Quasi-monoenergetic proton beam from a proton-layer embedded metal foil irradiated by an intense laser pulse

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kim, Kyung Nam; Lee, Kitae, E-mail: klee@kaeri.re.kr; Kumar, Manoj

A target structure, ion-layer embedded foil (ILEF) is proposed for producing a quasi-monoenergetic proton beam by utilizing a bulk electrostatic field, which is generated by irradiating the target with an ultra-intense laser pulse, inside the plasma. Compared with the case of a single metal foil in which the proton layer is initially present on the surface, in the ILEF target, the proton layer is initially located inside a metal foil. A two-dimensional particle-in-cell (PIC) simulation shows that the target generates a proton beam with a narrow energy spread. With a laser intensity of 2 × 10{sup 19 }W/cm{sup 2}, a 22-MeV proton beammore » with an energy spread of 8% at the full-width-half-maximum (FWHM) is obtained when the proton layer is located at 0.4 μm inside the rear surface of a 2.4 μm-thick copper foil. When the proton layer moves toward the front side, a proton beam with a flat-top energy distribution ranging from 15 MeV to 35 MeV is obtained. Further, with a higher laser intensity of 10{sup 21 }W/cm{sup 2}, a proton beam with the maximum energy of 345 MeV and FWHM energy spread of 7.2% is obtained. The analysis of the PIC simulation with an aid of a fluid analysis shows that the spectrum is affected by the initial position of the proton layer, its initial spread during the formation of the sheath field, and the space charge effect.« less

Modeling Torque Versus Speed, Shot Noise, and Rotational Diffusion of the Bacterial Flagellar Motor

PubMed Central

Mora, Thierry; Yu, Howard; Wingreen, Ned S.

2010-01-01

We present a minimal physical model for the flagellar motor that enables bacteria to swim. Our model explains the experimentally measured torque-speed relationship of the proton-driven E. coli motor at various pH and temperature conditions. In particular, the dramatic drop of torque at high rotation speeds (the “knee”) is shown to arise from saturation of the proton flux. Moreover, we show that shot noise in the proton current dominates the diffusion of motor rotation at low loads. This suggests a new way to probe the discreteness of the energy source, analogous to measurements of charge quantization in superconducting tunnel junctions. PMID:20366231

Proton depth dose distribution: 3-D calculation of dose distributions from solar flare irradiation

NASA Astrophysics Data System (ADS)

Leavitt, Dennis D.

1990-11-01

Relative depth dose distribution to the head from 3 typical solar flare proton events were calculated for 3 different exposure geometries: (1) single directional radiation incident upon a fixed head; (2) single directional radiation incident upon head rotating axially (2-D rotation); and (3) omnidirectional radiation incident upon head (3-D rotation). Isodose distributions in the transverse plane intersecting isocenter are presented for each of the 3 solar flare events in all 3 exposure geometries. In all 3 calculation configurations the maximum predicted dose occurred on the surface of the head. The dose at the isocenter of the head relative to the surface dose for the 2-D and 3-D rotation geometries ranged from 2 to 19 percent, increasing with increasing energy of the event. The calculations suggest the superficially located organs (lens of the eye and skin) are at greatest risk for the proton events studied here.

On the study of rotational effects in mass asymmetric colliding nuclei at intermediate energies

NASA Astrophysics Data System (ADS)

Kaur, Kamaldeep; Kumar, Suneel

2018-05-01

The rotational dynamics has been studied for different mass asymmetric systems 49122In + 50126Sn, 48114Cs + 54134In, 40100Mo + 64148Gd, 3686Kr + 67162Ho, 3171Ga + 71177Lu, 2860Ni + 76188Os and 2450Cr + 78198 Pt for incident energies between 40 MeV/nucleon and 400 MeV/nucleon for impact parameter range 0.25 < b ˆ < 0.45 using isospin-dependent quantum molecular dynamics (IQMD) model. Our calculations reveal that the time evolutions of rotational observables for participant and spectator nuclear matter are different in mass asymmetric heavy ion reactions. Theoretical data of BUU model's azimuthal distributions for free protons have been compared successfully with IQMD model calculations. The rotational flow of free protons with increasing incident energies and elliptic flow (calculated from the fits of azimuthal distributions of free protons) dependence with energy has also been investigated.

The γ-subunit rotation and torque generation in F1-ATPase from wild-type or uncoupled mutant Escherichia coli

PubMed Central

Omote, Hiroshi; Sambonmatsu, Noriko; Saito, Kiwamu; Sambongi, Yoshihiro; Iwamoto-Kihara, Atsuko; Yanagida, Toshio; Wada, Yoh; Futai, Masamitsu

1999-01-01

The rotation of the γ-subunit has been included in the binding-change mechanism of ATP synthesis/hydrolysis by the proton ATP synthase (FOF1). The Escherichia coli ATP synthase was engineered for rotation studies such that its ATP hydrolysis and synthesis activity is similar to that of wild type. A fluorescently labeled actin filament connected to the γ-subunit of the F1 sector rotated on addition of ATP. This progress enabled us to analyze the γM23K (the γ-subunit Met-23 replaced by Lys) mutant, which is defective in energy coupling between catalysis and proton translocation. We found that the F1 sector produced essentially the same frictional torque, regardless of the mutation. These results suggest that the γM23K mutant is defective in the transformation of the mechanical work into proton translocation or vice versa. PMID:10393898

Effect of target composition on proton acceleration in ultraintense laser-thin foil interaction

NASA Astrophysics Data System (ADS)

Liu, Qingcao; Liu, Meng; Yu, Tongpu; Ding, Pengji; Liu, Zuoye; Sun, Shaohua; Liu, Xiaoliang; Lu, Xing; Guo, Zeqin; Hu, Bitao

2012-09-01

The interactions of ultraintense circularly polarized laser pulses with a mixed solid target and a double-layer target are studied by two-dimensional particle-in-cell simulations. Different carbon and proton compositions in the targets are used in the simulations. It is shown that the proton acceleration mechanisms in both targets are very sensitive to the ion density ratios between protons and carbon ions. For a mixed solid target, a relatively low proton density gives rise to monoenergetic peaks in the proton energy spectrum while a high proton density leads to a large cut-off energy and wide energy spread. With the increase of the ratio, the so-called directed-Coulomb-explosion becomes dominated over the radiation pressure. Surprisingly, for a double-layer target with a front proton layer and an ultrathin rear carbon layer, a highly monoenergetic proton beam with a peak energy of 1.7 GeV/u, an energy spread of ˜4%, and a divergency angle of 2° can be obtained, which might have diverse applications in medical therepy and proton imaging in future.

Spin Transparent Siberian Snake And Spin Rotator With Solenoids

DOE Office of Scientific and Technical Information (OSTI.GOV)

Koop, I. A.; Otboyev, A. V.; Shatunov, P. Yu.

2007-06-13

For intermediate energies of electrons and protons it happens that it is more convenient to construct Siberian snakes and spin rotators using solenoidal fields. Strong coupling caused by the solenoids is suppressed by a number of skew and normal quadrupole magnets. More complicate problem of the spin transparency of such devices also can be solved. This paper gives two examples: spin rotator for electron ring in the eRHIC project and Siberian snake for proton (antiproton) storage ring HESR, which cover whole machines working energy region.

Gamma rays from accretion onto rotating black holes

NASA Technical Reports Server (NTRS)

Collins, M. S.

1979-01-01

Ionized matter falling onto an isolated rotating black hole will be heated sufficiently that proton-proton collisions will produce mesons, including neutral pions, which decay into gamma rays. For massive (1000-solar mass) black holes, the resulting gamma-ray luminosity may exceed 10 to the 36th erg/s with a spectrum peaked near 20 MeV.

Characteristics of Protons Exiting from a Polyethylene Converter Irradiated by Neutrons with Energies between 1 keV and 10 MeV.

