001 SEP trapping events, and a CME-shock associated with the Halloween 2003 storm period, 29 October, which transported outer zone electrons and trapped solar energetic electrons into around L = 2.5, with little effect on SEPs. These results indicate that an enhancement in solar wind dynamic pressure for these events plays a role in the observed injection of ions (and electrons) to low L-values, as does the extent of

  10. Final Report: Energetics of Radiation Tolerant Nanoceramics

    SciTech Connect

    Castro, Ricardo

    2016-12-20

    The report describes in details the achievements of the project addressing the performance of nanomaterials in radioactive environments. The project addresses the fundamentals of the role of interface features on the defect dynamics during irradiation and present models to predict behavior based on thermodynamic properties. Papers and products, including formation of students in this strategic area, are presented in details as well.

  11. Impact of Oxygen Vacancy on Energy-Level Alignment at MoOx/Organic Interfaces

    NASA Astrophysics Data System (ADS)

    Zhang, Zheng; Xiao, Yan; Wei, Huai-Xin; Ma, Guo-Fu; Duhm, Steffen; Li, Yan-Qing; Tang, Jian-Xin

    2013-09-01

    Oxygen vacancies in MoOx play an essential role in interface energetics for charge injection and transport in organic devices. The influence of oxygen vacancy on energy-level alignment at the interface between MoOx and organic hole-transport layers is studied via photoemission spectroscopy. The degree of oxygen vacancies in MoOx is controlled by thermal annealing, which results in the partial reduction of Mo cations and a decrease in their work function. The hole-injection barrier at MoOx/organic interfaces increases as a consequence of the increase in oxygen deficiency.

  12. 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…

  13. Metaphors for Interface Design.

    ERIC Educational Resources Information Center

    Hutchins, Edwin

    This discussion of the utilization by computer designers and users of metaphors as organizing structures for dealing with the complexity of behavior of human/computer interfaces begins by identifying three types of metaphor that describe various aspects of human-computer interface design, i.e., activity, mode of interaction, and task domain. The…

  14. Thread Pool Interface (TPI)

    SciTech Connect

    Edwards, H. Carter

    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.

  15. 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.

  16. Nutrition and energetics in rodent longevity research.

    PubMed

    Gibbs, Victoria K; Smith, Daniel L

    2016-12-15

    The impact of calorie amount on aging has been extensively described; however, variation over time and among laboratories in animal diet, housing condition, and strains complicates discerning the true influence of calories (energy) versus nutrients on lifespan. Within the dietary restriction field, single macronutrient manipulations have historically been researched as a means to reduce calories while maintaining adequate levels of essential nutrients. Recent reports of nutritional geometry, including rodent models, highlight the impact macronutrients have on whole organismal aging outcomes. However, other environmental factors (e.g., ambient temperature) may alter nutrient preferences and requirements revealing context specific outcomes. Herein we highlight factors that influence the energetic and nutrient demands of organisms which oftentimes have underappreciated impacts on clarifying interventional effects on health and longevity in aging studies and subsequent translation to improve the human condition.

  17. 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.

  18. 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.

  19. Steering the potential barriers: entropic to energetic.

    PubMed

    Burada, P S; Schmid, G

    2010-11-01

    We propose a mechanism to alter the nature of the potential barriers when a biased brownian particle undergoes a constrained motion in narrow periodic channel. By changing the angle of the external bias, the nature of the potential barriers changes from purely entropic to energetic, which in turn affects the diffusion process in the system. At an optimum angle of the bias, the nonlinear mobility exhibits a striking bell-shaped behavior. Moreover, the enhancement of the scaled effective diffusion coefficient can be efficiently controlled by the angle of the bias. This mechanism enables the proper design of channel structures for transport of molecules and small particles. The approximate analytical predictions have been verified by precise brownian dynamics simulations.

  20. Terahertz absorption spectra of highly energetic chemicals

    NASA Astrophysics Data System (ADS)

    Slingerland, E. J.; Vallon, M. K.; Jahngen, E. G. E.; Giles, R. H.; Goyette, T. M.

    2010-04-01

    Research into absorption spectra is useful for detecting chemicals in the field. Each molecule absorbs a set of specific frequencies, which are dependent on the molecule's structure. While theoretical models are available for predicting the absorption frequencies of a particular molecule, experimental measurements are a more reliable method of determining a molecule's actual absorption behavior. The goal of this research is to explore chemical markers (absorption frequencies) that can be used to identify highly energetic molecules of interest to the remote sensing community. Particular attention was paid to the frequency ranges located within the terahertz transmission windows of the atmosphere. In addition, theoretical derivations, with the purpose of calculating the detection limits of such chemicals, will also be presented.

  1. 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.

  2. Sodium Pentazolate: a Nitrogen Rich Energetic Material

    NASA Astrophysics Data System (ADS)

    Oleynik, Ivan; Steele, Brad

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

  3. 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.

  4. 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.

  5. Access of energetic particles to Titan's exobase

    NASA Astrophysics Data System (ADS)

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

    2015-10-01

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

  6. Fast magnetospheric echoes of energetic electron beams

    NASA Technical Reports Server (NTRS)

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

    1983-01-01

    Electron beam experiments using rocket-borne instrumentation confirmed earlier observations of fast magnetospheric echoes of artificially injected energetic electrons. A total of 234 echoes were observed in a pitch angle range from 9 to 110 deg at energies of 1.87 and 3.90 keV. Of these, 102 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. The injection process is discussed 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.

  7. 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.

  8. 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.

  9. 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).

  10. 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.

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

    SciTech Connect

    Cheng, C.Z.

    1997-05-01

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

  12. 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.

  13. 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...

  14. 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.

  15. Energetics of RHESSI X-Class Flares

    NASA Technical Reports Server (NTRS)

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

    2005-01-01

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

  16. 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.

  17. 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.

  18. Low-Dimensional Systems: Structures of Interfaces and Magnetic Chains

    NASA Astrophysics Data System (ADS)

    Shen, Qing

    The solid-solid metal oxide(MO) interface in (100) orientation was modeled and its properties were investigated by molecular Dynamics(MD). MD was used to model temperature dependent geometry in the interface region, using standard interatomic potentials. The lattice structure across the MO-MO interface is found to change continually from one crystal to another. The radial distribution function, average potential energy for each layer, the average interplanar spacing, mean square displacement of the ions and spectrum of the autocorrelation function of velocity were calculated. Results for (100) MgO-CoO and NiO-CoO interfaces are compared with solid-solution and pure-phase data. The solid-solid metal oxide interface of rock -salt structure in (100) orientation was modeled and its properties were investigated by Local Density(LD) theory. Starting with molecular dynamics determined time-average atomic configurations at the interface, self-consistent LD calculations were made to determine electronic structure, spectroscopic and energetic properties of interface atoms. Spectral distributions, bonding mechanisms, charge densities and consequences for the optical band gap were determined. Results are given for (100) MgO-CoO interfaces, rm Mg_{x}Co_{1-x}O alloy and NiO-CoO interface. The magnetic properties of transition-metal based quasi-one dimensional molecular metals show unusual concentration and temperature dependence. Ion magnetization in the one dimensional rm Cu_{1-c}Ni _{c} chain of rm Cu_{1-c}Ni_{c}(pc)I was modeled by Monte Carlo methods, using indirect exchange interaction potentials of variable range. The effects of dilution of Cu spin moments by diamagnetic Ni ions and impurity scattering effects on the electron gas polarization are determined. Results are compared with NMR T-dependent magnetization data for this molecular metal.

  19. Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys

    NASA Astrophysics Data System (ADS)

    Choudhuri, D.; Banerjee, R.; Srinivasan, S. G.

    2017-01-01

    The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β1-Mg3Nd precipitates, that grow along <110>Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces– {112}β1/{100}Mg and {111}β1/{110}Mg– that are commensurate with β1/hcp-Mg orientation relationship via first principles calculations. We find that β1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112}β1/{100}Mg interfaces, and predict that β1 grows along <110>Mg on dislocation lines due to the migration of metastable {111}β1/{110}Mg. Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β1-like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces.

  20. 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.

  1. Environmentally Responsible Energetic Materials: Another Look at the Styphnates

    NASA Astrophysics Data System (ADS)

    Collins, Adam; Angliss, Timothy; Proud, William

    2009-06-01

    Lead Styphnate (lead 2,4,6-trinitroresorcinate) has many applications as a primary explosive, most notably in priming compositions. Its largest drawback, however, is the toxicity of lead. Heavy metals often feature in primary explosives, providing favourable density, bonding, and reaction products; but, the toxic nature of heavy metals makes these explosives of limited use. Current research efforts are being made to design new energetic materials (such as those based around the 5-nitrotetrazole molecule), but familiar energetics can still be of use. The styphnate anion provides many favourable energetic qualities (such as a ring structure and nitro groups), and while the lead salt has proven its usefulness, other metallic styphnates also provide a range of energetic qualities. This paper reports on ignition thresholds, energetic output, and thermal properties of the following salts of trinitroresorcinol: Barium, Bismuth, Calcium, Copper, Lithium, and Lead. Such information provides a list of characterized energetic materials, but also insight into how metal cations can control measurable energetic effects at the molecular and crystal level.

  2. 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

  3. 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

  4. 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

  5. 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

  6. 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.

  7. 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

  8. Data Reorganization Interface

    DTIC Science & Technology

    2007-11-02

    Data Reorganization Interface Kenneth Cain Mercury Computer Systems, Inc. Phone: (978)-967-1645 Email Address: kcain@mc.com Abstract...6. AUTHOR(S) 5d. PROJECT NUMBER 5e. TASK NUMBER 5f. WORK UNIT NUMBER 7. PERFORMING ORGANIZATION NAME(S) AND ADDRESS(ES) Mercury Computer Systems...18 © 2003 Mercury Computer Systems, Inc. Data Reorganization Interface (DRI) Kenneth Cain Jr. Mercury Computer Systems, Inc. High Performance

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. Galactic substructure and energetic neutrinos from the sun and earth.

    PubMed

    Koushiappas, Savvas M; Kamionkowski, Marc

    2009-09-18

    We consider the effects of Galactic substructure on energetic neutrinos from annihilation of weakly interacting massive particles that have been captured by the Sun and Earth. Substructure gives rise to a time-varying capture rate and thus to time variation in the annihilation rate and resulting energetic-neutrino flux. However, there may be a time lag between the capture and annihilation rates. The energetic-neutrino flux may then be determined by the density of dark matter in the Solar System's past trajectory, rather than the local density. The signature of such an effect may be sought in the ratio of the direct- to indirect-detection rates.

  14. 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.

  15. 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.

  16. 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.

  17. Minimal color-flavor-locked--nuclear interface

    SciTech Connect

    Alford, Mark; Rajagopal, Krishna; Reddy, Sanjay; Wilczek, Frank

    2001-10-01

    At nuclear matter density, electrically neutral strongly interacting matter in weak equilibrium is made of neutrons, protons, and electrons. At sufficiently high density, such matter is made of up, down, and strange quarks in the color-flavor-locked (CFL) phase, with no electrons. As a function of increasing density (or, perhaps, increasing depth in a compact star) other phases may intervene between these two phases, which are guaranteed to be present. The simplest possibility, however, is a single first order phase transition between CFL and nuclear matter. Such a transition, in space, could take place either through a mixed phase region or at a single sharp interface with electron-free CFL and electron-rich nuclear matter in stable contact. Here we construct a model for such an interface. It is characterized by a region of separated charge, similar to an inversion layer at a metal-insulator boundary. On the CFL side, the charged boundary layer is dominated by a condensate of negative kaons. We then consider the energetics of the mixed phase alternative. We find that the mixed phase will occur only if the nuclear-CFL surface tension is significantly smaller than dimensional analysis would indicate.

  18. Large gradual solar energetic particle events

    NASA Astrophysics Data System (ADS)

    Desai, Mihir; Giacalone, Joe

    2016-12-01

    Solar energetic particles, or SEPs, from suprathermal (few keV) up to relativistic (˜ few GeV) energies are accelerated near the Sun in at least two ways: (1) by magnetic reconnection-driven processes during solar flares resulting in impulsive SEPs, and (2) at fast coronal-mass-ejection-driven shock waves that produce large gradual SEP events. Large gradual SEP events are of particular interest because the accompanying high-energy ({>}10s MeV) protons pose serious radiation threats to human explorers living and working beyond low-Earth orbit and to technological assets such as communications and scientific satellites in space. However, a complete understanding of these large SEP events has eluded us primarily because their properties, as observed in Earth orbit, are smeared due to mixing and contributions from many important physical effects. This paper provides a comprehensive review of the current state of knowledge of these important phenomena, and summarizes some of the key questions that will be addressed by two upcoming missions—NASA’s Solar Probe Plus and ESA’s Solar Orbiter. Both of these missions are designed to directly and repeatedly sample the near-Sun environments where interplanetary scattering and transport effects are significantly reduced, allowing us to discriminate between different acceleration sites and mechanisms and to isolate the contributions of numerous physical processes occurring during large SEP events.

  19. Energetic characteristics of transition metal complexes.

    PubMed

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

    2009-11-15

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

  20. 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.

  1. Update on Saturn's energetic electron periodicities

    NASA Astrophysics Data System (ADS)

    Carbary, James F.

    2017-01-01

    The periodicities in fluxes of energetic electrons (110-365 keV) in Saturn's magnetosphere were determined from late 2004 to mid-2016. The electron periods were calculated using Lomb periodogram analyses within windows of 200 days at sliding intervals of 10 days, which tracked changes in the periodicity. Sometimes the periodicity showed a clear duality, as in 2007-2008, while at other times the two periods came together so closely as to be indistinguishable, as after equinox in 2010 and in 2015. At still other times, the periodicity apparently vanished altogether, as in 2014. These periodicities generally agreed with those of other phenomena such as the magnetic field and radio emissions. Whether dual or mono, the periods generally remained between 10.58 h and 10.84 h, with two statistical peaks at 10.68 h and 10.81 h. This observation suggests that magnetospheric periodicities at Saturn lie within a limited range of values, which places constraints on the generative mechanism for the phenomena.