PubMed

Nikezic, D; Shahmohammadi Beni, Mehrdad; Krstic, D; Yu, K N

2016-01-01

Monte Carlo method has been used to determine the efficiency for proton production and to study the energy and angular distributions of the generated protons. The ENDF library of cross sections is used to simulate the interactions between the neutrons and the atoms in a polyethylene (PE) layer, while the ranges of protons with different energies in PE are determined using the Stopping and Range of Ions in Matter (SRIM) computer code. The efficiency of proton production increases with the PE layer thickness. However the proton escaping from a certain polyethylene volume is highly dependent on the neutron energy and target thickness, except for a very thin PE layer. The energy and angular distributions of protons are also estimated in the present paper, showing that, for the range of energy and thickness considered, the proton flux escaping is dependent on the PE layer thickness, with the presence of an optimal thickness for a fixed primary neutron energy.

Characteristics of Protons Exiting from a Polyethylene Converter Irradiated by Neutrons with Energies between 1 keV and 10 MeV

PubMed Central

Nikezic, D.; Shahmohammadi Beni, Mehrdad; Krstic, D.; Yu, K. N.

2016-01-01

Monte Carlo method has been used to determine the efficiency for proton production and to study the energy and angular distributions of the generated protons. The ENDF library of cross sections is used to simulate the interactions between the neutrons and the atoms in a polyethylene (PE) layer, while the ranges of protons with different energies in PE are determined using the Stopping and Range of Ions in Matter (SRIM) computer code. The efficiency of proton production increases with the PE layer thickness. However the proton escaping from a certain polyethylene volume is highly dependent on the neutron energy and target thickness, except for a very thin PE layer. The energy and angular distributions of protons are also estimated in the present paper, showing that, for the range of energy and thickness considered, the proton flux escaping is dependent on the PE layer thickness, with the presence of an optimal thickness for a fixed primary neutron energy. PMID:27362656

Gamma rays from accretion onto rotating black holes

NASA Technical Reports Server (NTRS)

Collins, M. S.

1978-01-01

Ionized matter falling onto an isolated, rotating black hole will be heated sufficiently that proton-proton collisions will produce mesons, including neutral pions, which decay into gamma rays. For massive (1000 M sub circled dot), black holes, the resulting gamma-ray luminosity may exceed 10 to the 36th power engs/s, with a spectrum peaked near 20 MeV.

Range optimization for mono- and bi-energetic proton modulated arc therapy with pencil beam scanning

NASA Astrophysics Data System (ADS)

Sanchez-Parcerisa, Daniel; Kirk, Maura; Fager, Marcus; Burgdorf, Brendan; Stowe, Malorie; Solberg, Tim; Carabe, Alejandro

2016-11-01

The development of rotational proton therapy plans based on a pencil-beam-scanning (PBS) system has been limited, among several other factors, by the energy-switching time between layers, a system-dependent parameter that ranges between a fraction of a second and several seconds. We are investigating mono- and bi-energetic rotational proton modulated arc therapy (PMAT) solutions that would not be affected by long energy switching times. In this context, a systematic selection of the optimal proton energy for each arc is vital. We present a treatment planning comparison of four different range selection methods, analyzing the dosimetric outcomes of the resulting treatment plans created with the ranges obtained. Given the patient geometry and arc definition (gantry and couch trajectories, snout elevation) our in-house treatment planning system (TPS) FoCa was used to find the maximum, medial and minimum water-equivalent thicknesses (WETs) of the target viewed from all possible field orientations. Optimal ranges were subsequently determined using four methods: (1) by dividing the max/min WET interval into equal steps, (2) by taking the average target midpoints from each field, (3) by taking the average WET of all voxels from all field orientations, and (4) by minimizing the fraction of the target which cannot be reached from any of the available angles. After the range (for mono-energetic plans) or ranges (for bi-energetic plans) were selected, the commercial clinical TPS in use in our institution (Varian Eclipse™) was used to produce the PMAT plans using multifield optimization. Linear energy transfer (LET) distributions of all plans were also calculated using FoCa and compared among the different methods. Mono- and bi-energetic PMAT plans, composed of a single 180° arc, were created for two patient geometries: a C-shaped target located in the mediastinal area of a thoracic tissue-equivalent phantom and a small brain tumor located directly above the brainstem. All plans were optimized using the same procedure to (1) achieve target coverage, (2) reduce dose to OAR and (3) limit dose hot spots in the target. Final outcomes were compared in terms of the resulting dose and LET distributions. Data shows little significant differences among the four studied methods, with superior results obtained with mono-energetic plans. A streamlined systematic method has been implemented in an in-house TPS to find the optimal range to maximize target coverage with rotational mono- or bi-energetic PBS rotational plans by minimizing the fraction of the target that cannot be reached by any direction.

Rotational spectroscopic study of carbonyl sulfide solvated with hydrogen molecules.

PubMed

Michaud, Julie M; Jäger, Wolfgang

2008-10-14

Rotational spectra of small-sized (H(2))(N)-OCS clusters with N = 2-7 were measured using a pulsed-jet Fourier transform microwave spectrometer. These include spectra of pure (para-H(2))(N)-OCS clusters, pure (ortho-H(2))(N)-OCS clusters, and mixed ortho-H(2) and para-H(2) containing clusters. The rotational lines of ortho-H(2) molecules containing clusters show proton spin-proton spin hyperfine structure, and the pattern evolves as the number of ortho-H(2) molecules in the cluster increases. Various isotopologues of the clusters were investigated, including those with O(13)CS, OC(33)S, OC(34)S, and O(13)C(34)S. Nuclear quadrupole hyperfine structures of rotational transitions were observed for (33)S (nuclear spin quantum number I = 3/2) containing isotopologues. The (33)S nuclear quadrupole coupling constants are compared to the corresponding constant of the OCS monomer and those of the He(N)-OCS clusters. The assignment of the number of solvating hydrogen molecules N is supported by the analyses of the proton spin-proton spin hyperfine structures of the mixed clusters, the dependence of line intensities on sample conditions (pressure and concentrations), and the agreement of the (para-H(2))(N)-OCS and (ortho-H(2))(N)-OCS rotational constants with those from a previous infrared study [J. Tang and A. R. W. McKellar, J. Chem. Phys. 121, 3087 (2004)].

ACCURATE SPECTROSCOPIC CHARACTERIZATION OF PROTONATED OXIRANE: A POTENTIAL PREBIOTIC SPECIES IN TITAN'S ATMOSPHERE.

PubMed

Puzzarini, Cristina; Ali, Ashraf; Biczysko, Malgorzata; Barone, Vincenzo

2014-09-10

An accurate spectroscopic characterization of protonated oxirane has been carried out by means of state-of-the-art computational methods and approaches. The calculated spectroscopic parameters from our recent computational investigation of oxirane together with the corresponding experimental data available were used to assess the accuracy of our predicted rotational and IR spectra of protonated oxirane. We found an accuracy of about 10 cm -1 for vibrational transitions (fundamentals as well as overtones and combination bands) and, in relative terms, of 0.1% for rotational transitions. We are therefore confident that the spectroscopic data provided herein are a valuable support for the detection of protonated oxirane not only in Titan's atmosphere but also in the interstellar medium.

NMR and rotational angles in solution conformation of polypeptides

NASA Astrophysics Data System (ADS)

Bystrov, V. F.

1985-01-01

Professor San-Ichiro Mizushima and Professor Yonezo Morino's classical contributions provided unique means and firm basis for understanding of conformational states and internal rotation in polypeptide molecules. Now the NMR spectroscopy is the best choice to study molecular conformation, mechanism of action and structure-functional relationships of peptide and proteins in solution under conditions approaching those of their physiological environments. Crucial details of spatial structure and interactions of these molecules in solution are revealed by using proton-proton and carbon-proton vicinal coupling constants, proton nuclear Overhauser effect and spectral perturbation techniques. The results of NMR conformational analysis are presented for valinomycin "bracelet", gramicidin A double helices, honey-bee neurotoxin apamin, scorpion insectotoxins and snake neurotoxins of long and short types.

Insights into the Molecular Mechanism of Rotation in the Fo Sector of ATP Synthase

PubMed Central

Aksimentiev, Aleksij; Balabin, Ilya A.; Fillingame, Robert H.; Schulten, Klaus

2004-01-01

F1Fo-ATP synthase is a ubiquitous membrane protein complex that efficiently converts a cell's transmembrane proton gradient into chemical energy stored as ATP. The protein is made of two molecular motors, Fo and F1, which are coupled by a central stalk. The membrane unit, Fo, converts the transmembrane electrochemical potential into mechanical rotation of a rotor in Fo and the physically connected central stalk. Based on available data of individual components, we have built an all-atom model of Fo and investigated through molecular dynamics simulations and mathematical modeling the mechanism of torque generation in Fo. The mechanism that emerged generates the torque at the interface of the a- and c-subunits of Fo through side groups aSer-206, aArg-210, and aAsn-214 of the a-subunit and side groups cAsp-61 of the c-subunits. The mechanism couples protonation/deprotonation of two cAsp-61 side groups, juxtaposed to the a-subunit at any moment in time, to rotations of individual c-subunit helices as well as rotation of the entire c-subunit. The aArg-210 side group orients the cAsp-61 side groups and, thereby, establishes proton transfer via aSer-206 and aAsn-214 to proton half-channels, while preventing direct proton transfer between the half-channels. A mathematical model proves the feasibility of torque generation by the stated mechanism against loads typical during ATP synthesis; the essential model characteristics, e.g., helix and subunit rotation and associated friction constants, have been tested and furnished by steered molecular dynamics simulations. PMID:14990464

Magnetic field, reconnection, and particle acceleration in extragalactic jets

NASA Technical Reports Server (NTRS)

Romanova, M. M.; Lovelace, R. V. E.

1992-01-01

Extra-galactic radio jets are investigated theoretically taking into account that the jet magnetic field is dragged out from the central rotating source by the jet flow. Thus, magnetohydrodynamic models of jets are considered with zero net poloidal current and flux, and consequently a predominantly toroidal magnetic field. The magnetic field naturally has a cylindrical neutral layer. Collisionless reconnection of the magnetic field in the vicinity of the neutral layer acts to generate a non-axisymmetric radial magnetic field. In turn, axial shear-stretching of reconnected toroidal field gives rise to a significant axial magnetic field if the flow energy-density is larger than the energy-density of the magnetic field. This can lead to jets with an apparent longitudinal magnetic field as observed in the Fanaroff-Riley class II jets. In the opposite limit, where the field energy-density is large, the field remains mainly toroidal as observed in Fanaroff-Riley class I jets. Driven collisionless reconnection at neutral layers may lead to acceleration of electrons to relativistic energies in the weak electrostatic field of the neutral layer. A simple model is discussed for particle acceleration at neutral layers in electron/positron and electron/proton plasmas.

Microwave Spectroscopy and Proton Transfer Dynamics in the Formic Acid-Acetic Acid Dimer

NASA Astrophysics Data System (ADS)

Howard, B. J.; Steer, E.; Page, F.; Tayler, M.; Ouyang, B.; Leung, H. O.; Marshall, M. D.; Muenter, J. S.

2012-06-01

The rotational spectrum of the doubly hydrogen-bonded {hetero} dimer formed between formic acid and acetic acid has been recorded between 4 and 18 GHz using a pulsed-nozzle Fourier transform microwave spectrometer. Each rigid-molecule rotational transition is split into four as a result of two concurrent tunnelling motions, one being proton transfer between the two acid molecules, and the other the torsion/rotation of the methyl group within the acetic acid. We present a full assignment of the spectrum for {J} = 1 to {J} = 7 for these four torsion/tunnelling states. Spectra have been observed for the main isotopic species, with deuterium substitution at the C of the formic acid and all 13C species in natural abundance, The observed transitions are fitted to within a few kilohertz using a molecule-fixed effective rotational Hamiltonian for the separate {A} and {E} vibrational species of the G12 permutation-inversion group which is applicable to this complex. To reduce the effects of internal angular momentum, a non-principal axis system is used throughout. Interpretation of the internal motion uses an internal-vibration and overall rotation scheme, and full sets of rotational and centrifugal distortion constants are determined. The proton tunnelling rates and the internal angular momentum of the methyl group in the {E} states is interpreted in terms of a dynamical model which involves coupled proton transfer and internal rotation. The resulting potential energy surface not only describes these internal motions, but can also explain the observed shifts in rotational constants between {A} and {E} species, and the deviations of the tunnelling frequencies from the expected 2:1 ratio. It also permits the determination of spectral constants free from the contamination effects of the internal dynamics. M.C.D. Tayler, B. Ouyang and B.J. Howard, J. Chem. Phys., {134}, 054316 (2011).

Room temperature synthesis of protonated layered titanate sheets using peroxo titanium carbonate complex solution.

PubMed

Sutradhar, Narottam; Sinhamahapatra, Apurba; Pahari, Sandip Kumar; Bajaj, Hari C; Panda, Asit Baran

2011-07-21

We report the synthesis of peroxo titanium carbonate complex solution as a novel water-soluble precursor for the direct synthesis of layered protonated titanate at room temperature. The synthesized titanates showed excellent removal capacity for Pb(2+) and methylene blue. Based on experimental observations, a probable mechanism for the formation of protonated layered dititanate sheets is also discussed.

Atom redistribution and multilayer structure in NiTi shape memory alloy induced by high energy proton irradiation

NASA Astrophysics Data System (ADS)

Wang, Haizhen; Yi, Xiaoyang; Zhu, Yingying; Yin, Yongkui; Gao, Yuan; Cai, Wei; Gao, Zhiyong

2017-10-01

The element distribution and surface microstructure in NiTi shape memory alloys exposed to 3 MeV proton irradiation were investigated. Redistribution of the alloying element and a clearly visible multilayer structure consisting of three layers were observed on the surface of NiTi shape memory alloys after proton irradiation. The outermost layer consists primarily of a columnar-like TiH2 phase with a tetragonal structure, and the internal layer is primarily comprised of a bcc austenite phase. In addition, the Ti2Ni phase, with an fcc structure, serves as the transition layer between the outermost and internal layer. The above-mentioned phenomenon is attributed to the preferential sputtering of high energy protons and segregation induced by irradiation.

Generation of alkali-free and high-proton concentration layer in a soda lime glass using non-contact corona discharge

NASA Astrophysics Data System (ADS)

Ikeda, Hiroshi; Sakai, Daisuke; Funatsu, Shiro; Yamamoto, Kiyoshi; Suzuki, Toshio; Harada, Kenji; Nishii, Junji

2013-08-01

Formation mechanisms of alkali-free and high-proton concentration surfaces were investigated for a soda lime glass using a corona discharge treatment under an atmospheric pressure. Protons produced by high DC voltage around an anode needle electrode were incorporated into a sodium ion site in the anode side glass. The sodium ion was swept away to the cathode side as a charge carrier. Then it was discharged. The precipitated sodium was transformed to a Na2CO3 powder when the surface contacted with air. The sodium ion in the glass surface layer of the anode side was replaced completely by protons. The concentration of OH groups in the layer was balanced with the amount of excluded sodium ions. The substitution reaction of sodium ions with protons tends to be saturated according to a square root function of time. The alkali depletion layer formation rate was affected by the large difference in mobility between sodium ions and protons in the glass.

REVIEWS OF TOPICAL PROBLEMS Molecular energy transducers of the living cell. Proton ATP synthase: a rotating molecular motor

NASA Astrophysics Data System (ADS)

Romanovsky, Yurii M.; Tikhonov, Alexander N.

2010-12-01

The free energy released upon the enzymatic hydrolysis of adenosine triphosphate (ATP) is the main source of energy for the functioning of the living cell and all multicellular organisms. The overwhelming majority of ATP molecules are formed by proton ATP synthases, which are the smallest macromolecular electric motors in Nature. This paper reviews the modern concepts of the molecular structure and functioning of the proton ATP synthase, and real-time biophysical experiments on the rotation of the 'rotor' of this macromolecular motor. Some mathematical models describing the operation of this nanosized macromolecular machine are described.

Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM.

PubMed

Zhou, Anna; Rohou, Alexis; Schep, Daniel G; Bason, John V; Montgomery, Martin G; Walker, John E; Grigorieff, Nikolaus; Rubinstein, John L

2015-10-06

Adenosine triphosphate (ATP), the chemical energy currency of biology, is synthesized in eukaryotic cells primarily by the mitochondrial ATP synthase. ATP synthases operate by a rotary catalytic mechanism where proton translocation through the membrane-inserted FO region is coupled to ATP synthesis in the catalytic F1 region via rotation of a central rotor subcomplex. We report here single particle electron cryomicroscopy (cryo-EM) analysis of the bovine mitochondrial ATP synthase. Combining cryo-EM data with bioinformatic analysis allowed us to determine the fold of the a subunit, suggesting a proton translocation path through the FO region that involves both the a and b subunits. 3D classification of images revealed seven distinct states of the enzyme that show different modes of bending and twisting in the intact ATP synthase. Rotational fluctuations of the c8-ring within the FO region support a Brownian ratchet mechanism for proton-translocation-driven rotation in ATP synthases.

Resolving the negative potential side (n-side) water-accessible proton pathway of F-type ATP synthase by molecular dynamics simulations.

PubMed

Gohlke, Holger; Schlieper, Daniel; Groth, Georg

2012-10-19

The rotation of F(1)F(o)-ATP synthase is powered by the proton motive force across the energy-transducing membrane. The protein complex functions like a turbine; the proton flow drives the rotation of the c-ring of the transmembrane F(o) domain, which is coupled to the ATP-producing F(1) domain. The hairpin-structured c-protomers transport the protons by reversible protonation/deprotonation of a conserved Asp/Glu at the outer transmembrane helix (TMH). An open question is the proton transfer pathway through the membrane at atomic resolution. The protons are thought to be transferred via two half-channels to and from the conserved cAsp/Glu in the middle of the membrane. By molecular dynamics simulations of c-ring structures in a lipid bilayer, we mapped a water channel as one of the half-channels. We also analyzed the suppressor mutant cP24D/E61G in which the functional carboxylate is shifted to the inner TMH of the c-protomers. Current models concentrating on the "locked" and "open" conformations of the conserved carboxylate side chain are unable to explain the molecular function of this mutant. Our molecular dynamics simulations revealed an extended water channel with additional water molecules bridging the distance of the outer to the inner TMH. We suggest that the geometry of the water channel is an important feature for the molecular function of the membrane part of F(1)F(o)-ATP synthase. The inclination of the proton pathway isolates the two half-channels and may contribute to a favorable clockwise rotation in ATP synthesis mode.

Elastic rotation of Escherichia coli F(O)F(1) having ε subunit fused with cytochrome b(562) or flavodoxin reductase.

PubMed

Oka, Hideyuki; Hosokawa, Hiroyuki; Nakanishi-Matsui, Mayumi; Dunn, Stanley D; Futai, Masamitsu; Iwamoto-Kihara, Atsuko

2014-04-18

Intra-molecular rotation of FOF1 ATP synthase enables cooperative synthesis and hydrolysis of ATP. In this study, using a small gold bead probe, we observed fast rotation close to the real rate that would be exhibited without probes. Using this experimental system, we tested the rotation of FOF1 with the ε subunit connected to a globular protein [cytochrome b562 (ε-Cyt) or flavodoxin reductase (ε-FlavR)], which is apparently larger than the space between the central and the peripheral stalks. The enzymes containing ε-Cyt and ε-FlavR showed continual rotations with average rates of 185 and 148 rps, respectively, similar to the wild type (172 rps). However, the enzymes with ε-Cyt or ε-FlavR showed a reduced proton transport. These results indicate that the intra-molecular rotation is elastic but proton transport requires more strict subunit/subunit interaction. Copyright © 2014 Elsevier Inc. All rights reserved.

Photocarrier Radiometry for Non-contact Evaluation of Monocrystalline Silicon Solar Cell Under Low-Energy (< 200 keV) Proton Irradiation

NASA Astrophysics Data System (ADS)

Oliullah, Md.; Liu, J. Y.; Song, P.; Wang, Y.

2018-06-01

A three-layer theoretical model is developed for the characterization of the electronic transport properties (lifetime τ, diffusion coefficient D, and surface recombination velocity s) with energetic particle irradiation on solar cells using non-contact photocarrier radiometry. Monte Carlo (MC) simulation is carried out to obtain the depth profiles of the proton irradiation layer at different low energies (< 200 keV). The monocrystalline silicon (c-Si) solar cells are investigated under different low-energy proton irradiation, and the carrier transport parameters of the three layers are obtained by best-fitting of the experimental results. The results show that the low-energy protons have little influence on the transport parameters of the non-irradiated layer, but high influences on both of the p and n-region irradiation layers which are consisted of MC simulation.

Generation of alkali-free and high-proton concentration layer in a soda lime glass using non-contact corona discharge

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ikeda, Hiroshi; Sakai, Daisuke; Nishii, Junji

2013-08-14

Formation mechanisms of alkali-free and high-proton concentration surfaces were investigated for a soda lime glass using a corona discharge treatment under an atmospheric pressure. Protons produced by high DC voltage around an anode needle electrode were incorporated into a sodium ion site in the anode side glass. The sodium ion was swept away to the cathode side as a charge carrier. Then it was discharged. The precipitated sodium was transformed to a Na{sub 2}CO{sub 3} powder when the surface contacted with air. The sodium ion in the glass surface layer of the anode side was replaced completely by protons. Themore » concentration of OH groups in the layer was balanced with the amount of excluded sodium ions. The substitution reaction of sodium ions with protons tends to be saturated according to a square root function of time. The alkali depletion layer formation rate was affected by the large difference in mobility between sodium ions and protons in the glass.« less

Aqueous proton transfer across single-layer graphene

DOE PAGES

Achtyl, Jennifer L.; Unocic, Raymond R.; Xu, Lijun; ...

2015-03-17

Proton transfer across single-layer graphene proceeds with large computed energy barriers and is thought to be unfavourable at room temperature unless nanoscale holes or dopants are introduced, or a potential bias is applied. Here we subject single-layer graphene supported on fused ​silica to cycles of high and low pH, and show that protons transfer reversibly from the aqueous phase through the graphene to the other side where they undergo acid–base chemistry with the silica hydroxyl groups. After ruling out diffusion through macroscopic pinholes, the protons are found to transfer through rare, naturally occurring atomic defects. Computer simulations reveal low energymore » barriers of 0.61–0.75 eV for aqueous proton transfer across hydroxyl-terminated atomic defects that participate in a Grotthuss-type relay, while ​pyrylium-like ether terminations shut down proton exchange. In conclusion, unfavourable energy barriers to helium and ​hydrogen transfer indicate the process is selective for aqueous protons.« less

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba 2In 2O 4(OH) 2 Structure and Dynamics

DOE PAGES

Dervisoglu, Riza; Middlemiss, Derek S.; Blanc, Frederic; ...

2015-05-01

Here, a structural characterization of the hydrated form of the brownmillerite-type phase Ba 2In 2O 5, Ba 2In 2O 4(OH) 2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H 2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics 2004, 170, 25–32) using X-ray and neutron studies. Calculationsmore » of possible proton arrangements within the partially occupied layer of Ba 2In 2O 4(OH) 2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H– 17O double resonance experiments.« less

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics.

PubMed

Dervişoğlu, Rıza; Middlemiss, Derek S; Blanc, Frédéric; Lee, Yueh-Lin; Morgan, Dane; Grey, Clare P

2015-06-09

A structural characterization of the hydrated form of the brownmillerite-type phase Ba 2 In 2 O 5 , Ba 2 In 2 O 4 (OH) 2 , is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H 2 O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25-32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba 2 In 2 O 4 (OH) 2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1 H and 17 O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1 H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1 H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17 O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1 H- 17 O double resonance experiments.