  2. Energetic molding of chiral magnetic bubbles

    NASA Astrophysics Data System (ADS)

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

    2016-08-01

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

  3. Energetics of solar coronal mass ejections

    NASA Astrophysics Data System (ADS)

    Subramanian, P.; Vourlidas, A.

    2007-05-01

    Aims:We investigate whether solar coronal mass ejections are driven mainly by coupling to the ambient solar wind or through the release of internal magnetic energy. Methods: We examine the energetics of 39 flux-rope like coronal mass ejections (CMEs) from the Sun using data in the distance range ~2-20 R⊙ from the Large Angle Spectroscopic Coronograph (LASCO) aboard the Solar and Heliospheric Observatory (SOHO). This comprises a complete sample of the best examples of flux-rope CMEs observed by LASCO in 1996-2001. Results: We find that 69% of the CMEs in our sample experience a clearly identifiable driving power in the LASCO field of view. For those CMEs that are driven, we examine if they might be deriving most of their driving power by coupling to the solar wind. We do not find conclusive evidence in favor of this hypothesis. On the other hand, we find that their internal magnetic energy is a viable source of the required driving power. We have estimated upper and lower limits on the power that can possibly be provided by the internal magnetic field of a CME. We find that, on average, the lower limit to the available magnetic power is around 74% of what is required to drive the CMEs, while the upper limit can be as much as an order of magnitude larger.

  4. 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.

  5. Excitation-contraction coupling and mitochondrial energetics

    PubMed Central

    O’Rourke, Brian

    2009-01-01

    Cardiac excitation-contraction (EC) coupling consumes vast amounts of cellular energy, most of which is produced in mitochondria by oxidative phosphorylation. In order to adapt the constantly varying workload of the heart to energy supply, tight coupling mechanisms are essential to maintain cellular pools of ATP, phosphocreatine and NADH. To our current knowledge, the most important regulators of oxidative phosphorylation are ADP, Pi, and Ca2+. However, the kinetics of mitochondrial Ca2+-uptake during EC coupling are currently a matter of intense debate. Recent experimental findings suggest the existence of a mitochondrial Ca2+ microdomain in cardiac myocytes, justified by the close proximity of mitochondria to the sites of cellular Ca2+ release, i. e., the ryanodine receptors of the sarcoplasmic reticulum. Such a Ca2+ microdomain could explain seemingly controversial results on mitochondrial Ca2+ uptake kinetics in isolated mitochondria versus whole cardiac myocytes. Another important consideration is that rapid mitochondrial Ca2+ uptake facilitated by microdomains may shape cytosolic Ca2+ signals in cardiac myocytes and have an impact on energy supply and demand matching. Defects in EC coupling in chronic heart failure may adversely affect mitochondrial Ca2+ uptake and energetics, initiating a vicious cycle of contractile dysfunction and energy depletion. Future therapeutic approaches in the treatment of heart failure could be aimed at interrupting this vicious cycle. PMID:17657400

  6. Observed deep energetic eddies by seamount wake.

    PubMed

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

    2015-11-30

    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.

  7. 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

  8. Intense and energetic radiation from crystalline undulators

    NASA Astrophysics Data System (ADS)

    Uggerhøj, U. I.; Wistisen, T. N.

    2015-07-01

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

  9. 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.

  10. 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.

  11. 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.

  12. 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.

  13. A novel tomographic technique for energetic materials

    NASA Astrophysics Data System (ADS)

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

    2015-06-01

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

  14. Shock Initiation Thresholds of Various Energetic Materials

    NASA Astrophysics Data System (ADS)

    Damm, David; Welle, Eric; Yarrington, Cole

    2013-06-01

    Shock initiation threshold data for several energetic materials has been analyzed for both short-pulses and long, sustained shocks. In the limit of long duration shocks, the critical pressure for initiation is governed by the balance between chemical energy release in the vicinity of hotspots and thermal dissipation which cools the hotspot and can quench reactions. The observed trends in critical pressure from one material to the next are related to the thermophysical properties and chemical reaction kinetics of each material. Scaling analysis, combined with hydrocode simulations of collapsing pores has confirmed these trends; however large uncertainty in the reaction kinetics under shock loading prevents an accurate quantitative description of hotspot ignition. For a given pore diameter, scaling analysis allows a quick estimate of the temperature at which the reaction rate will exceed the rate of thermal dissipation. Using published thermophysical property data and reaction kinetics we found that the trend in critical hotspot temperatures for several common materials (e.g. PETN, HMX, HNS, and TATB) matches the observed trend in initiation sensitivity. The hydrocode simulations of pore collapse provide a link between the critical temperature and the initial shock pressure. For these simulations we have used recently published QMD-based equations of state for the fully-dense, crystalline phase and have included the effects of variable specific heat, viscous dissipation, and plastic work. These results will be presented and the need for physically-meaningful reaction rates will be emphasized.

  15. 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.

  16. Energetics of Boron Doping of Carbon Pores

    NASA Astrophysics Data System (ADS)

    Wexler, Carlos; St. John, Alexander; Connolly, Matthew

    2014-03-01

    Carbon-based materials show promise, given their light weight, large surface areas and low cost for storage of hydrogen and other gases, e.g., for energy applications. Alas, the interaction of H2 and carbon, 4-5kJ/mol, is insufficient for room-temperature operation. Boron doping of carbon materials could raise the binding energy of H2 to 12-15kJ/mol. The nature of the incorporation of boron into a carbon structure has not been studied so far. In this talk we will address the energetics of boron incorporation into a carbon matrix via adsorption and decomposition of decaborane by first principles calculations. These demonstrate: (a) A strong adsorption of decaborane to carbon (70-80kJ/mol) resulting in easy incorporation of decaborane, sufficient for up to 10-20% B:C at low decaborane vapour pressures. (b) Identification that boron acts as an electron acceptor when incorporated substitutionally into a graphene-like material, as expected due to its valence. (c) The electrostatic field near the molecule is responsible for ca. 2/3 of the enhancement of the H2-adsorbent interaction in aromatic compounds such as pyrene, coronene and ovalene. Supported by DOE DE-FG36-08GO18142, ACS-PRF 52696-ND5, and NSF 1069091.

  17. 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.

  18. The energetic characterization of pineapple crown leaves.

    PubMed

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

    2015-12-01

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

  19. 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.

  20. 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

  1. 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

    1986-07-04

    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.

  2. 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.

  3. 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.

  4. ENERGETIC PARTICLE DIFFUSION IN CRITICALLY BALANCED TURBULENCE

    SciTech Connect

    Laitinen, T.; Dalla, S.; Kelly, J.; Marsh, M.

    2013-02-20

    Observations and modeling suggest that the fluctuations in magnetized plasmas exhibit scale-dependent anisotropy, with more energy in the fluctuations perpendicular to the mean magnetic field than in the parallel fluctuations and the anisotropy increasing at smaller scales. The scale dependence of the anisotropy has not been studied in full-orbit simulations of particle transport in turbulent plasmas so far. In this paper, we construct a model of critically balanced turbulence, as suggested by Goldreich and Sridhar, and calculate energetic particle spatial diffusion coefficients using full-orbit simulations. The model uses an enveloped turbulence approach, where each two-dimensional wave mode with wavenumber k is packed into envelopes of length L following the critical balance condition, L{proportional_to}k {sup -2/3} , with the wave mode parameters changing between envelopes. Using full-orbit particle simulations, we find that both the parallel and perpendicular diffusion coefficients increase by a factor of two, compared to previous models with scale-independent anisotropy.

  5. 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.

  6. 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.

  7. 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

  8. A sharp interface evolutionary model for shape memory alloys

    NASA Astrophysics Data System (ADS)

    Knüpfer, Hans; Kružík, Martin

    2016-11-01

    We show the existence of an energetic solution to a quasistatic evolutionary model of shape memory alloys. Elastic behavior of each material phase/variant is described by polyconvex energy density. Additionally, to every phase boundary, there is an interface-polyconvex energy assigned, introduced by M. \\v{S}ilhav\\'{y}. The model considers internal variables describing the evolving spatial arrangement of the material phases and a deformation mapping with its first-order gradients. It allows for injectivity and orientation-preservation of deformations. Moreover, the resulting material microstructures have finite length scales.

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

    PubMed

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

    2015-06-01

    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.

  10. 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

  11. Nitrogen-14 NQR Study of Energetic Materials

    DTIC Science & Technology

    1982-09-01

    Army Research Office Research Triangle Park North Carolina 27709 Contract No. DAAG-29-79-0025 I Submitted by: BLOCK ENGINEERING Division of Bio-Rad...NQR Lines C-i F APPENDIX D Princeton Applied Research Interface D-1 References R-1 BLOCK 󈨑 7T - %. LIST OF TABLES Tables Page 2.2-I Lorentzian FID and...as can be seen by the seemingly incongruous pairing of v and v + lines in Figure 3.1-1. In fact, it will be shown that the chemical inequivalence of "o

  12. 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.

  13. Nanoscale martensitic phase transition at interfaces in shape memory materials

    NASA Astrophysics Data System (ADS)

    Dar, Rebecca D.; Chen, Ying

    2017-01-01

    In polycrystalline shape memory materials, mechanical interactions between martensitic transformation and grain boundaries at small scales play a critical role. Using a cobalt-based shape memory alloy, instrumented nanoindentation that probes nanoscale behavior reveals that grain boundary regions are resistant to transformation and have an adverse effect on shape memory possibly because an increase in strain energy outweighs reduction in interface energy. When grain boundaries are replaced by a thin, intergranular layer of a ductile and more malleable phase, grain boundary constraints are greatly alleviated, and transformation nearby can be well accommodated. Statistical analysis of results from a large number of nanoindents shows a decrease in shape recovery near grain boundaries and an increase in shape recovery near the new grain boundary phase, compared to grain interior. This is corroborated by analysis of nanoscale hardness and energy dissipation. Nanoscale martensitic transformation near interfaces depends largely on how the material across the interface accommodates transformation displacement. Engineering interfaces and enhancing local compatibility could drastically alter the energetics for phase transition at interfaces favorable for shape memory.

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

    NASA Astrophysics Data System (ADS)

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

    2015-07-01

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

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

    NASA Astrophysics Data System (ADS)

    Peri, Claudio; Morra, Giulia; Colombo, Giorgio

    2016-04-01

    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.

  16. Inverse Energy Dispersion of Energetic Ions Observed in the Magnetosheath

    NASA Technical Reports Server (NTRS)

    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.

    2016-01-01

    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 (approximately 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 R(sub E) using combined Super Dual Auroral Radar Network radar and EPD observations.

  17. 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.

  18. 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.

  19. 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.

  20. 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.

  1. On the energetic dependence of charge separation in low-band-gap polymer/fullerene blends.

    PubMed

    Dimitrov, Stoichko D; Bakulin, Artem A; Nielsen, Christian B; Schroeder, Bob C; Du, Junping; Bronstein, Hugo; McCulloch, Iain; Friend, Richard H; Durrant, James R

    2012-11-07

    The energetic driving force required to drive charge separation across donor/acceptor heterojunctions is a key consideration for organic optoelectronic devices. Herein we report a series of transient absorption and photocurrent experiments as a function of excitation wavelength and temperature for two low-band-gap polymer/fullerene blends to study the mechanism of charge separation at the donor/acceptor interface. For the blend that exhibits the smallest donor/acceptor LUMO energy level offset, the photocurrent quantum yield falls as the photon excitation energy is reduced toward the band gap, but the yield of bound, interfacial charge transfer states rises. This interplay between bound and free charge generation as a function of initial exciton energy provides key evidence for the role of excess energy in driving charge separation of direct relevance to the development of low-band-gap polymers for enhanced solar light harvesting.

  2. 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

  3. 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.

  4. Effect of Energetic Ion on Spatial Distribution of Recombining Plasma

    NASA Astrophysics Data System (ADS)

    Okamoto, A.; Daibo, A.; Kitajima, S.; Kumagai, T.; Takahashi, H.; Takahashi, T.; Tsubota, S.

    Spatial distribution of electron density is considered. By using a one-dimensional recombining plasma model, effects of transient energetic ion flux are investigated. The time response of the system against the transient flux is dominated by the recombination frequency. The magnitude of modification of the spatial distribution is determined by the ratio between the ionization due to the energetic ion and the recombination of the bulk plasma.