Joint Experimental and Computational 17O and 1H Solid State NMR Study of Ba2In2O4(OH)2 Structure and Dynamics

PubMed Central

2015-01-01

A structural characterization of the hydrated form of the brownmillerite-type phase Ba2In2O5, Ba2In2O4(OH)2, is reported using experimental multinuclear NMR spectroscopy and density functional theory (DFT) energy and GIPAW NMR calculations. When the oxygen ions from H2O fill the inherent O vacancies of the brownmillerite structure, one of the water protons remains in the same layer (O3) while the second proton is located in the neighboring layer (O2) in sites with partial occupancies, as previously demonstrated by Jayaraman et al. (Solid State Ionics2004, 170, 25−32) using X-ray and neutron studies. Calculations of possible proton arrangements within the partially occupied layer of Ba2In2O4(OH)2 yield a set of low energy structures; GIPAW NMR calculations on these configurations yield 1H and 17O chemical shifts and peak intensity ratios, which are then used to help assign the experimental MAS NMR spectra. Three distinct 1H resonances in a 2:1:1 ratio are obtained experimentally, the most intense resonance being assigned to the proton in the O3 layer. The two weaker signals are due to O2 layer protons, one set hydrogen bonding to the O3 layer and the other hydrogen bonding alternately toward the O3 and O1 layers. 1H magnetization exchange experiments reveal that all three resonances originate from protons in the same crystallographic phase, the protons exchanging with each other above approximately 150 °C. Three distinct types of oxygen atoms are evident from the DFT GIPAW calculations bare oxygens (O), oxygens directly bonded to a proton (H-donor O), and oxygen ions that are hydrogen bonded to a proton (H-acceptor O). The 17O calculated shifts and quadrupolar parameters are used to assign the experimental spectra, the assignments being confirmed by 1H–17O double resonance experiments. PMID:26321789

The low energy plasma in the Uranian magnetosphere

NASA Technical Reports Server (NTRS)

Mcnutt, R. L., Jr.; Belcher, J.; Bridge, H.; Lazarus, A. J.; Richardson, J.; Sands, M.; Bagenal, F.; Eviatar, A.; Goertz, C.; Ogilvie, K.

1987-01-01

The Plasma Science experiment on Voyager 2 detected a magnetosphere filled with a tenuous plasma, rotating with the planet. Temperatures of the plasma, composed of protons and electrons, ranged from 10 eV to about 1 keV. The sources of these protons and electrons are probably the ionosphere of Uranus or the extended neutral hydrogen cloud surrounding the planet. As at earth, Jupiter, and Saturn, there is an extended magnetotail with a central plasma sheet. Although similar in global structure to the magnetospheres of these planets, the large angle between the rotation and magnetic axes of the planet and the orientation of the rotation axis with respect to the solar wind flow make the Uranian magnetosphere unique.

Structure and conformational states of the bovine mitochondrial ATP synthase by cryo-EM

PubMed Central

Zhou, Anna; Rohou, Alexis; Schep, Daniel G; Bason, John V; Montgomery, Martin G; Walker, John E; Grigorieff, Nikolaus; Rubinstein, John L

2015-01-01

Adenosine triphosphate (ATP), the chemical energy currency of biology, is synthesized in eukaryotic cells primarily by the mitochondrial ATP synthase. ATP synthases operate by a rotary catalytic mechanism where proton translocation through the membrane-inserted FO region is coupled to ATP synthesis in the catalytic F1 region via rotation of a central rotor subcomplex. We report here single particle electron cryomicroscopy (cryo-EM) analysis of the bovine mitochondrial ATP synthase. Combining cryo-EM data with bioinformatic analysis allowed us to determine the fold of the a subunit, suggesting a proton translocation path through the FO region that involves both the a and b subunits. 3D classification of images revealed seven distinct states of the enzyme that show different modes of bending and twisting in the intact ATP synthase. Rotational fluctuations of the c8-ring within the FO region support a Brownian ratchet mechanism for proton-translocation-driven rotation in ATP synthases. DOI: http://dx.doi.org/10.7554/eLife.10180.001 PMID:26439008

Accelerating monoenergetic protons from ultrathin foils by flat-top laser pulses in the directed-Coulomb-explosion regime

PubMed Central

Bulanov, S. S.; Brantov, A.; Bychenkov, V. Yu.; Chvykov, V.; Kalinchenko, G.; Matsuoka, T.; Rousseau, P.; Reed, S.; Yanovsky, V.; Litzenberg, D. W.; Krushelnick, K.; Maksimchuk, A.

2008-01-01

We consider the effect of laser beam shaping on proton acceleration in the interaction of a tightly focused pulse with ultrathin double-layer solid targets in the regime of directed Coulomb explosion. In this regime, the heavy ions of the front layer are forced by the laser to expand predominantly in the direction of the pulse propagation, forming a moving longitudinal charge separation electric field, thus increasing the effectiveness of acceleration of second-layer protons. The utilization of beam shaping, namely, the use of flat-top beams, leads to more efficient proton acceleration due to the increase of the longitudinal field. PMID:18850951

Positioning of head and neck patients for proton therapy using proton range probes: a proof of concept study

NASA Astrophysics Data System (ADS)

Hammi, A.; Placidi, L.; Weber, D. C.; Lomax, A. J.

2018-01-01

To exploit the full potential of proton therapy, accurate and on-line methods to verify the patient positioning and the proton range during the treatment are desirable. Here we propose and validate an innovative technique for determining patient misalignment uncertainties through the use of a small number of low dose, carefully selected proton pencil beams (‘range probes’) (RP) with sufficient energy that their residual Bragg peak (BP) position and shape can be measured on exit. Since any change of the patient orientation in relation to these beams will result in changes of the density heterogeneities through which they pass, our hypothesis is that patient misalignments can be deduced from measured changes in Bragg curve (BC) shape and range. As such, a simple and robust methodology has been developed that estimates average proton range and range dilution of the detected residual BC, in order to locate range probe positions with optimal prediction power for detecting misalignments. The validation of this RP based approach has been split into two phases. First we retrospectively investigate its potential to detect translational patient misalignments under real clinical conditions. Second, we test it for determining rotational errors of an anthropomorphic phantom that was systematically rotated using an in-house developed high precision motion stage. Simulations of RPs in these two scenarios show that this approach could potentially predict translational errors to lower than1.5 mm and rotational errors to smaller than 1° using only three or five RPs positions respectively.

Organic doping of rotated double layer graphene

DOE Office of Scientific and Technical Information (OSTI.GOV)

George, Lijin; Jaiswal, Manu, E-mail: manu.jaiswal@iitm.ac.in

2016-05-06

Charge transfer techniques have been extensively used as knobs to tune electronic properties of two- dimensional systems, such as, for the modulation of conductivity \\ mobility of single layer graphene and for opening the bandgap in bilayer graphene. The charge injected into the graphene layer shifts the Fermi level away from the minimum density of states point (Dirac point). In this work, we study charge transfer in rotated double-layer graphene achieved by the use of organic dopant, Tetracyanoquinodimethane. Naturally occurring bilayer graphene has a well-defined A-B stacking whereas in rotated double-layer the two graphene layers are randomly stacked with differentmore » rotational angles. This rotation is expected to significantly alter the interlayer interaction. Double-layer samples are prepared using layer-by-layer assembly of chemical vapor deposited single-layer graphene and they are identified by characteristic resonance in the Raman spectrum. The charge transfer and distribution of charges between the two graphene layers is studied using Raman spectroscopy and the results are compared with that for single-layer and A-B stacked bilayer graphene doped under identical conditions.« less

Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

DOEpatents

Lessing, Paul A [Idaho Falls, ID

2008-07-22

An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

Polymeric hydrogen diffusion barrier, high-pressure storage tank so equipped, method of fabricating a storage tank and method of preventing hydrogen diffusion

DOEpatents

Lessing, Paul A.

2004-09-07

An electrochemically active hydrogen diffusion barrier which comprises an anode layer, a cathode layer, and an intermediate electrolyte layer, which is conductive to protons and substantially impermeable to hydrogen. A catalytic metal present in or adjacent to the anode layer catalyzes an electrochemical reaction that converts any hydrogen that diffuses through the electrolyte layer to protons and electrons. The protons and electrons are transported to the cathode layer and reacted to form hydrogen. The hydrogen diffusion barrier is applied to a polymeric substrate used in a storage tank to store hydrogen under high pressure. A storage tank equipped with the electrochemically active hydrogen diffusion barrier, a method of fabricating the storage tank, and a method of preventing hydrogen from diffusing out of a storage tank are also disclosed.

Chiroptical Properties of Imines Derived from R-(+)-Norbornenone: The Role of Electronegativity Differences.

PubMed

Wiberg, Kenneth B

2017-11-02

To allow a comparison with the specific rotations of R-(+)-5-methylenenorbornene (1) and R-(+)-norbornenone (2) we performed calculations at the LC-wPBE/aug-cc-pVTZ level for the imines (5a and 5b) derived from norbornenone and also for their protonated derivative (6). In accord with our results for simpler systems, the specific rotations increase in the order of 1 < 5 < 2 ≈ 6. In addition, the specific rotation of the protonated ketone was calculated and found to be considerably larger than that for 2 or 6. These rotations were found to be linearly dependent on the Hirshfeld charges at the carbon of the exocyclic double bond. This leads to the conclusion that charge transfer from the endocyclic double bond to the π* MO of the exocyclic double bond is an important component of the process that leads to the optical activity of these compounds.

Development of a Muon Rotating Target for J-PARC/MUSE

NASA Astrophysics Data System (ADS)

Makimura, Shunsuke; Kobayashi, Yasuo; Miyake, Yasuhiro; Kawamura, Naritoshi; Strasser, Patrick; Koda, Akihiro; Shimomura, Koichiro; Fujimori, Hiroshi; Nishiyama, Kusuo; Kato, Mineo; Kojima, Kenji; Higemoto, Wataru; Ito, Takashi; Shimizu, Ryou; Kadono, Ryosuke

At the J-PARC muon science facility (J-PARC/MUSE), a graphite target with a thickness of 20 mm has been used in vacuum to obtain an intense pulsed muon beam from the RCS 3-GeV proton beam [1], [2]. In the current design, the target frame is constructed using copper with a stainless steel tube embedded for water cooling. The energy deposited by the proton beam at 1 MW is evaluated to be 3.3 kW on the graphite target and 600 W on the copper frame by a Monte-Carlo simulation code, PHITS [3]. Graphite materials are known to lose their crystal structure and can be shrunk under intense proton beam irradiation. Consequently, the lifetime of the muon target is essentially determined by the radiation damage in graphite, and is evaluated to be half a year [4]. Hence, we are planning to distribute the radiation damage by rotating a graphite wheel. Although the lifetime of graphite in this case will be more than 10 years, the design of the bearing must be carefully considered. Because the bearing in JPARC/MUSE is utilized in vacuum, under high radiation, and at high temperature, an inorganic and solid lubricant must be applied to the bearing. Simultaneously, the temperature of the bearing must also be decreased to extend the lifetime. In 2009, a mock-up of the Muon Rotating Target, which could heat up and rotate a graphite wheel, was fabricated. Then several tests were started to select the lubricant and to determine the structure of the Muon Rotating Target, the control system and so on. In this report, the present status of the Muon Rotating Target for J-PARC/MUSE, especially the development of a rotation system in vacuum, is described.

NMR studies of multiple conformations in complexes of Lactobacillus casei dihydrofolate reductase with analogues of pyrimethamine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Birdsall, B.; Tendler, S.J.B.; Feeney, J.

1990-10-01

{sup 1}H and {sup 19}F NMR signals from bound ligands have been assigned in one- and two-dimensional NMR spectra of complexes of Lactobacillus casei dihydrofolate reductase with various pyrimethamine analogues. The signals were identified mainly by correlating signals from bound and free ligands by using 2D exchange experiments. Analogues with symmetrically substituted phenyl rings give rise to {sup 1}H signals from four nonequivalent aromatic protons, clearly indicating the presence of hindered rotation about the pyrimidine-phenyl bond. Analogues with symmetrically substituted phenyl rings give rise to {sup 1}H signals from four nonequivalent aromatic protons, clearly indicating the presence of hindered rotationmore » about the pyrimidine-phenyl bond. Analogues containing asymmetrically substituted aromatic rings exist as mixtures of two rotational isomers (an enantiomeric pair) because of this hindered rotation and the NMR spectra revealed that both isomers (forms A and B) bind to the enzyme with comparable, though unequal, binding energies. In this case two complete sets of bound proton signals were observed. The relative orientations of the two forms have been determined from NOE through-space connections between protons on the ligand and protein. Ternary complexes with NADP{sup {plus}} were also examined.« less

Broadband integrated polarization rotator using three-layer metallic grating structures

DOE PAGES

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen; ...

2018-01-05

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

Broadband integrated polarization rotator using three-layer metallic grating structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Ren -Hao; Liu, Dong; Peng, Ru -Wen

In this work, we demonstrate broadband integrated polarization rotator (IPR) with a series of three-layer rotating metallic grating structures. This transmissive optical IPR can conveniently rotate the polarization of linearly polarized light to any desired directions at different spatial locations with high conversion efficiency, which is nearly constant for different rotation angles. The linear polarization rotation originates from multi-wave interference in the three-layer grating structure. As a result, we anticipate that this type of IPR will find wide applications in analytical chemistry, biology, communication technology, imaging, etc.

Hydrogen blistering under extreme radiation conditions

NASA Astrophysics Data System (ADS)

Sznajder, Maciej; Geppert, Ulrich; Dudek, Miroslaw

2018-01-01

Metallic surfaces, exposed to a proton flux, start to degradate by molecular hydrogen blisters. These are created by recombination of protons with metal electrons. Continued irradiation progresses blistering, which is undesired for many technical applications. In this work, the effect of the proton flux magnitude onto the degradation of native metal oxide layers and its consequences for blister formation has been examined. To study this phenomenon, we performed proton irradiation experiments of aluminium surfaces. The proton kinetic energy was chosen so that all recombined hydrogen is trapped within the metal structure. As a result, we discovered that intense proton irradiation increases the permeability of aluminium oxide layers for hydrogen atoms, thereby counteracting blister formation. These findings may improve the understanding of the hydrogen blistering process, are valid for all metals kept under terrestrial ambient conditions, and important for the design of proton irradiation tests.

Microwave measurements of the tropolone–formic acid doubly hydrogen bonded dimer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pejlovas, Aaron M.; Kukolich, Stephen G.; Serrato, Agapito

2016-01-28

The microwave spectrum was measured for the doubly hydrogen bonded dimer formed between tropolone and formic acid. The predicted symmetry of this dimer was C{sub 2v}(M), and it was expected that the concerted proton tunneling motion would be observed. After measuring 25 a- and b-type rotational transitions, no splittings which could be associated with a concerted double proton tunneling motion were observed. The calculated barrier to the proton tunneling motion is near 15 000 cm{sup −1}, which would likely make the tunneling frequencies too small to observe in the microwave spectra. The rotational and centrifugal distortion constants determined from the measuredmore » transitions were A = 2180.7186(98) MHz, B = 470.873 90(25) MHz, C = 387.689 84(22) MHz, D{sub J} = 0.0100(14) kHz, D{sub JK} = 0.102(28) kHz, and D{sub K} = 13.2(81) kHz. The B3LYP/aug-cc-pVTZ calculated rotational constants were within 1% of the experimentally determined values.« less

Function of Proline Residues of MotA in Torque Generation by the Flagellar Motor of Escherichia coli

PubMed Central

Braun, Timothy F.; Poulson, Susan; Gully, Jonathan B.; Empey, J. Courtney; Van Way, Susan; Putnam, Angélica; Blair, David F.