  5. Stability of AN Axisymmetric Mirror with AN Energetic Ion Component.

    NASA Astrophysics Data System (ADS)

    Krall, Jonathan Francis

    We examine the stability of an axisymmetric mirror with an energetic ion component to finite azimuthal mode number (m) interchange modes, using a dispersion functional in which the energetic ions are described by the Vlasov equation and the background plasma is described by the magnetohydrodynamic (MHD) equations. A separate analysis is presented for the Vlasov- fluid case Freidberg, 1972 , where the background consists of fluid electrons. Stability is addressed first for an elongated equilibrium with a specific class of energetic ion orbits in the Vlasov-MHD case and then for both cases with more general equilibria and orbits. With the elongated mirror, we suppose that the axis-encircling ions have orbits that reside on flux surfaces, obtaining a sufficient condition for stability on each flux surface. Numerical evaluation of the stability condition indicates that the energetic ion component is highly stabilizing in regions where the energetic ion density increases outward and highly destabilizing where the density decreases outward. The more general problem is considered by representing the displacement in terms of a complete set of global basis functions, giving a necessary and sufficient condition for stability for each case. In each of the two cases, kinetic effects enter into the analysis through phase-space autocorrelation functions Lewis et al., 1985 . We find that in the Vlasov-MHD case, where we use a rigid-rotor distribution for the energetic ions, the net rotation of the energetic ions is destabilizing and dominates the stabilizing influence of the energetic ion current. In the Vlasov-fluid case, finite Larmor radius (FLR) effects were recovered, with growth rates reduced when ((rho)(,i)/L)('2) >(, )(gamma)(,MHD)/(OMEGA)(,i), where (rho)(,i) is the Larmor radius of the Vlasov ions, L is the plasma radius, (gamma)(,MHD) is the growth rate with FLR effects excluded and (OMEGA)(,i) is the ion gyrofrequency. These effects are discussed in terms of phase

  6. Global Energetics of Thirty-Eight Large Solar Eruptive Events

    DTIC Science & Technology

    2012-10-17

    ejection (CME), (7) the energy in solar energetic particles (SEPs) observed in interplanetary space, and ( 8 ) the amount of free (non-potential) magnetic ...the energy in solar energetic particles (SEPs) observed in interplanetary space, and ( 8 ) the amount of free (non-potential) magnetic energy estimated...as they scatter on the diverging interplanetary magnetic field . For this work, we corrected for both multiple 1 AU crossings and energy loss using

  7. SRAM As An Array Of Energetic-Ion Detectors

    NASA Technical Reports Server (NTRS)

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

    1993-01-01

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

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

    SciTech Connect

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

    2004-04-27

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

  9. 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.

  10. Energetics and Cooling in Urban Parks

    NASA Astrophysics Data System (ADS)

    Spronken-Smith, Rachel Anne

    While there has been a long tradition for the integration of architecture and landscape to improve the urban environment, little is known about the effect of urban parks on local climate. In this study the park effect is determined through an integrated research approach incorporating field measurements of the thermal regime and energetics of urban parks, together with scale modelling of nocturnal cooling in urban parks. The research is limited to consideration of the park effect in two cities with different summer climates: Sacramento, California (hot summer Mediterranean) and Vancoucer, British Columbia (cool summer Mediterranean). In both these cities, surveys of summer-time air temperature patterns associated with urban parks confirm and extend previous findings. In temperate Vancouver, the park effect is typically 1-2^circC, rarely more than 3^circC, although it can be higher under ideal conditions. However, in a hot, dry city, the effect is considerably enhanced with parks as much as 5-7^circC cooler than their urban surrounds. A comparison of the surface energy balance of small open, grassed parks in these two cities demonstrated the importance of evapotranspiration in park energetics. In hot, dry Sacramento, evaporation in the park was advectively -assisted and exceeded that at an irrigated rural site. Strong advective edge effects on evaporation were observed in this wet park. These decayed approximately exponentially with distance into the park. The urban park in Vancouver was moist, but unirrigated. While evaporation dominated the surface energy balance, the sensible heat flux was positive through most of the day, and evaporation was not strongly influenced by advection. The evaporation trend in the park probably reflected the turbulence and soil moisture regimes. However, an irrigated lawn in Vancouver did exhibit edge-type advection. This suggests the soil moisture regime may be critical in determining whether evaporation exceeds the potential rate

  11. 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

  12. 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.

  13. 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

  14. Telemetered cephalopod energetics: swimming, soaring, and blimping.

    PubMed

    O'Dor, Ron

    2002-11-01

    Cephalopods are uniquely suited to field energetic studies. Their hollow mantles that pump water for respiration and jetting also can accommodate differential transducer-transmitters. These transmitters indicate pressure-flow power output, which can be calibrated against oxygen consumption by swim-tunnel respirometry. Radio-acoustic positioning telemetry (RAPT) records pressure-flow power and animal movements with meter accuracy in nature. Despite inherent inefficiencies, jetting is the primary mode of locomotion for both primitive nautilus and powerful, migratory oceanic squids. In between, large-finned squid and cuttlefish mix jetting with fin undulation in complex gaits that increase locomotor efficiency. Our studies show that the complex nervous systems cephalopods evolved to control mixed gaits are also sensitive to flow and density fields in nature and that they use these to further reduce locomotion costs. Buoyed up by evacuated shells, nautilus and cuttlefish live in boundary layers and navigate cheaply through them like balloonists. Large-finned, negatively buoyant squid soar like eagles in rising currents, but lose control in currents above one body length per second. Many muscular squids have life histories linked to current systems. Neutrally buoyant ammoniacal cephalopods in the mesopelagic are a limiting case in need of study. The small density differential between seawater and isotonic ammonium chloride trebles their volume, making them blimp-like with very low power densities. Some species live entirely in this restricted habitat, but most become ammoniacal late in ontogeny, as they approach semelparous reproduction. Ammonium retained for buoyancy as carbon is terminally mobilized from muscle protein for gametes and energy, compensates for lost muscle power.

  15. The Cosmic Ray Energetics And Mass Project

    NASA Astrophysics Data System (ADS)

    Seo, Eun-Suk; Iss-Cream Collaboration

    2017-01-01

    The balloon-borne Cosmic Ray Energetics And Mass (CREAM) experiment was flown for 161 days in six flights over Antarctica, the longest known exposure for a single balloon project. Elemental spectra were measured for Z = 1- 26 nuclei over a wide energy range from 1010 to >1014 eV. Building on the success of those balloon flights, one of the two balloon payloads was transformed for exposure on the International Space Station (ISS) Japanese Experiment Module Exposed Facility (JEM-EF). This ISS-CREAM instrument is configured with redundant and complementary particle detectors. The four layers of its finely segmented Silicon Charge Detector provide precise charge measurements, and its ionization calorimeter provides energy measurements. In addition, scintillator-based Top and Bottom Counting Detectors and the Boronated Scintillator Detector distinguish electrons from nuclei. An order of magnitude increase in data collecting power is expected to reach the highest energies practical with direct measurements. Following completion of its qualification tests at NASA Goddard Space Flight Center, the ISS-CREAM payload was delivered to NASA Kennedy Space Center in August 2015 to await its launch to the ISS. While waiting for ISS-CREAM to launch, the other balloon payload including a Transition Radiation Detector, which is too large for the JEM-EF envelope, has been prepared for another Antarctic balloon flight in 2016. This so-called Boron And Carbon Cosmic rays in the Upper Stratosphere (BACCUS) payload will investigate cosmic ray propagation history. The overall project status and future plans will be presented.

  16. 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.

  17. 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

  18. 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.

  19. 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

  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. The adolescent transition under energetic stress

    PubMed Central

    Reiches, Meredith W.; Moore, Sophie E.; Prentice, Andrew M.; Prentice, Ann; Sawo, Yankuba; Ellison, Peter T.

    2013-01-01

    Background and objectives: Life history theory predicts a shift in energy allocation from growth to reproductive function as a consequence of puberty. During adolescence, linear growth tapers off and, in females, ovarian steroid production increases. In this model, acquisition of lean mass is associated with growth while investment in adiposity is associated with reproduction. This study examines the chronological and developmental predictors of energy allocation patterns among adolescent women under conditions of energy constraint. Methodology: Fifty post-menarcheal adolescent women between 14 and 20 years old were sampled for weight and body composition at the beginning and end of 1 month in an energy-adequate season and 1 month in the subsequent energy-constrained season in a rural province of The Gambia. Results: Chronologically and developmentally younger adolescent girls gain weight in the form of lean mass in both energy-adequate and energy-constrained seasons, whereas older adolescents lose lean mass under conditions of energetic stress (generalized estimating equation (GEE) Wald chi-square comparing youngest tertile with older two tertiles 9.750, P = 0.002; GEE Wald chi-square comparing fast- with slow-growing individuals for growth rate 19.806, P < 0.001). When energy is limited, younger adolescents lose and older adolescents maintain fat (GEE Wald chi-square for interaction of age and season 6.568, P = 0.010; GEE Wald chi-square comparing fast- with slow-growing individuals for interaction of growth rate and season 7.807, P = 0.005). Conclusions and implications: When energy is constrained, the physiology of younger adolescents invests in growth while that of older adolescent females privileges reproductively valuable adipose tissue. PMID:24481188

  2. 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

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

    NASA Astrophysics Data System (ADS)

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

    2016-05-01

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

  4. 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.

  5. Modeling thermally driven energetic response of high explosives

    SciTech Connect

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

    1998-08-17

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

  6. 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.

  7. 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.

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

    DOEpatents

    Molvik, Arthur W.; Ellingboe, Albert R.

    1998-01-01

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

  9. 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.

  10. A Study of Energetic Neutral Oxygen Emissions and its Implications

    NASA Astrophysics Data System (ADS)

    Zheng, Y.; Lui, A. T.; Fok, M.

    2008-05-01

    Energetic Neutral Atom (ENA) emission detection serves as an innovative diagnostic tool for detailed investigations of energetic particles and has contributed greatly in addressing key issues of storm and substorm dynamics. ENAs, which are products of charge exchange between singly charged energetic ions and neutrals of the geocorona, carry not only spectral information but also composition of source plasma and therefore enable global imaging of ring current ions. An inter-spacecraft comparison of energetic neutral oxygen (ENO) intensity from two different vantage points, provided by IMAGE and Geotail, showed that viewing perspective plays a very important role in the observed ENO intensity level during a magnetic storm period [Lui et al., 2005]. Motivated by the findings, we investigate how viewing perspective influences energetic neutral atom emissions from a modeling perspective. Our simulation results, based upon O+ ion fluxes from the Comprehensive Ring Current Model (CRCM) and the subsequent ENO calculation, reproduce the total differential ENO intensity obtained from two spacecraft to a reasonable degree. Further analysis of our results indicates that pitch angle anisotropy in ring current ion flux, a crucial physical quantity in ring current and radiation belt dynamics, is one major contributor to the difference in energetic neutral atom intensity from different viewing perspectives. Using the CRCM, we will also examine the role of O+ in the storm-time ring current dynamics. Lui, A. T. Y. et al., Geophys. Res. Lett., 32, L13104, doi:10.1029/2005GL022851 (2005).

  11. Li-Ion Localization and Energetics as a Function of Anode Structure.

    PubMed

    McNutt, Nicholas W; McDonnell, Marshall; Rios, Orlando; Keffer, David J

    2017-03-01

    In this work, we study the effect of carbon composite anode structure on the localization and energetics of Li-ions. A computational molecular dynamics study is combined with experimental results from neutron scattering experiments to understand the effect of composite density, crystallite size, volume fraction of crystalline carbon, and ion loading on the nature of ion storage in novel, lignin-derived composite materials. In a recent work, we demonstrated that these carbon composites display a fundamentally different mechanism for Li-ion storage than traditional graphitic anodes. The edges of the crystalline and amorphous fragments of aromatic carbon that exist in these composites are terminated by hydrogen atoms, which play a crucial role in adsorption. In this work, we demonstrate how differences in composite structure due to changes in the processing conditions alter the type and extent of the interface between the amorphous and crystalline domains, thus impacting the nature of Li-ion storage. The effects of structural properties are evaluated using a suite of pair distribution functions as well as an original technique to extract archetypal structures, in the form of three-dimensional atomic density distributions, from highly disordered systems. The energetics of Li-ion binding are understood by relating changes in the energy and charge distributions to changes in structural properties. The distribution of Li-ion energies reveals that some structures lead to greater chemisorption, while others have greater physisorption. Carbon composites with a high volume fraction of small crystallites demonstrate the highest ion storage capacity because of the high interfacial area between the crystalline and amorphous domains. At these interfaces, stable H atoms, terminating the graphitic crystallites, provide favorable sites for reversible Li adsorption.

  12. 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.

  13. Modeling material interfaces with hybrid adhesion method

    DOE PAGES

    Brown, Nicholas Taylor; Qu, Jianmin; Martinez, Enrique

    2017-01-27

    A molecular dynamics simulation approach is presented to approximate layered material structures using discrete interatomic potentials through classical mechanics and the underlying principles of quantum mechanics. This method isolates the energetic contributions of the system into two pure material layers and an interfacial region used to simulate the adhesive properties of the diffused interface. The strength relationship of the adhesion contribution is calculated through small-scale separation calculations and applied to the molecular surfaces through an inter-layer bond criterion. By segregating the contributions into three regions and accounting for the interfacial excess energies through the adhesive surface bonds, it is possiblemore » to model each material with an independent potential while maintaining an acceptable level of accuracy in the calculation of mechanical properties. This method is intended for the atomistic study of the delamination mechanics, typically observed in thin-film applications. Therefore, the work presented in this paper focuses on mechanical tensile behaviors, with observations in the elastic modulus and the delamination failure mode. To introduce the hybrid adhesion method, we apply the approach to an ideal bulk copper sample, where an interface is created by disassociating the force potential in the middle of the structure. Various mechanical behaviors are compared to a standard EAM control model to demonstrate the adequacy of this approach in a simple setting. In addition, we demonstrate the robustness of this approach by applying it on (1) a Cu-Cu2O interface with interactions between two atom types, and (2) an Al-Cu interface with two dissimilar FCC lattices. These additional examples are verified against EAM and COMB control models to demonstrate the accurate simulation of failure through delamination, and the formation and propagation of dislocations under loads. Finally, the results conclude that by modeling the energy

  14. Magnetic multilayer interface anisotropy

    SciTech Connect

    Pechan, M.J.

    1992-01-01

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

  15. 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.

  16. 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

  17. High temperature interface superconductivity

    SciTech Connect

    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, 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.

  18. 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.

  19. 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.

  20. Virtual interface environment workstations

    NASA Technical Reports Server (NTRS)

    Fisher, S. S.; Wenzel, E. M.; Coler, C.; Mcgreevy, M. W.

    1988-01-01

    A head-mounted, wide-angle, stereoscopic display system controlled by operator position, voice and gesture has been developed at NASA's Ames Research Center for use as a multipurpose interface environment. This Virtual Interface Environment Workstation (VIEW) system provides a multisensory, interactive display environment in which a user can virtually explore a 360-degree synthesized or remotely sensed environment and can viscerally interact with its components. Primary applications of the system are in telerobotics, management of large-scale integrated information systems, and human factors research. System configuration, research scenarios, and research directions are described.