1999-01-01

Bacterial flagellar motors obtain energy for rotation from the membrane gradient of protons or, in some species, sodium ions. The molecular mechanism of flagellar rotation is not understood. MotA and MotB are integral membrane proteins that function in proton conduction and are believed to form the stator of the motor. Previous mutational studies identified two conserved proline residues in MotA (Pro 173 and Pro 222 in the protein from Escherichia coli) and a conserved aspartic acid residue in MotB (Asp 32) that are important for function. Asp 32 of MotB probably forms part of the proton path through the motor. To learn more about the roles of the conserved proline residues of MotA, we examined motor function in Pro 173 and Pro 222 mutants, making measurements of torque at high load, speed at low and intermediate loads, and solvent-isotope effects (D2O versus H2O). Proton conduction by wild-type and mutant MotA-MotB channels was also assayed, by a growth defect that occurs upon overexpression. Several different mutations of Pro 173 reduced the torque of the motor under high load, and a few prevented motor rotation but still allowed proton flow through the MotA-MotB channels. These and other properties of the mutants suggest that Pro 173 has a pivotal role in coupling proton flow to motor rotation and is positioned in the channel near Asp 32 of MotB. Replacements of Pro 222 abolished function in all assays and were strongly dominant. Certain Pro 222 mutant proteins prevented swimming almost completely when expressed at moderate levels in wild-type cells. This dominance might be caused by rotor-stator jamming, because it was weaker when FliG carried a mutation believed to increase rotor-stator clearance. We propose a mechanism for torque generation, in which specific functions are suggested for the proline residues of MotA and Asp32 of MotB. PMID:10348868

SU-E-T-182: Feasibility of Dose Painting by Numbers in Proton Therapy with Contour-Driven Plan Optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Montero, A Barragan; Differding, S; Lee, J

Purpose: The work aims to 1) prove the feasibility of dose painting by numbers (DPBN) in proton therapy with usual contour-driven plan optimization and 2) compare the achieved plan quality to that of rotational IMRT. Methods: For two patients with head and neck cancers, voxel-by-voxel prescription to the target volume (PTV-PET) was calculated from {sup 18} FDG-PET images and converted to contour-based prescription by defining several sub-contours. Treatments were planned with RayStation (RaySearch Laboratories, Sweden) and proton pencil beam scanning modality. In order to determine the optimal plan parameters to approach the DPBN prescription, the effect of the number ofmore » fields, number of sub-contours and use of range shifter were tested separately on each patient. The number of sub-contours were increased from 3 to 11 while the number of fields were set to 3, 5, 7 and 9. Treatment plans were also optimized on two rotational IMRT systems (TomoTherapy and Varian RapidArc) using previously published guidelines. Results: For both patients, more than 99% of the PTV-PET received at least 95% of the prescribed dose while less than 1% of the PTV-PET received more than 105%, which demonstrates the feasibility of the treatment. Neither the use of a range shifter nor the increase of the number of fields had a significant influence on PTV coverage. Plan quality increased when increasing number of fields up to 7 or 9 and slightly decreased for a bigger number of sub-contours. Good OAR sparing is achieved while keeping high plan quality. Finally, proton therapy achieved significantly better plan quality than rotational IMRT. Conclusion: Voxel-by-voxel prescriptions can be approximated accurately in proton therapy using a contour-driven optimization. Target coverage is nearly insensitive to the number of fields and the use of a range shifter. Finally, plan quality assessment confirmed the superiority of proton therapy compared to rotational IMRT.« less

Proton transfer to charged platinum electrodes. A molecular dynamics trajectory study.

PubMed

Wilhelm, Florian; Schmickler, Wolfgang; Spohr, Eckhard

2010-05-05

A recently developed empirical valence bond (EVB) model for proton transfer on Pt(111) electrodes (Wilhelm et al 2008 J. Phys. Chem. C 112 10814) has been applied in molecular dynamics (MD) simulations of a water film in contact with a charged Pt surface. A total of seven negative surface charge densities σ between -7.5 and -18.9 µC cm(-2) were investigated. For each value of σ, between 30 and 84 initial conditions of a solvated proton within a water slab were sampled, and the trajectories were integrated until discharge of a proton occurred on the charged surfaces. We have calculated the mean rates for discharge and for adsorption of solvated protons within the adsorbed water layer in contact with the metal electrode as a function of surface charge density. For the less negative values of σ we observe a Tafel-like exponential increase of discharge rate with decreasing σ. At the more negative values this exponential increase levels off and the discharge process is apparently transport limited. Mechanistically, the Tafel regime corresponds to a stepwise proton transfer: first, a proton is transferred from the bulk into the contact water layer, which is followed by transfer of a proton to the charged surface and concomitant discharge. At the more negative surface charge densities the proton transfer into the contact water layer and the transfer of another proton to the surface and its discharge occur almost simultaneously.

SU-E-J-213: Imaging and Treatment Isocenter Verification of a Gantry Mounted Proton Therapy System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Price, S; Goddu, S; Rankine, L

2014-06-01

Purpose: The Mevion proton therapy machine is the first to feature a gantry mounted sychro-cyclotron. In addition, the system utilizes a 6D motion couch and kV imaging for precise proton therapy. To quantify coincidence between these systems, isocentricity tests were performed based on kV imaging alignment using radiochromic film. Methods: The 100 ton gantry and 6D robotic couch can rotate 190° around isocenter to provide necessary beam angles for treatment. The kV sources and detector panels are deployed as needed to acquire orthogonal portals. Gantry and couch mechanical isocenter were tested using star-shots and radiochromic-film (RCF). Using kV imaging, themore » star-shot phantom was aligned to an embedded fiducial and the isocenter was marked on RCF with a pinprick. The couch and gantry stars were performed by irradiating films at every 45° and 30°, respectively. A proton beam with a range and modulation-width of 18 cm was used. A Winston-Lutz test was also performed at the same gantry and couch rotations using a custom jig holding RCF and a tungsten ball placed at isocenter. A 2 cm diameter circular aperture was used for the irradiation. Results: The couch star-shot indicated a minimum tangent circle of 0.6 mm, with a 0.9 mm offset from the manually marked isocenter. The gantry star-shot showed a 0.6 mm minimum tangent circle with a 0.5 mm offset from the pinprick. The Winston Lutz test performed for gantry rotation showed a maximum deviation from center of 0.5 mm. Conclusion: Based on star-shots and Winston-Lutz tests, the proton gantry and 6D couch isocentricity are within 1 mm. In this study, we have shown that the methods commonly utilized for Linac characterization can be applied to proton therapy. This revolutionary proton therapy system possesses excellent agreement between the mechanical and radiation isocenter, providing highly precise treatment.« less

AN ONLINE, RADIATION HARD PROTON ENERGY-RESOLVING SCINTILLATOR STACK FOR LASER-DRIVEN PROTON BUNCHES.

PubMed

Englbrecht, Franz Siegfried; Würl, Matthias; Olivari, Francesco; Ficorella, Andrea; Kreuzer, Christian; Lindner, Florian H; Palma, Matteo Dalla; Pancheri, Lucio; Betta, Gian-Franco Dalla; Schreiber, Jörg; Quaranta, Alberto; Parodi, Katia

2018-02-03

We report on a scintillator-based online detection system for the spectral characterization of polychromatic proton bunches. Using up to nine stacked layers of radiation hard polysiloxane scintillators, coupled to and readout edge-on by a large area pixelated CMOS detector, impinging polychromatic proton bunches were characterized. The energy spectra were reconstructed using calibration data and simulated using Monte-Carlo simulations. Despite the scintillator stack showed some problems like thickness inhomogeneities and unequal layer coupling, the prototype allows to obtain a first estimate of the energy spectrum of proton beams. © The Author(s) 2018. Published by Oxford University Press. All rights reserved. For Permissions, please email: journals.permissions@oup.com.

The development and clinical use of a beam ON-LINE PET system mounted on a rotating gantry port in proton therapy.