  1. 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.

  2. 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.

  3. Unfolding energetics and stability of banana lectin.

    PubMed

    Gupta, Garima; Sinha, Sharmistha; Surolia, Avadhesha

    2008-08-01

    The unfolding pathway of banana lectin from Musa paradisiaca was determined by isothermal denaturation induced by the chaotrope GdnCl. The unfolding was found to be a reversible process. The data obtained by isothermal denaturation provided information on conformational stability of banana lectin. The high values of DeltaG of unfolding at various temperatures indicated the strength of intersubunit interactions. It was found that banana lectin is a very stable and denatures at high chaotrope concentrations only. The basis of the stability may be attributed to strong hydrogen bonds of the order 2.5-3.1 A at the dimeric interface along with the presence of water bridges. This is perhaps very unique example in proteins where subunit association is not a consequence of the predominance of hydrophobic interactions.

  4. 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.

  5. Interfacing the Digital.

    ERIC Educational Resources Information Center

    Dietz, Steve

    In the last 5 years, there has been at times heated debate not only about how best to present digital and specifically networked art in an institutional context but also whether to do so at all. Not all of the discussion revolves around issues of physical interfaces to such works, but their onsite presentation is a critical concern for both…

  6. Virtual interface environment

    NASA Technical Reports Server (NTRS)

    Fisher, Scott S.

    1988-01-01

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

  7. 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)

  8. 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)

  9. 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.

  10. the EXFOR interface

    SciTech Connect

    Brown, D. A.

    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

  11. 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)

  12. 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.

  13. Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys.

    PubMed

    Choudhuri, D; Banerjee, R; Srinivasan, S G

    2017-01-17

    The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β1-Mg3Nd precipitates, that grow along 〈110〉Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces- {112}β1/{100}Mg and {111}β1/{110}Mg- that are commensurate with β1/hcp-Mg orientation relationship via first principles calculations. We find that β1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112}β1/{100}Mg interfaces, and predict that β1 grows along 〈110〉Mg on dislocation lines due to the migration of metastable {111}β1/{110}Mg. Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β1-like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces.

  14. Foreword: Quasicrystals at Interfaces

    NASA Astrophysics Data System (ADS)

    Fournée, Vincent; Ledieu, Julian; Thiel, Patricia

    2008-08-01

    The term 'quasicrystals' stands for quasiperiodic crystals and by no means signifies that they are imperfect crystals. Quasicrystals represent a well-ordered state of matter just like periodic crystals, characterized by diffraction peaks as sharp as those for nearly perfect crystals such as silicon. But their long range order is aperiodic, and therefore they cannot be described by the periodic repetition of a small unit cell like normal crystals. Instead, quasiperiodic structures can be described as the three-dimensional restriction of a periodic structure embedded in a hyperspace of dimension N > 3. For example, a six-dimensional cubic lattice is used to generate the icosahedral quasilattice in three-dimensions. This is a general property of quasiperiodic functions, an archetype being the function f(x) = cos(x) + cos(√2x), which is the sum of two periodic functions with incommensurate periods. This function can be regarded as the restriction along the line with irrational slope y = √2x of the function F(x, y) = cos(x) + cos(y), which is periodic in the (x, y) plan. Quasicrystalline materials were discovered 25 years ago by D Shechtman et al in rapidly solidified Al-Mn alloys. Many quasicrystals have been identified since then in binary and ternary systems. Most of them present non-crystallographic rotational symmetry like five-fold or ten-fold axes. Interest in this new class of materials was further driven by their potentially useful physical properties, either in the form of functional coatings or as reinforcement particle in composites. These practical aspects in turn raised fundamental questions about the nature of interfaces between periodic and quasiperiodic materials. Interfaces are regions of high energy compared to the bulk, where atomic positions need to be adjusted on both sides of the interface to accommodate the two different lattices. How to describe interfaces and how nature minimizes the interface energy between a periodic and a quasiperiodic

  15. 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.

  16. 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.

  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

    2016-01-07

    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.

  18. The kinetics of energetic O‑ ions in oxygen discharge plasmas

    NASA Astrophysics Data System (ADS)

    Ponomarev, A. A.; Aleksandrov, N. L.

    2017-04-01

    Monte Carlo simulation was used to study the translational relaxation of energetic O‑ ions produced by dissociative electron attachment to O2 molecules in oxygen plasmas in a strong electric field. Initial O‑ ions have rather high energies and are more reactive than the ions reaching equilibrium with the electric field. Therefore, there is a noticeable probability that the energetic O‑ ions participate in endothermic reactions prior to energy relaxation of these ions. The probabilities of charge exchange, electron detachment and ion impact vibrational excitation of O2 molecules were calculated versus the reduced electric field. It was shown that up to 6% of energetic O‑ ions produced in oxygen by dissociative electron attachment to O2 molecules are rapidly transformed to {{{{O}}}2}- ions due to charge exchange collisions. The probability of electron detachment from energetic O‑ ions and the probability of vibrational excitation were smaller that the probability of charge exchange. Estimates showed that the increase in the effective rates of the ion–molecule reactions due to high reactivity of energetic O‑ ions can be important in oxygen plasmas for reduced electric fields of 50–100 Td.

  19. Highly energetic compositions based on functionalized carbon nanomaterials.

    PubMed

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

    2016-03-07

    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.

  20. 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.

  1. 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.

  2. 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.

  3. 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

  4. A model for investigating the behaviour of non-spherical particles at interfaces.

    PubMed

    Morris, G; Neethling, S J; Cilliers, J J

    2011-02-01

    This paper introduces a simple method for modelling non-spherical particles with a fixed contact angle at an interface whilst also providing a method to fix the particles orientation. It is shown how a wide variety of particle shapes (spherical, ellipsoidal, disc) can be created from a simple initial geometry containing only six vertices. The shapes are made from one continuous surface with edges and corners treated as smooth curves not discontinuities. As such, particles approaching cylindrical and orthorhombic shapes can be simulated but the contact angle crossing the edges will be fixed. Non-spherical particles, when attached to an interface can cause large distortions in the surface which affect the forces acting on the particle. The model presented is capable of resolving this distortion of the surface around the particle at the interface as well as allowing for the particle's orientation to be controlled. It is shown that, when considering orthorhombic particles with rounded edges, the flatter the particle the more energetically stable it is to sit flat at the interface. However, as the particle becomes more cube like, the effects of contact angle have a greater effect on the energetically stable orientations. Results for cylindrical particles with rounded edges are also discussed. The model presented allows the user to define the shape, dimensions, contact angle and orientation of the particle at the interface allowing more in-depth investigation of the complex phenomenon of 3D film distortion around an attached particle and the forces that arise due to it.

  5. 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

  6. Vacancies at the Cu–Nb semicoherent interface

    NASA Astrophysics Data System (ADS)

    Metsanurk, E.; Tamm, A.; Aabloo, A.; Klintenberg, M.; Caro, A.

    2017-02-01

    We present the 0 K structures and formation energies for vacancy clusters of up to four vacancies and migration barriers for a single vacancy at a semicoherent Kurdjumov–Sachs Cu–Nb interface using ab initio calculations. Two main results emerge from this study, first that the predicted vacancy structure is compact, differing notoriously with predictions based on available empirical potentials, and second that vacancy clusters containing up to four vacancies have a smaller formation energy than monovacancy in bulk. Additionally, the binding energies show that the vacancy clusters are energetically stable for clusters having up to four vacancies. Nudged elastic band calculations of migration barriers show that the migration of a vacancy from one misfit dislocation intersection to another is highly improbable due to the high barriers. These findings suggest that at nonzero temperatures the interface will be preloaded with vacancy clusters with a relatively large capture radius for interstitials in the interface plane, implying that the semicoherent Cu–Nb interface could be a highly effective sink for point defects that form due to irradiation.

  7. Coupled infrared laser-thermo-mechanical response of RDX-PCTFE energetic aggregates

    NASA Astrophysics Data System (ADS)

    Brown, Judith A.; Zikry, M. A.

    2016-04-01

    A computational approach is developed to investigate the coupled phenomena of high frequency electromagnetic (EM) wave propagation, laser heat absorption, thermal conduction, and inelastic dynamic thermo-mechanical deformation in heterogeneous energetic materials. The method is used to study hot spot formation in RDX-PCTFE aggregates subjected to high strain rate loads and infrared laser irradiation. The approach couples Maxwell's equations with a dislocation density-based crystal plasticity formulation within a nonlinear finite-element approach to predict and understand thermo-mechanical response due to the interrelated effects of dielectric heating, adiabatic heating, thermal decomposition, and heat conduction. RDX crystalline interfaces and orientations, polymer binder, inelastic strains, dislocation-density evolution, and voids significantly affected the coupled EM-thermo-mechanical response. EM and thermo-mechanical mismatches at interfaces between RDX crystals, binder, and voids resulted in localized regions with high electric field and laser heat generation rates, which subsequently led to hot spot formation. It is predicted that incident laser intensity and plastic shear strain localization are the dominant mechanisms that lead to hot spot formation.

  8. High-frequency magnetic oscillations of the organic metal θ-(ET)4ZnBr4(C6H4Cl2) in pulsed magnetic field of up to 81 T

    NASA Astrophysics Data System (ADS)

    Béard, J.; Billette, J.; Suleiman, M.; Frings, P.; Knafo, W.; Scheerer, G. W.; Duc, F.; Vignolles, D.; Nardone, M.; Zitouni, A.; Delescluse, P.; Lagarrigue, J.-M.; Giquel, F.; Griffe, B.; Bruyant, N.; Nicolin, J.-P.; Rikken, G. L. J. A.; Lyubovskii, R. B.; Shilov, G. V.; Zhilyaeva, E. I.; Lyubovskaya, R. N.; Audouard, A.

    2012-09-01

    De Haas-van Alphen oscillations of the organic metal θ-(ET)4ZnBr4(C6H4Cl2) are studied in pulsed magnetic fields up to 81 T. The long decay time of the pulse allows determining reliable field-dependent amplitudes of Fourier components with frequencies up to several kiloteslas. The Fourier spectrum is in agreement with the model of a linear chain of coupled orbits. In this model, all the observed frequencies are linear combinations of the frequency linked to the basic orbit α and to the magnetic-breakdown orbit β.

  9. Cohesive Strength of Metal/Ceramic Interfaces Fe/M[C,N] and the Role of Misfit Dislocations and Interface Roughness

    NASA Astrophysics Data System (ADS)

    Kontsevoi, Oleg Y.; Freeman, A. J.; Olson, G. B.

    2010-03-01

    The dispersed inclusions of carbides and nitrides were shown to provide superior fracture toughness and increased strength for steels. To obtain a fundamental understanding of their effect, we investigated the theoretical cohesive strength of Fe/M[C,N] (M=Ti,V,Nb,Mo) interfaces using the first principles calculations with the full-potential linearized augmented plane wave (FLAPW) method. For the coherent <100 >001Fe//<110 >001MC interfaces, the highest theoretical strength of 3.78 J/m^2 was obtained for the Fe/VC interface, and it decreases from V-Ti-Nb-Mo. The strength of nitride interfaces is 10-15% lower than for carbides. Within the Peierls-Nabarro model with ab initio generalized stacking fault energetics, we estimated that the misfit dislocations which may form due to lattice misfit decrease the interface strength by 20%. The strength of <110 >110Fe//<010 >100TiC semicoherent interfaces that contain primary misfit dislocations was found to be 30% lower. The effect of interface steps and roughness on strength is also investigated. We further identify the origins of strong interfacial bonding based on electronic structure and charge densities analyzes.

  10. 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.

  11. Multifunctional microcontrollable interface module

    NASA Astrophysics Data System (ADS)

    Spitzer, Mark B.; Zavracky, Paul M.; Rensing, Noa M.; Crawford, J.; Hockman, Angela H.; Aquilino, P. D.; Girolamo, Henry J.

    2001-08-01

    This paper reports the development of a complete eyeglass- mounted computer interface system including display, camera and audio subsystems. The display system provides an SVGA image with a 20 degree horizontal field of view. The camera system has been optimized for face recognition and provides a 19 degree horizontal field of view. A microphone and built-in pre-amp optimized for voice recognition and a speaker on an articulated arm are included for audio. An important feature of the system is a high degree of adjustability and reconfigurability. The system has been developed for testing by the Military Police, in a complete system comprising the eyeglass-mounted interface, a wearable computer, and an RF link. Details of the design, construction, and performance of the eyeglass-based system are discussed.

  12. Immunochemistry at interfaces.

    PubMed Central

    Nygren, H; Stenberg, M

    1989-01-01

    The immunochemistry of antibody binding to solid-phase immobilized antigen is reviewed. Experimental data are compared with different theoretical models of reaction mechanisms at solid-liquid interfaces. It was found that reactions at the solid-liquid interface can become limited by the diffusion rate due to depletion of reactants close to the surface, even though the intrinsic bimolecular reaction at the surface is reaction-rate limited. The forward reaction-rate constant decreases with increasing concentration of bound antibodies at the surface, and when not limited by diffusion the forward reaction rate can be more than 1000-fold slower than the corresponding reaction in a liquid solution. Possible explanations for this phenomenon are discussed. The dissociation of bound antibodies is a slow process at solid phases. The antigen-antibody complexes formed are practically irreversible. Some evidence is presented which indicates that the stability of these complexes can be due to attractive lateral interactions between bound antibodies. PMID:2649437

  13. 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.

  14. 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.

  15. Energetic N-trinitroethyl-substituted mono-, di-, and triaminotetrazoles.

    PubMed

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

    2013-08-12

    A series of dense energetic N-trinitroethyl-substituted mono-, bis-, and tri-5-aminotetrazoles were obtained by reacting primary amines with in situ generated cyanogen azide, followed by the trinitroethyl functionalization that involves a condensation of a hydroxymethyl intermediate (prepared by a reaction with formaldehyde) with trinitromethane. These compounds were fully characterized by using multinuclear NMR spectroscopy, IR, elemental analysis, differential scanning calorimetry (DSC), and, in one case with 9, with single-crystal XRD analysis. The heats of formation for all compounds were calculated with Gaussian 03 and then combined with experimental densities to determine the detonation pressures (P) and velocities (D(v)) of the energetic materials. Interestingly, most of them exhibited high density, good thermal stability, acceptable oxygen balance, positive heat of formation, low impact sensitivity, and excellent detonation properties, which highlighted their practical application potentials as a fascinating class of highly energetic materials.

  16. 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.

  17. Thermal safety characterization and explosion violence of energetic materials

    NASA Astrophysics Data System (ADS)

    Hsu, P. C.; Zhang, M. X.; Pagoria, P.; Springer, H. K.; Fried, L.

    2017-01-01

    Some explosives could thermally explode at fairly low temperatures and the violence from thermal explosion may cause significant damage. Thus it is important to understand the response of energetic materials to thermal insults. The One Dimensional Time to Explosion (ODTX) system at the Lawrence Livermore National Laboratory has been used since 1970 to measure times to explosion, threshold temperature for thermal explosion, and determine kinetic parameters of energetic materials. The ODTX testing can also provide useful data for assessing the thermal explosion violence of energetic materials. Recent ODTX experimental data on LLM-105, RX-55-DQ, and LLM-191 are reported in the paper. The new capabilities developed for the ODTX system are also briefly described.

  18. 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.

  19. Effect of energetic oxygen atoms on neutral density models.

    NASA Technical Reports Server (NTRS)

    Rohrbaugh, R. P.; Nisbet, J. S.

    1973-01-01

    The dissociative recombination of O2(+) and NO(+) in the F region results in the production of atomic oxygen and atomic nitrogen with substantially greater kinetic energy than the ambient atoms. In the exosphere these energetic atoms have long free paths. They can ascend to altitudes of several thousand kilometers and can travel horizontally to distances of the order of the earth's radius. The distribution of energetic oxygen atoms is derived by means of models of the ion and neutral densities for quiet and disturbed solar conditions. A distribution technique is used to study the motion of the atoms in the collision-dominated region. Ballistic trajectories are calculated in the spherical gravitational field of the earth. The present calculations show that the number densities of energetic oxygen atoms predominate over the ambient atomic oxygen densities above 1000 km under quiet solar conditions and above 1600 km under disturbed solar conditions.

  20. 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

  1. Laser-induced breakdown spectroscopy analysis of energetic materials

    NASA Astrophysics Data System (ADS)

    de Lucia, Frank C.; Harmon, Russell S.; McNesby, Kevin L.; Winkel, Raymond J.; Miziolek, Andrzej W.

    2003-10-01

    A number of energetic materials and explosives have been studied by laser-induced breakdown spectroscopy (LIBS). They include black powder, neat explosives such as TNT, PETN, HMX, and RDX (in various forms), propellants such as M43 and JA2, and military explosives such as C4 and LX-14. Each of these materials gives a unique spectrum, and generally the spectra are reproducible shot to shot. We observed that the laser-produced microplasma did not initiate any of the energetic materials studied. Extensive studies of black powder and its ingredients by use of a reference spectral library have demonstrated excellent accuracy for unknown identification. Finally, we observed that these nitrogen- and oxygen-rich materials yield LIBS spectra in air that have correspondingly different O:N peak ratios compared with air. This difference can help in the detection and identification of such energetic materials.

  2. Heliospheric energetic neutral atoms observed with SOHO/CELIAS/HSTOF

    NASA Astrophysics Data System (ADS)

    Hilchenbach, M.; Czechowski, A.; Hsieh, K. C.; Kallenbach, R.

    Energetic hydrogen and helium atoms ENAs have been identified and their fluxes are monitored by the High-Energy Suprathermal Time-of-Flight sensor HSTOF of the Charge Element and Isotope Analysis System CELIAS on the Solar and Heliospheric Observatory SOHO near the Lagrangian point L1 Potential sources of ENAs in the heliosphere are CIRs solar energetic particle events pre-accelerated pickup ions as well as low-energy up to few hundred keV anomalous cosmic ray ACR ions in the outer heliosphere close to and beyond the solar wind termination shock ENAs neutralized via charge transfer reactions can penetrate into the inner solar system unaffected by the interplanetary magnetic field The observed ENA fluxes set limits on potential theories of the dominant sources of the energetic neutral atoms and has implications on modeling of the heliosphere

  3. 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.

  4. 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.

  5. Double-kink Fishbone Instability Caused by Circulating Energetic Ions

    SciTech Connect

    Ya.I. Kolesnichenko; V.V. Lutsenko; V.S. Marchenko; R.B. White

    2004-01-12

    The destabilization of double kink modes by the circulating energetic ions in tokamaks with the plasma current having an off-axis maximum is studied. It is shown that the high-frequency fishbone instability [Energetic Particle Mode (EPM)] and the low-frequency (diamagnetic) fishbones are possible for such an equilibrium, their poloidal and toroidal mode numbers being not necessarily equal to unity. A new kind of the EPM instability, ''doublet fishbones,'' is predicted. This instability is characterized by two frequencies; it can occur in a plasma with a non-monotonic radial profile of the energetic ions when the particle orbit width is less than the width of the region where the mode is localized. It is found that the diamagnetic fishbone branch exists even when the orbit width exceeds the mode width; in this case, however, the instability growth rate is relatively small.

  6. Theory of magnetohydrodynamic instabilities excited by energetic particles in tokamaks

    SciTech Connect

    Chen, L. )

    1994-07-20

    The resonant excitations of high-n magnetohydrodynamic (MHD) instabilities by the energetic ions/alpha particles in tokamaks are theoretically analyzed. Here, n is the toroidal mode number. Since, typically, the MHD modes consist of two-scale structures; one singular ( inertial'') region and one regular (ideal) region, the energetic particle contributions in the singular region are suppressed by the finite-size orbits. Analytical dispersion relations can then be derived via the asymptotic matching analysis. The dispersion relations have the generic form of the fishbone'' dispersion relation and demonstrate, in particular, the existence of two types of modes; that is, the MHD gap mode and the energetic-particle continuum mode. Specific expressions are given for both the kinetic ballooning modes (KBM) and the toroidal Alfven modes (TAM). It is suggested that the stability property may be qualitatively regarded as the hybrid'' of conventional MHD tokamaks and field reversed ion rings. [copyright]American Institute of Physics

  7. Theory of magnetohydrodynamic instabilities excited by energetic particles in tokamaks

    SciTech Connect

    Chen, L. )

    1994-05-01

    The resonant excitations of high-[ital n] magnetohydrodynamic instabilities by the energetic ions/alpha particles in tokamaks are theoretically analyzed. Here, [ital n] is the toroidal mode number. The magnetohydrodynamic eigenmodes, typically, consist of two-scale structures; one corresponds to the singular ( inertial'') region and the other the regular (ideal) region. Due to the finite-size orbits, the energetic particle contributions in the singular region are suppressed. Analytical dispersion relations can be derived via the asymptotic matching analysis. The dispersion relations have the generic form of the fishbone'' dispersion relation [Phys. Rev. Lett. [bold 52], 1122 (1984)] and demonstrate, in particular, the existence of two types of modes; that is, the discrete gap mode and the energetic-particle continuum mode. Specific expressions are given for both the kinetic ballooning modes and the toroidal Alfven modes.

  8. 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.

  9. 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.

  10. Magnetic multilayer interface anisotropy

    SciTech Connect

    Pechan, M.J.

    1990-01-01

    Ni/Mo and Ni/V multilayer magnetic anisotropy has been investigated as a function of Ni layer thickness, frequency and temperature. Variable frequency ferromagnetic resonance (FMR) measurements show, for the first time, significant frequency dependence associated with the multilayer magnetic anisotropy. The thickness dependence allows one to extract the interface contribution from the total anisotropy. Temperature dependent FMR (9 GHz) and room temperature magnetization indicate that strain between Ni and the non-magnetic layers is contributing significantly to the source of the interface anisotropy and the state of the interfacial magnetization. In order to examine the interface properties of other transition metal multilayer systems, investigations on Fe/Cu are underway and CoCr/Ag is being proposed. ESR measurements have been reported on Gd substituted YBaCuO superconductors and a novel quasi-equilibrium method has been developed to determine quickly and precisely the transition temperature. During the next project period the P.I. proposes to (1) extend the variable frequency FMR measurements to low temperature, where extremely large interface anisotropies are known to obtain in Ni/Mo and Ni/V and are proposed to exist in Ni/W; (2) obtain accurate dc anisotropies via a novel, variable temperature torque magnetometer currently under construction; (3) expand upon his initial findings in Fe/Cu multilayer investigations; (4) begin anisotropy investigations on Co/Ag and CoCr/Ag multilayers where the easy magnetization direction depends upon the Cr concentration; (4) make and characterize Bi based superconductors according to resistivity, thermal conductivity and thermoelectric power and construct YBaCuO based superconducting loop-gap'' resonators for use in his magnetic resonance work.

  11. Magnetic multilayer interface anisotropy

    SciTech Connect

    Pechan, M.J.

    1991-01-01

    Ni/Mo and Ni/V multilayer magnetic anisotropy has been investigated as a function of Ni layer thickness, frequency and temperature. Variable frequency ferromagnetic resonance (FMR) measurements show, for the first time, significant frequency dependence associated with the multilayer magnetic anisotropy. The thickness dependence allows one to extract the interface contribution from the total anisotropy. Temperature dependant FMR (9 GHz) and room temperature magnetization indicate that strain between Ni and the non-magnetic layers if contributing significantly to the source of the interface anisotropy and the state of the interfacial magnetization. In order to examine the interface properties of other transition metal multilayer systems, investigations on Fe/Cu are underway and CoCr/Ag is being proposed. ESR measurements have been reported on Gd substituted YBaCuO superconductors and a novel quasi-equilibrium method has been developed to determine quickly and precisely the transition temperature. During the next project the P.I. proposes to (1) extend the variable frequency FMR measurements to low temperature, where extremely large interface anisotropies are known to obtain in Ni/Mo and Ni/V and are proposed to exist in Ni/W; (2) obtain accurate dc anisotropies via a novel, variable temperature torque magnetometer currently under construction; (3) expand upon his initial findings in Fe/Cu multilayer investigations; (4) begin anisotropy investigations on Co/Ag and CoCr/Ag multilayers where the easy magnetization direction depends upon the Cr concentration; (4) make and characterize Bi based superconductors according to resistivity, thermal conductivity and thermoelectric power and construct YBaCuO based superconducting loop-gap'' resonators for use in his magnetic resonance work. 2 figs.

  12. Metaphors for Interface Design

    DTIC Science & Technology

    1987-04-01

    deturms what soa of thing the user thinks the computer is. Is it a conversational parmer? An environment for action? A tool box and materials shed...user takes that action. It means instead that it is simply not possible, using dte tools that the interface language pro- vides, to generate an...manipulated by the people in the course of doing the task. These include the navigation chart, plotting tools , measurement tools , written records

  13. 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

  14. User Interface Software Tools

    DTIC Science & Technology

    1994-08-01

    97. 19. Mark A. Flecchia and R. Daniel Bergeron. Specifying Complex Dialogs in ALGAE. Human Factors in Computing Systems, CHI+GI󈨛, Toronto, Ont...Spreadsheet Model. Tech. Rept. GIT-GVU-93-20, Georgia Tech Graphics, Visualization and Usability Center, May, 1993. 35. Daniel H.H. Ingalls. "I’he Smalltalk...Interactive Graphical Applications". Comm. ACM 36,4 (April 1993), 41-55. User Interface Software Tools -39 38. Anthony Karrer and Walt Scacchi . Requirements

  15. 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.

  16. User Interface Design Patterns

    DTIC Science & Technology

    2010-07-01

    the beginning of our research) led us to Glade (glade.gnome.org), a cross- platform GUI builder platform that saves its descriptive files in XML format...Major consideration was initially given to Java Netbeans and Java Eclipse, and later extended to Glade .) The saved XML files fully describe... Glade -designed user interfaces. Glade libraries are available for numerous programming languages on many computing platforms. This makes the choice of

  17. 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.

  18. 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.

  19. Systems interface biology.

    PubMed

    Doyle, Francis J; Stelling, Jörg

    2006-10-22

    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.

  20. Optical Neural Interfaces

    PubMed Central

    Warden, Melissa R.; Cardin, Jessica A.; Deisseroth, Karl

    2014-01-01

    Genetically encoded optical actuators and indicators have changed the landscape of neuroscience, enabling targetable control and readout of specific components of intact neural circuits in behaving animals. Here, we review the development of optical neural interfaces, focusing on hardware designed for optical control of neural activity, integrated optical control and electrical readout, and optical readout of population and single-cell neural activity in freely moving mammals. PMID:25014785

  1. 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.

  2. ADAM -- Interface Module Reference Manual

    NASA Astrophysics Data System (ADS)

    Chipperfield, A. J.; Kelly, B. D.; Wright, S. L.

    ADAM Interface Modules provide an interface between ADAM application programs and the rest of the system. This document describes in detail the facilities available with ADAM Interface Modules and the rules for using them. It is intended as a reference manual and should shed light on some of the finer points of the ADAM parameter system. Readers requiring an introduction to Interface Modules should read SG/4.

  3. 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.

  4. Toward Accurate Adsorption Energetics on Clay Surfaces

    PubMed Central

    2016-01-01

    Clay minerals are ubiquitous in nature, and the manner in which they interact with their surroundings has important industrial and environmental implications. Consequently, a molecular-level understanding of the adsorption of molecules on clay surfaces is crucial. In this regard computer simulations play an important role, yet the accuracy of widely used empirical force fields (FF) and density functional theory (DFT) exchange-correlation functionals is often unclear in adsorption systems dominated by weak interactions. Herein we present results from quantum Monte Carlo (QMC) for water and methanol adsorption on the prototypical clay kaolinite. To the best of our knowledge, this is the first time QMC has been used to investigate adsorption at a complex, natural surface such as a clay. As well as being valuable in their own right, the QMC benchmarks obtained provide reference data against which the performance of cheaper DFT methods can be tested. Indeed using various DFT exchange-correlation functionals yields a very broad range of adsorption energies, and it is unclear a priori which evaluation is better. QMC reveals that in the systems considered here it is essential to account for van der Waals (vdW) dispersion forces since this alters both the absolute and relative adsorption energies of water and methanol. We show, via FF simulations, that incorrect relative energies can lead to significant changes in the interfacial densities of water and methanol solutions at the kaolinite interface. Despite the clear improvements offered by the vdW-corrected and the vdW-inclusive functionals, absolute adsorption energies are often overestimated, suggesting that the treatment of vdW forces in DFT is not yet a solved problem. PMID:27917256

  5. 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.

  6. Suppression of energetic particle driven instabilities with HHFW heating

    NASA Astrophysics Data System (ADS)

    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 2000 Nucl. Fusion 40 557) heated with neutral beams, the beam ions typically excite energetic particle modes (or fishbones), and toroidal, global or compressional Alfvén eigenmodes. 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.

  7. 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.

  8. 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.

  9. Origins of energetic ions in the Earth's magnetosheath

    NASA Technical Reports Server (NTRS)

    1994-01-01

    This final report describes activities under NASA contract NAS5-31213 to Lockheed Missiles and Space Company. The report covers the entire contract period from 8 May 1991 to 7 Jun. 1994. This is a contract under the NASA Guest Investigator Program for the analysis and interpretation of the combined scientific data from the Hot Plasma Composition Experiment (HPCE) and the Charge Energy Mass (CHEM) spectrometer on the AMPTE/Charge Composition Explorer (CCE) spacecraft. These combined data sets have been used to survey the energetic ion environment in the earth's magnetosheath to determine the origins and relative strengths of the energetic ion populations found there.

  10. Origins of energetic ions in the Earth's magnetosheath

    NASA Astrophysics Data System (ADS)

    1994-06-01

    This final report describes activities under NASA contract NAS5-31213 to Lockheed Missiles and Space Company. The report covers the entire contract period from 8 May 1991 to 7 Jun. 1994. This is a contract under the NASA Guest Investigator Program for the analysis and interpretation of the combined scientific data from the Hot Plasma Composition Experiment (HPCE) and the Charge Energy Mass (CHEM) spectrometer on the AMPTE/Charge Composition Explorer (CCE) spacecraft. These combined data sets have been used to survey the energetic ion environment in the earth's magnetosheath to determine the origins and relative strengths of the energetic ion populations found there.

  11. A perspective on modeling the multiscale response of energetic materials

    NASA Astrophysics Data System (ADS)

    Rice, Betsy M.

    2017-01-01

    The response of an energetic material to insult is perhaps one of the most difficult processes to model due to concurrent chemical and physical phenomena occurring over scales ranging from atomistic to continuum. Unraveling the interdependencies of these complex processes across the scales through modeling can only be done within a multiscale framework. In this paper, I will describe progress in the development of a predictive, experimentally validated multiscale reactive modeling capability for energetic materials at the Army Research Laboratory. I will also describe new challenges and research opportunities that have arisen in the course of our development which should be pursued in the future.

  12. Higher-order-mode fiber optimized for energetic soliton propagation.

    PubMed

    Pedersen, Martin E V; Cheng, Ji; Charan, Kriti; Wang, Ke; Xu, Chris; Grüner-Nielsen, Lars; Jakobsen, Dan

    2012-08-15

    We describe the design optimization of a higher-order-mode (HOM) fiber for energetic soliton propagation at wavelengths below 1300 nm. A new HOM fiber is fabricated according to our design criteria. The HOM fiber is pumped at 1045 nm by an energetic femtosecond fiber laser. The soliton self-frequency shift process shifts the center wavelength of the soliton to 1085 nm. The soliton has a temporal duration of 216 fs and a pulse energy of 6.3 nJ. The demonstrated pulse energy is approximately six times higher than the previous record in a solid core fiber at wavelengths below 1300 nm.

  13. 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.

  14. 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.

  15. 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.

  16. Destabilization of the internal kink by energetic-circulating ions

    SciTech Connect

    Betti, R. ); Freidberg, J.P. )

    1993-05-31

    A stability analysis is carried out for the [ital m]=1 internal kink mode, in the presence of energetic circulating particles. It is found that, including the effect of finite radial particle-orbit excursion, the [ital m]=1 internal kink mode is strongly destabilized by the resonance interaction with the energetic passing particles. Such an instability could explain the experimental observations of the fishbone'' oscillations during tangential neutral beam injection [W. W. Heidbrink [ital et] [ital al]., Phys. Rev. Lett. 57, 835 (1986)].

  17. 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.…

  18. Special Interfaces for Special Students.

    ERIC Educational Resources Information Center

    Tinker, Robert

    1983-01-01

    Computer software can be made accessible to physically handicapped individuals using interfaces. The trick performed by the interface is to make the handicapped individual's responses mediated through the interface indistinguishable from inputs that the software expects from users in normal hardware configurations. Several of these keyboard…

  19. User interfaces for voice applications.

    PubMed Central

    Kamm, C

    1995-01-01

    This paper discusses some of the aspects of task requirements, user expectations, and technological capabilities that influence the design of a voice interface and then identifies several components of user interfaces that are particularly critical in successful voice applications. Examples from several applications are provided to demonstrate how these components are used to produce effective voice interfaces. PMID:7479721

  20. User interfaces for voice applications.

    PubMed

    Kamm, C

    1995-10-24

    This paper discusses some of the aspects of task requirements, user expectations, and technological capabilities that influence the design of a voice interface and then identifies several components of user interfaces that are particularly critical in successful voice applications. Examples from several applications are provided to demonstrate how these components are used to produce effective voice interfaces.

  1. User Interfaces for Voice Applications

    NASA Astrophysics Data System (ADS)

    Kamm, Candace

    1995-10-01

    This paper discusses some of the aspects of task requirements, user expectations, and technological capabilities that influence the design of a voice interface and then identifies several components of user interfaces that are particularly critical in successful voice applications. Examples from several applications are provided to demonstrate how these components are used to produce effective voice interfaces.

  2. 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…

  3. Energetic composite and system with enhanced mechanical sensitivity to initiation of self-sustained reaction

    DOEpatents

    Gash, Alexander E [Brentwood, CA; Barbee, Jr., Troy W.

    2012-05-29

    An energetic composition and system using amassed energetic multilayer pieces which are formed from the division, such as for example by cutting, scoring, breaking, crushing, shearing, etc., of a mechanically activatable monolithic energetic multilayer(s) (e.g. macro-scale sheets of multilayer films), for enhancing the sensitivity of the energetic composite and system to mechanical initiation of self-sustained reaction. In particular, mechanical initiation of the energetic composition may be achieved with significantly lower mechanical energy inputs than that typically required for initiating the monolithic energetic multilayers from which it is derived.

  4. Observations of energetic particle escape at the magnetopause: Early results from the MMS Energetic Ion Spectrometer (EIS)

    NASA Astrophysics Data System (ADS)

    Cohen, I. J.; Mauk, B. H.; Anderson, B. J.; Westlake, J. H.; Sibeck, D. G.; Giles, B. L.; Pollock, C. J.; Turner, D. L.; Fennell, J. F.; Blake, J. B.; Clemmons, J. H.; Jaynes, A. N.; Baker, D. N.; Craft, J. V.; Spence, H. E.; Niehof, J. T.; Reeves, G. D.; Torbert, R. B.; Russell, C. T.; Strangeway, R. J.; Magnes, W.; Trattner, K. J.; Fuselier, S. A.; Burch, J. L.

    2016-06-01

    Energetic (greater than tens of keV) magnetospheric particle escape into the magnetosheath occurs commonly, irrespective of conditions that engender reconnection and boundary-normal magnetic fields. A signature observed by the Magnetospheric Multiscale (MMS) mission, simultaneous monohemispheric streaming of multiple species (electrons, H+, Hen+), is reported here as unexpectedly common in the dayside, dusk quadrant of the magnetosheath even though that region is thought to be drift-shadowed from energetic electrons. This signature is sometimes part of a pitch angle distribution evolving from symmetric in the magnetosphere, to asymmetric approaching the magnetopause, to monohemispheric streaming in the magnetosheath. While monohemispheric streaming in the magnetosheath may be possible without a boundary-normal magnetic field, the additional pitch angle depletion, particularly of electrons, on the magnetospheric side requires one. Observations of this signature in the dayside dusk sector imply that the static picture of magnetospheric drift-shadowing is inappropriate for energetic particle dynamics in the outer magnetosphere.

  5. Protein Denaturants at Aqueous–Hydrophobic Interfaces: Self-Consistent Correlation between Induced Interfacial Fluctuations and Denaturant Stability at the Interface

    PubMed Central

    2015-01-01

    The notion of direct interaction between denaturing cosolvent and protein residues has been proposed in dialogue relevant to molecular mechanisms of protein denaturation. Here we consider the correlation between free energetic stability and induced fluctuations of an aqueous–hydrophobic interface between a model hydrophobically associating protein, HFBII, and two common protein denaturants, guanidinium cation (Gdm+) and urea. We compute potentials of mean force along an order parameter that brings the solute molecule close to the known hydrophobic region of the protein. We assess potentials of mean force for different relative orientations between the protein and denaturant molecule. We find that in both cases of guanidinium cation and urea relative orientations of the denaturant molecule that are parallel to the local protein–water interface exhibit greater stability compared to edge-on or perpendicular orientations. This behavior has been observed for guanidinium/methylguanidinium cations at the liquid–vapor interface of water, and thus the present results further corroborate earlier findings. Further analysis of the induced fluctuations of the aqueous–hydrophobic interface upon approach of the denaturant molecule indicates that the parallel orientation, displaying a greater stability at the interface, also induces larger fluctuations of the interface compared to the perpendicular orientations. The correlation of interfacial stability and induced interface fluctuation is a recurring theme for interface-stable solutes at hydrophobic interfaces. Moreover, observed correlations between interface stability and induced fluctuations recapitulate connections to local hydration structure and patterns around solutes as evidenced by experiment (Cooper et al., J. Phys. Chem. A2014, 118, 5657.) and high-level ab initio/DFT calculations (Baer et al., Faraday Discuss2013, 160, 89). PMID:25536388

  6. Interfacial structures and energetics of the strengthening precipitate phase in creep-resistant Mg-Nd-based alloys

    PubMed Central

    Choudhuri, D.; Banerjee, R.; Srinivasan, S. G.

    2017-01-01

    The extraordinary creep-resistance of Mg-Nd-based alloys can be correlated to the formation of nanoscale-platelets of β1-Mg3Nd precipitates, that grow along 〈110〉Mg in bulk hcp-Mg and on dislocation lines. The growth kinetics of β1 is sluggish even at high temperatures, and presumably occurs via vacancy migration. However, the rationale for the high-temperature stability of precipitate-matrix interfaces and observed growth direction is unknown, and may likely be related to the interfacial structure and excess energy. Therefore, we study two interfaces– {112}β1/{100}Mg and {111}β1/{110}Mg– that are commensurate with β1/hcp-Mg orientation relationship via first principles calculations. We find that β1 acquires plate-like morphology to reduce small lattice strain via the formation of energetically favorable {112}β1/{100}Mg interfaces, and predict that β1 grows along 〈110〉Mg on dislocation lines due to the migration of metastable {111}β1/{110}Mg. Furthermore, electronic charge distribution of the two interfaces studied here indicated that interfacial-energy of coherent precipitates is sensitive to the population of distorted lattice sites, and their spatial extent in the vicinity of interfaces. Our results have implications for alloy design as they suggest that formation of β1-like precipitates in the hcp-Mg matrix will require well-bonded coherent interface along precipitate broad-faces, while simultaneously destabilizing other interfaces. PMID:28094302

  7. Early results on energetic particle dynamics and structure from the Energetic Ion Spectrometer (EIS) on the Magnetospheric Multiscale (MMS) mission

    NASA Astrophysics Data System (ADS)

    Cohen, I. J.; Mauk, B.; Westlake, J. H.; Anderson, B. J.; Turner, D. L.; Fennell, J. F.; Spence, H. E.; Baker, D. N.; Pollock, C. J.; Torbert, R. B.; Blake, J. B.; Sibeck, D. G.

    2015-12-01

    The cluster of four, formation-flying spacecraft, comprising the Magnetospheric Multiscale (MMS) mission, launched on 13 March 2015 into near equatorial 1.2 x 12 RE orbits, provides an important new asset for assessing the transport of energy and matter from the distant regions of Earth's magnetosphere into the inner regions. Here we report on early results from the Energetic Ion Spectrometer (EIS) instrument on each of the MMS Spacecraft. EIS provides nearly all-sky energetic ion energy, angle and elemental compositional distributions for < 20 keV for protons and 45 keV for oxygen ions, up to > 1 MeV. It also measures energetic electrons from 25 keV to > 0.5 MeV in support and coordination with the electron-focused Fly's Eye Energetic Particle Spectrometer (FEEPS). During the early phase of the MMS mission, while the full complement of instruments was being commissioned prior to the prime mission phase beginning 1 September 2015, EIS observed dynamic energetic particle injections at the root of the magnetotail between the post-midnight regions and dawn in association with numerous dipolarization fronts and related processes. Here we report on coordinated measurements between MMS's EIS instrument and EIS's sister instrument on the Van Allen Probes, RBSPICE, to further address the relationship between dynamic injections and depolarization fronts in the magnetotail and injections observed deep within the magnetosphere's ring current regions. We also report preliminary result on using energetic particle gradients and anistotropies to diagnose magnetopause structures near mission-identified reconnection sites.

  8. Single-interface Casimir torque

    NASA Astrophysics Data System (ADS)

    Morgado, Tiago A.; Silveirinha, Mário G.

    2016-10-01

    A different type of Casimir-type interaction is theoretically predicted: a single-interface torque at a junction of an anisotropic material and a vacuum or another material system. The torque acts to reorient the polarizable microscopic units of the involved materials near the interface, and thus to change the internal structure of the materials. The single-interface torque depends on the zero-point energy of the interface localized and extended modes. Our theory demonstrates that the single-interface torque is essential to understand the Casimir physics of material systems with anisotropic elements and may influence the orientation of the director of nematic liquid crystals.

  9. Ion energetics at Saturn's magnetosphere using Cassini/MIMI measurements: A simple model for the energetic ion integral moments

    NASA Astrophysics Data System (ADS)

    Dialynas, K.; Paranicas, C.; Roussos, E.; Krimigis, S. M.; Kane, M.; Mitchell, D. G.

    2015-12-01

    We present a composite analysis (H+ and O+) of energetic ion spectra and kappa distribution fits, using combined ion measurements from Charge Energy Mass Spectrometer (CHEMS, 3 to 236 keV/e), Low Energy Magnetospheric Measurements System (LEMMS, 0.024 < E < 18 MeV), and the Ion Neutral Camera (INCA, ~5.2 to >220 keV for H+). The modeled expressions of these energetic ion distributions are then used to obtain the four integral particle moments (from zeroth to 3rd moment: n, In, P, IE, i.e. Density, Integral number intensity, Pressure, Integral energy intensity) as well as the characteristic energy (EC=IE/In) of these ions as a function of Local Time and L-Shell. We find that a) protons dominate the energetic ion (>30 keV) integral number and energy intensity at all radial distances (L>5 Rs) and local times, while the H+ and O+ partial pressures and densities are comparable; b) the 12energetics (compared to the contribution of charge exchange with the Saturnian neutral cloud); c) energetic ion bundles in the 12energetic particle blobs shown in previous studies, produce durable signatures (enhancements) in the H+ and O+ pressure, density and temperature; d) energetic ions are depleted inside the orbit of Rhea (~8 Rs), i.e. the energetic ion lifetimes due to charge exchange decrease significantly with decreasing distance in the innermost parts of Saturn's magnetosphere, so that pressure and density drop to minimum inside ~8 Rs. We then utilize a technique to retrieve the equatorial H+ and O+ pressure, density and temperature in Saturn's magnetosphere, using a modified version of the Roelof and Skinner [2000] model in both local time and L-shell. Roelof, E. C., and A. J. Skinner (2000), Space Sci. Rev., 91, 437-459.

  10. Recombination, dissociation, and transport of ion pairs across the liquid/liquid interface. implications for phase transfer catalysis.

    PubMed

    Benjamin, Ilan

    2013-04-25

    Molecular dynamics simulations are used to calculate several free energy profiles relevant to the recombination/dissociation and transport of individual ions and ion pairs across the water/chloroform interface. Tetra methyl ammonium (TMA(+)) and tetra butyl ammonium (TBA(+)) (typically used as phase transfer catalysts) and a chloride ion (as an example of a transferred nucleophile) are considered. The free-energy profiles for the transfer of the three ions and the two ion pairs (TMA(+)Cl(-) and TBA(+)Cl(-)) across the interface, as well as the potential of mean force for the dissociation of these two ion pairs at different interface locations, are calculated and correlated with structural and energetic changes at the interface. These equilibrium calculations, together with nonequilibrium trajectory calculations, provide molecular insight into the mechanism of phase transfer catalysis. In particular, water surface fluctuations are strongly coupled to the ion-pair location along the interface normal and the ion-pair bond length.

  11. 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.

  12. Matched Interface and Boundary Method for Elasticity Interface Problems

    PubMed Central

    Wang, Bao; Xia, Kelin; Wei, Guo-Wei

    2015-01-01

    Elasticity theory is an important component of continuum mechanics and has had widely spread applications in science and engineering. Material interfaces are ubiquity in nature and man-made devices, and often give rise to discontinuous coefficients in the governing elasticity equations. In this work, the matched interface and boundary (MIB) method is developed to address elasticity interface problems. Linear elasticity theory for both isotropic homogeneous and inhomogeneous media is employed. In our approach, Lamé’s parameters can have jumps across the interface and are allowed to be position dependent in modeling isotropic inhomogeneous material. Both strong discontinuity, i.e., discontinuous solution, and weak discontinuity, namely, discontinuous derivatives of the solution, are considered in the present study. In the proposed method, fictitious values are utilized so that the standard central finite different schemes can be employed regardless of the interface. Interface jump conditions are enforced on the interface, which in turn, accurately determines fictitious values. We design new MIB schemes to account for complex interface geometries. In particular, the cross derivatives in the elasticity equations are difficult to handle for complex interface geometries. We propose secondary fictitious values and construct geometry based interpolation schemes to overcome this difficulty. Numerous analytical examples are used to validate the accuracy, convergence and robustness of the present MIB method for elasticity interface problems with both small and large curvatures, strong and weak discontinuities, and constant and variable coefficients. Numerical tests indicate second order accuracy in both L∞ and L2 norms. PMID:25914439

  13. Matched Interface and Boundary Method for Elasticity Interface Problems.

    PubMed

    Wang, Bao; Xia, Kelin; Wei, Guo-Wei

    2015-09-01

    Elasticity theory is an important component of continuum mechanics and has had widely spread applications in science and engineering. Material interfaces are ubiquity in nature and man-made devices, and often give rise to discontinuous coefficients in the governing elasticity equations. In this work, the matched interface and boundary (MIB) method is developed to address elasticity interface problems. Linear elasticity theory for both isotropic homogeneous and inhomogeneous media is employed. In our approach, Lamé's parameters can have jumps across the interface and are allowed to be position dependent in modeling isotropic inhomogeneous material. Both strong discontinuity, i.e., discontinuous solution, and weak discontinuity, namely, discontinuous derivatives of the solution, are considered in the present study. In the proposed method, fictitious values are utilized so that the standard central finite different schemes can be employed regardless of the interface. Interface jump conditions are enforced on the interface, which in turn, accurately determines fictitious values. We design new MIB schemes to account for complex interface geometries. In particular, the cross derivatives in the elasticity equations are difficult to handle for complex interface geometries. We propose secondary fictitious values and construct geometry based interpolation schemes to overcome this difficulty. Numerous analytical examples are used to validate the accuracy, convergence and robustness of the present MIB method for elasticity interface problems with both small and large curvatures, strong and weak discontinuities, and constant and variable coefficients. Numerical tests indicate second order accuracy in both L∞ and L2 norms.

  14. Radical Reactions in the Decomposition of Energetic Materials

    DTIC Science & Technology

    2014-10-08

    PLEASE DO NOT RETURN YOUR FORM TO THE ABOVE ADDRESS. University of Chicago 5801 South Ellis Avenue Chicago , IL 60637 -5418 ABSTRACT Final Report...Decomposition of Energetic Materials" L. J. Butler, The University of Chicago W911NF1010314, Program Manager James Parker Final  Report  for

  15. Kinetic effects of energetic particles on resistive MHD stability.

    PubMed

    Takahashi, R; Brennan, D P; Kim, C C

    2009-04-03

    We show that the kinetic effects of energetic particles can play a crucial role in the stability of the m/n=2/1 tearing mode in tokamaks (e.g., JET, JT-60U, and DIII-D), where the fraction of energetic particle beta(frac) is high. Using model equilibria based on DIII-D experimental reconstructions, the nonideal MHD linear stability of cases unstable to the 2/1 mode is investigated including a deltaf particle-in-cell model for the energetic particles coupled to the nonlinear 3D resistive MHD code NIMROD [C. C. Kim et al., Phys. Plasmas 15, 072507 (2008)10.1063/1.2949704]. It is observed that energetic particles have significant damping and stabilizing effects at experimentally relevant beta, beta(frac), and S, and excite a real frequency of the 2/1 mode. Extrapolation of the results is discussed for implications to JET and ITER, where the effects are projected to be significant.

  16. Energetic electrons in the midlatitude nighttime E-region

    NASA Technical Reports Server (NTRS)

    Smith, L. G.; Geller, M. A.; Voss, H. D.

    1974-01-01

    An analysis of electron density profiles in the upper E region near midnight at Wallops Island is shown to indicate that the ionization rate is very strongly correlated with geomagnetic activity. This suggests that energetic electrons are the principal source of ionization at midlatitudes in the upper E region near midnight, even under rather quiet geomagnetic conditions.

  17. Energetic particles flux experiment for ISEE mother/daughter spacecraft

    NASA Technical Reports Server (NTRS)

    Anderson, K. A.

    1981-01-01

    The history of the energetic particle experiments on the International Sun Earth Explorer 1 and 2 spacecraft is outlined, and descriptions of the instruments are given. The inflight performance and data analysis are summarized. The research is completed and ongoing are described and a bibliography is included.

  18. Solar Source Regions of Energetic 3He Emission

    NASA Astrophysics Data System (ADS)

    Mason, G. M.; Nitta, N. V.; Cohen, C. M.; Wiedenbeck, M. E.

    2012-12-01

    One of the surprising observations from the ACE mission has been the detection of energetic 3He emission occurring over multi-day periods. Previously observations of solar energetic 3He had detected short-lived "impulsive" energetic particle events which were associated with type III bursts and energetic electrons. The ACE observations were able to detect 3He at very low levels (<1% of 4He compared to ~10% in most earlier work) and this showed that the impulsive events often occurred during seemingly continuous multi-day periods of 3He emission. During solar active periods, 3He was present at 1 AU the majority of the time, giving evidence for either semi-continuous processes or else unresolved multiple small injections. The obvious injections during such periods were strongly associated with jet activity By adding STEREO and SDO observations we are seeking to extend the observational picture for these events. First, by following single 3He emitting regions from STEREO-B to ACE to STEREO-A we seek to examine for how long the 3He emission can continue, since any single spacecraft can be magnetically connected to a single region for only a few days and ACE often sees emission periods of that length. Second, by using SDO-AIA we seek to probe further the properties of the emitting regions to see if the previously reported association with jets is seen in events which we can now observe with greater resolution, sensitivity, and cadence than previously possible.

  19. Atomistic studies of transformation pathways and energetics in plutonium

    SciTech Connect

    Groger, Roman; Lookman, Turab; Saxena, Avadh

    2008-01-01

    One of the most challenging problems in understanding the structural phase transformations in Pu is to determine the energetically favoured, continuous atomic pathways from one crystal symmetry to another. This problem involves enumerating candidate pathways and studying their energetics to garner insight into instabilities and energy barriers. The purpose of this work is to investigate the energetics of two transformation pathways for the {delta} {yields} {alpha}' transformation in Pu that were recently proposed on the basis of symmetry. These pathways require the presence of either an intermediate hexagonal closed-packed (hcp) structure or a simple hexagonal (sh) structure. A subgroup of the parent fcc and the intermediate hexagonal structure, which has trigonal symmetry, facilitates the transformation to the intermediate hcp or sh structure. Phonons then break the translational symmetry from the intermediate hcp or sh structure to the final monoclinic symmetry of the {alpha}' structure. We perform simulations using the modified embedded atom method (MEAM) for Pu to investigate these candidate pathways. Our main conclusion is that the path via hcp is energetically favoured and the volume change for both pathways essentially occurs in the second step of the transformation, i.e. from the intermediate sh or hcp to the monoclinic structure. Our work also highlights the deficiency of the current state-of-the-art MEAM potential in capturing the anisotropy associated with the lower symmetry monoclinic structure.

  20. Rendering non-energetic microporous coordination polymers explosive.

    PubMed

    McDonald, Kyle A; Bennion, Jonathan C; Leone, Amanda K; Matzger, Adam J

    2016-09-18

    Adsorption of oxidizing guest molecules into a non-energetic microporous coordination polymer produces explosives with desirable oxygen balance, high heat released upon decomposition, and suppressed vapor pressure of the guest. Here, this results in primary explosives, materials very sensitive to impact, that have the potential to be used as replacements for lead-based initiators.

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

    NASA Technical Reports Server (NTRS)

    Tenenbaum, J.

    1982-01-01

    Integrated and spectral error energetics of the 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, particularly above strong initial jet streams associated in part with regions of steep terrain. The spectral error growth study represents the first comparison of general circulation model spectral energetics predictions with the corresponding observational spectra on a day by day basis. The major conclusion is that eddy kinetics energy can be correct while significant errors occur in the kinetic energy of wavenumber 3. Both the model and observations show evidence of single wavenumber dominance in eddy kinetic energy and the correlation of spectral kinetics and potential energy.

  2. Origins of energetic ions in the Earth's magnetosheath

    NASA Technical Reports Server (NTRS)

    Fuselter, S. A.; Shelley, E. G.; Klumpar, D. M.

    1992-01-01

    The analysis and interpretation of the combined scientific data from the Hot Plasma Composition Experiment (HPCE) and the Charge Energy Mass (CHEM) spectrometer on the Active Mesospheric Particle Tracer Experiment (AMPTE) Charge Composition Explorer (CCE) spacecraft are discussed. These combined data sets have and will be used to survey the energetic ion environment in the Earth's magnetosheath to determine the origins and relative strengths of the energetic ion populations found there. A computer code was developed to analyze and interpret the data sets. The focus of the first year was on the determination of the contribution of leaked magnetospheric protons to the total energetic proton population. Emphasis was placed on intervals when the AMPTE spacecraft was in the plasma depletion layer because it was argued that in this region, only the leaked population contributes to the energetic ion population. Manipulation of the CHEM data and comparison of the CHEM and HPCE data over their common energy range near the magnetopause also contributed directly to a second study of that region.

  3. Energetic ion production and electrode erosion in hollow cathode discharges

    NASA Technical Reports Server (NTRS)

    Goebel, Dan M.; Jameson, Kristina; Katz, Ira; Mikellides, Ioannis

    2005-01-01

    Ions with energies significantly in excess of the discharge voltage have been reported in high current hollow cathode discharges. Models of DC potential hills downstream of the cathode and ion acoustic instabilities in a double layer postulated in the cathode orifice have been proposed to explain these energetic ions, but have not been substantiated in experiments.

  4. The energetics of organic synthesis inside and outside the cell

    PubMed Central

    Amend, Jan P.; LaRowe, Douglas E.; McCollom, Thomas M.; Shock, Everett L.

    2013-01-01

    Thermodynamic modelling of organic synthesis has largely been focused on deep-sea hydrothermal systems. When seawater mixes with hydrothermal fluids, redox gradients are established that serve as potential energy sources for the formation of organic compounds and biomolecules from inorganic starting materials. This energetic drive, which varies substantially depending on the type of host rock, is present and available both for abiotic (outside the cell) and biotic (inside the cell) processes. Here, we review and interpret a library of theoretical studies that target organic synthesis energetics. The biogeochemical scenarios evaluated include those in present-day hydrothermal systems and in putative early Earth environments. It is consistently and repeatedly shown in these studies that the formation of relatively simple organic compounds and biomolecules can be energy-yielding (exergonic) at conditions that occur in hydrothermal systems. Expanding on our ability to calculate biomass synthesis energetics, we also present here a new approach for estimating the energetics of polymerization reactions, specifically those associated with polypeptide formation from the requisite amino acids. PMID:23754809

  5. Compositions of energetic particle populations in interplanetary space

    NASA Technical Reports Server (NTRS)

    Gloeckler, G.

    1979-01-01

    Observations of helium and heavier particles with energies below about 10 to 20 MeV/nucleon are discussed with emphasis on the composition of solar flare particles, corotating energetic particle streams, and the anomalous cosmic ray component. Future advances expected from results obtained from ISEE -3, Voyager, and the international solar polar spacecraft are reviewed.

  6. Origins of energetic ions in the Earth's magnetosheath

    NASA Astrophysics Data System (ADS)

    Fuselter, S. A.; Shelley, E. G.; Klumpar, D. M.

    1992-06-01

    The analysis and interpretation of the combined scientific data from the Hot Plasma Composition Experiment (HPCE) and the Charge Energy Mass (CHEM) spectrometer on the Active Mesospheric Particle Tracer Experiment (AMPTE) Charge Composition Explorer (CCE) spacecraft are discussed. These combined data sets have and will be used to survey the energetic ion environment in the Earth's magnetosheath to determine the origins and relative strengths of the energetic ion populations found there. A computer code was developed to analyze and interpret the data sets. The focus of the first year was on the determination of the contribution of leaked magnetospheric protons to the total energetic proton population. Emphasis was placed on intervals when the AMPTE spacecraft was in the plasma depletion layer because it was argued that in this region, only the leaked population contributes to the energetic ion population. Manipulation of the CHEM data and comparison of the CHEM and HPCE data over their common energy range near the magnetopause also contributed directly to a second study of that region.

  7. Solar Energetic Particle Precipitation Effects on the ionosphere of Mars

    NASA Astrophysics Data System (ADS)

    Lillis, Robert; Larson, Davin; Luhmann, Janet; Lee, Christina; Jakosky, Bruce

    2016-10-01

    Solar Energetic Particles (SEPs) are an important, if irregular, source of ionization and energy input to the Martian atmosphere. As is the case for much-studied Polar Cap precipitation events on the earth, when SEPs precipitate into the Mars atmosphere, they cause heating, ionization, excitation and dissociation, leading to altitude-dependent changes in chemistry. We present a study of the effects of SEP ionization in the Martian atmosphere using data from the Mars Atmosphere and Volatile Evolution (MAVEN) mission. Specifically, we will correlate altitude profiles of thermal planetary ions (O+, CO2+ and O2+) and electrons measured by the Neutral Gas and Ion Mass Spectrometer (NGIMS) and Langmuir Probe on the MAVEN spacecraft with fluxes of energetic protons and electrons measured by the Solar Energetic Particle (SEP) detector. First, we will present case studies of this correlation, before and during SEP events to examine short-term effects of SEP ionization. We will also examine SEP ionization under different heliospheric conditions, leading to different SEP shadowing geometries and ionization rates. Second, we will present a statistical study showing the degree to which ionospheric densities are affected by the presence of energetic particles, as a function of altitude, SEP spectrum flux and solar zenith angle. This work will provide a better understanding of this important source of ionization in the Martian upper atmosphere and hence, how more frequent and more intense SEP events in Mars' past may have affected the structure of the Martian upper atmosphere and hence atmospheric escape.

  8. Pioneer 10: Observations of energetic electrons in the Jovian magnetosphere

    NASA Technical Reports Server (NTRS)

    Randall, B. A.

    1974-01-01

    Results are given of a study of the intensities, energy spectra, and angular distribution of energetic particles in the magnetosphere of Jupiter; the heliocentric radial gradient of the intensity of galactic cosmic rays; and the occurrence, intensity, and angular distribution of solar flare particles and their propagation through the interplanetary medium at large heliocentric distances.

  9. Energetic lanthanide complexes: coordination chemistry and explosives applications

    NASA Astrophysics Data System (ADS)

    Manner, V. W.; Barker, B. J.; Sanders, V. E.; Laintz, K. E.; Scott, B. L.; Preston, D. N.; Sandstrom, M.; Reardon, B. L.

    2014-05-01

    Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with 'tailor made' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

  10. Energetic Lanthanide Complexes: Coordination Chemistry and Explosives Applications

    NASA Astrophysics Data System (ADS)

    Manner, Virginia; Barker, Beau; Sanders, Eric; Laintz, Kenneth; Scott, Brian; Preston, Daniel; Sandstrom, Mary; Reardon, Bettina

    2013-06-01

    Metals are generally added to organic molecular explosives in a heterogeneous composite to improve overall heat and energy release. In order to avoid creating a mixture that can vary in homogeneity, energetic organic molecules can be directly bonded to high molecular weight metals, forming a single metal complex with Angstrom-scale separation between the metal and the explosive. To probe the relationship between the structural properties of metal complexes and explosive performance, a new series of energetic lanthanide complexes has been prepared using energetic ligands such as NTO (5-nitro-2,4-dihydro-1,2,4-triazole-3-one). These are the first examples of lanthanide NTO complexes where no water is coordinated to the metal, demonstrating novel control of the coordination environment. The complexes have been characterized by X-ray crystallography, NMR and IR spectroscopies, photoluminescence, and sensitivity testing. The structural and energetic properties are discussed in the context of enhanced blast effects and detection. Cheetah calculations have been performed to fine-tune physical properties, creating a systematic method for producing explosives with ``tailor made'' characteristics. These new complexes will be benchmarks for further study in the field of metalized high explosives.

  11. Field test of two energetic models for yellow perch

    USGS Publications Warehouse

    Schaeffer, J.S.; Haas, R.C.; Diana, J.S.; Breck, J.E.

    1999-01-01

    Field data from a population of yellow perch Perca flavescens in Saginaw Bay, Lake Huron, were used to evaluate the ability of two energetic models to predict consumption by yellow perch. Field estimates of daily ration for age-l-4 fish during May through October 1987 and 1988 were compared with independent predictions made by the Wisconsin energetic model and an energetic model developed by Karas and Thoresson. Predictions of daily ration using the Wisconsin model were lower than daily rations estimated from field data for all ages, primarily due to poor model-field agreement at temperatures above 22??C. This caused estimates of cumulative consumption from the Wisconsin model to be 25-50% lower than field estimates. Predictions of daily ration by the Karas-Thoresson model agreed with field estimates over a temperature range of 1026??C for age-1-3 yellow perch but not for older fish. Despite improvement, model predictions of cumulative consumption were 2-35% lower than field estimates. Although these tests of predicted and estimated rations may provide insight into which model produced more accurate results, it must be emphasized that field measures of daily ration are also estimates and may be in error, particularly at temperatures above 22??C where gastric evacuation rates were estimated. The Karas-Thoresson modification of the Wisconsin energetic model produced better fits to field ration data and is recommended for model applications.

  12. Theoretical Studies of Small-System Thermodynamics in Energetic Materials

    DTIC Science & Technology

    2016-01-06

    energy localization and energy transfer for various physical situations germane to traditional and nanoscale energetic formulations. It is based on atomic ...scale simulation methods – primarily molecular dynamics with realistic force fields – and consists of fundamental studies of atomic and molecular...clusters, nanoparticles, and single- and multi-component condensed phases for materials ranging in complexity from simple atomic systems through

  13. Kinetics and energetics of producing animal-manure-based biochar

    Technology Transfer Automated Retrieval System (TEKTRAN)

    Pyrolysis of animal manure produce biochar with multiple beneficial use potentials for improving soil quality and the environment. The kinetics and energetics of pyrolysis in producing manure-based biochar char were reviewed and analyzed. Kinetic analysis of pyrolysis showed that the higher the temp...

  14. Ultrashort-pulse laser generated nanoparticles of energetic materials

    SciTech Connect

    Welle, Eric J.; Tappan, Alexander S.; Palmer, Jeremy A.

    2010-08-03

    A process for generating nanoscale particles of energetic materials, such as explosive materials, using ultrashort-pulse laser irradiation. The use of ultrashort laser pulses in embodiments of this invention enables one to generate particles by laser ablation that retain the chemical identity of the starting material while avoiding ignition, deflagration, and detonation of the explosive material.

  15. The energetics of organic synthesis inside and outside the cell.

    PubMed

    Amend, Jan P; LaRowe, Douglas E; McCollom, Thomas M; Shock, Everett L

    2013-07-19

    Thermodynamic modelling of organic synthesis has largely been focused on deep-sea hydrothermal systems. When seawater mixes with hydrothermal fluids, redox gradients are established that serve as potential energy sources for the formation of organic compounds and biomolecules from inorganic starting materials. This energetic drive, which varies substantially depending on the type of host rock, is present and available both for abiotic (outside the cell) and biotic (inside the cell) processes. Here, we review and interpret a library of theoretical studies that target organic synthesis energetics. The biogeochemical scenarios evaluated include those in present-day hydrothermal systems and in putative early Earth environments. It is consistently and repeatedly shown in these studies that the formation of relatively simple organic compounds and biomolecules can be energy-yielding (exergonic) at conditions that occur in hydrothermal systems. Expanding on our ability to calculate biomass synthesis energetics, we also present here a new approach for estimating the energetics of polymerization reactions, specifically those associated with polypeptide formation from the requisite amino acids.

  16. SUPPRESSION OF ENERGETIC ELECTRON TRANSPORT IN FLARES BY DOUBLE LAYERS

    SciTech Connect

    Li, T. C.; Drake, J. F.; Swisdak, M.

    2012-09-20

    During flares and coronal mass ejections, energetic electrons from coronal sources typically have very long lifetimes compared to the transit times across the systems, suggesting confinement in the source region. Particle-in-cell simulations are carried out to explore the mechanisms of energetic electron transport from the corona to the chromosphere and possible confinement. We set up an initial system of pre-accelerated hot electrons in contact with ambient cold electrons along the local magnetic field and let it evolve over time. Suppression of transport by a nonlinear, highly localized electrostatic electric field (in the form of a double layer) is observed after a short phase of free-streaming by hot electrons. The double layer (DL) emerges at the contact of the two electron populations. It is driven by an ion-electron streaming instability due to the drift of the back-streaming return current electrons interacting with the ions. The DL grows over time and supports a significant drop in temperature and hence reduces heat flux between the two regions that is sustained for the duration of the simulation. This study shows that transport suppression begins when the energetic electrons start to propagate away from a coronal acceleration site. It also implies confinement of energetic electrons with kinetic energies less than the electrostatic energy of the DL for the DL lifetime, which is much longer than the electron transit time through the source region.

  17. Observations of solar energetic particles at a synchronous orbit

    NASA Technical Reports Server (NTRS)

    Takenaka, T.; Ohi, Y.; Yanagimachi, T.; Ito, K.; Kohno, T.; Sakurai, K.

    1985-01-01

    The Space Environment Monitors (SEM) on board the Japanese geostationary meteorological satellites (GMS-1 and GMS-2) observed energetic protons, alpha particles and electrons continuously for February 1978 to September 1984. The satellites were at 6.6 Earth radii above 140 deg E equator.

  18. Dynamics of curved interfaces

    SciTech Connect

    Escudero, Carlos

    2009-08-15

    Stochastic growth phenomena on curved interfaces are studied by means of stochastic partial differential equations. These are derived as counterparts of linear planar equations on a curved geometry after a reparametrization invariance principle has been applied. We examine differences and similarities with the classical planar equations. Some characteristic features are the loss of correlation through time and a particular behavior of the average fluctuations. Dependence on the metric is also explored. The diffusive model that propagates correlations ballistically in the planar situation is particularly interesting, as this propagation becomes nonuniversal in the new regime.

  19. Virtual interface environment

    NASA Technical Reports Server (NTRS)

    Fisher, Scott S.

    1986-01-01

    A head-mounted, wide-angle, stereoscopic display system controlled by operator position, voice and gesture has been developed for use as a multipurpose interface environment. The system provides a multisensory, interactive display environment in which a user can virtually explore a 360-degree synthesized or remotely sensed environment and can viscerally interact with its components. Primary applications of the system are in telerobotics, management of large-scale integrated information systems, and human factors research. System configuration, application scenarios, and research directions are described.

  20. 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.