PubMed

Nishio, Teiji; Miyatake, Aya; Ogino, Takashi; Nakagawa, Keiichi; Saijo, Nagahiro; Esumi, Hiroyasu

2010-01-01

To verify the usefulness of our developed beam ON-LINE positron emission tomography (PET) system mounted on a rotating gantry port (BOLPs-RGp) for dose-volume delivery-guided proton therapy (DGPT). In the proton treatment room at our facility, a BOLPs-RGp was constructed so that a planar PET apparatus could be mounted with its field of view covering the iso-center of the beam irradiation system. Activity measurements were performed in 48 patients with tumors of the head and neck, liver, lungs, prostate, and brain. The position and intensity of the activity were measured using the BOLPs-RGp during the 200 s immediately after the proton irradiation. The daily measured activity images acquired by the BOLPs-RGp showed the proton irradiation volume in each patient. Changes in the proton-irradiated volume were indicated by differences between a reference activity image (taken at the first treatment) and the daily activity-images. In the case of head-and-neck treatment, the activity distribution changed in the areas where partial tumor reduction was observed. In the case of liver treatment, it was observed that the washout effect in necrotic tumor cells was slower than in non-necrotic tumor cells. The BOLPs-RGp was developed for the DGPT. The accuracy of proton treatment was evaluated by measuring changes of daily measured activity. Information about the positron-emitting nuclei generated during proton irradiation can be used as a basis for ensuring the high accuracy of irradiation in proton treatment.

Microwave measurements of proton tunneling and structural parameters for the propiolic acid-formic acid dimer.

PubMed

Daly, Adam M; Douglass, Kevin O; Sarkozy, Laszlo C; Neill, Justin L; Muckle, Matt T; Zaleski, Daniel P; Pate, Brooks H; Kukolich, Stephen G

2011-10-21

Microwave spectra of the propiolic acid-formic acid doubly hydrogen bonded complex were measured in the 1 GHz to 21 GHz range using four different Fourier transform spectrometers. Rotational spectra for seven isotopologues were obtained. For the parent isotopologue, a total of 138 a-dipole transitions and 28 b-dipole transitions were measured for which the a-dipole transitions exhibited splittings of a few MHz into pairs of lines and the b-type dipole transitions were split by ~580 MHz. The transitions assigned to this complex were fit to obtain rotational and distortion constants for both tunneling levels: A(0+) = 6005.289(8), B(0+) = 930.553(8), C(0+) = 803.9948(6) MHz, Δ(0+)(J) = 0.075(1), Δ(0+)(JK) = 0.71(1), and δ(0+)(j) = -0.010(1) kHz and A(0-) = 6005.275(8), B(0-) = 930.546(8), C(0-) = 803.9907(5) MHz, Δ(0-)(J) = 0.076(1), Δ(0-)(JK) = 0.70(2), and δ(0-)(j) = -0.008(1) kHz. Double resonance experiments were used on some transitions to verify assignments and to obtain splittings for cases when the b-dipole transitions were difficult to measure. The experimental difference in energy between the two tunneling states is 291.428(5) MHz for proton-proton exchange and 3.35(2) MHz for the deuterium-deuterium exchange. The vibration-rotation coupling constant between the two levels, F(ab), is 120.7(2) MHz for the proton-proton exchange. With one deuterium atom substituted in either of the hydrogen-bonding protons, the tunneling splittings were not observed for a-dipole transitions, supporting the assignment of the splitting to the concerted proton tunneling motion. The spectra were obtained using three Flygare-Balle type spectrometers and one chirped-pulse machine at the University of Virginia. Rotational constants and centrifugal distortion constants were obtained for HCOOH···HOOCCCH, H(13)COOH···HOOCCCH, HCOOD···HOOCCCH, HCOOH···DOOCCCH, HCOOD···DOOCCCH, DCOOH···HOOCCCH, and DCOOD···HOOCCCH. High-level ab initio calculations provided initial rotational constants for the complex, structural parameters, and some details of the proton tunneling potential energy surface. A least squares fit to the isotopic data reveals a planar structure that is slightly asymmetric in the OH distances. The formic OH···O propiolic hydrogen bond length is 1.8 Å and the propiolic OH···O formic hydrogen bond length is 1.6 Å, for the equilibrium configuration. The magnitude of the dipole moment was experimentally determined to be 1.95(3) × 10(-30) C m (0.584(8) D) for the 0(+) states and 1.92(5) × 10(-30) C m (0.576(14) D) for the 0(-) states. © 2011 American Institute of Physics

Simulation of a beam rotation system for a spallation source

NASA Astrophysics Data System (ADS)

Reiss, Tibor; Reggiani, Davide; Seidel, Mike; Talanov, Vadim; Wohlmuther, Michael

2015-04-01

With a nominal beam power of nearly 1 MW on target, the Swiss Spallation Neutron Source (SINQ), ranks among the world's most powerful spallation neutron sources. The proton beam transport to the SINQ target is carried out exclusively by means of linear magnetic elements. In the transport line to SINQ the beam is scattered in two meson production targets and as a consequence, at the SINQ target entrance the beam shape can be described by Gaussian distributions in transverse x and y directions with tails cut short by collimators. This leads to a highly nonuniform power distribution inside the SINQ target, giving rise to thermal and mechanical stresses. In view of a future proton beam intensity upgrade, the possibility of homogenizing the beam distribution by means of a fast beam rotation system is currently under investigation. Important aspects which need to be studied are the impact of a rotating proton beam on the resulting neutron spectra, spatial flux distributions and additional—previously not present—proton losses causing unwanted activation of accelerator components. Hence a new source description method was developed for the radiation transport code MCNPX. This new feature makes direct use of the results from the proton beam optics code TURTLE. Its advantage to existing MCNPX source options is that all phase space information and correlations of each primary beam particle computed with TURTLE are preserved and transferred to MCNPX. Simulations of the different beam distributions together with their consequences in terms of neutron production are presented in this publication. Additionally, a detailed description of the coupling method between TURTLE and MCNPX is provided.

Conformational analysis of the chemical shifts for molecules containing diastereotopic methylene protons

NASA Astrophysics Data System (ADS)

Borowski, Piotr

2012-01-01

Quantum chemistry SCF/GIAO calculations were carried out on a set of compounds containing diastereotopic protons. Five molecules, including recently synthesized 1,3-di(2,3-epoxypropoxy)benzene, containing the chiral or pro-chiral center and the neighboring methylene group, were chosen. The rotational averages (i.e. normalized averages with respect to the rotation about the torsional angle τ with the exponential energy weight at temperature T) calculated individually for each of the methylene protons in 1,3-di(2,3-epoxypropoxy)benzene differ by ca. 0.6 ppm, which is significantly less than the value calculated for the lowest energy conformer. This value turned out to be low enough to guarantee the proper ordering of theoretical chemical shifts, supporting the interpretation of the 1H NMR spectrum of this important compound. The rotational averages of chemical shifts for methylene protons for a given type of conformer are shown to be essentially equal to the Boltzmann averages (here, the population-weighted averages for the individual conformers representing minima on the E( τ) cross-section). The calculated Boltzmann averages in the representative conformational space may exhibit completely different ordering as compared to the chemical shifts calculated for the lowest-energy conformer. This is especially true in the case of molecules, for which no significant steric effects are present. In this case, only Boltzmann averages account for the experimental pattern of proton signals. In addition, better overall agreement with experiment (lower value of the root-mean-square deviation between calculated and measured chemical shifts) is typically obtained when Boltzmann averages are used.

A robotic C-arm cone beam CT system for image-guided proton therapy: design and performance.

PubMed

Hua, Chiaho; Yao, Weiguang; Kidani, Takao; Tomida, Kazuo; Ozawa, Saori; Nishimura, Takenori; Fujisawa, Tatsuya; Shinagawa, Ryousuke; Merchant, Thomas E

2017-11-01

A ceiling-mounted robotic C-arm cone beam CT (CBCT) system was developed for use with a 190° proton gantry system and a 6-degree-of-freedom robotic patient positioner. We report on the mechanical design, system accuracy, image quality, image guidance accuracy, imaging dose, workflow, safety and collision-avoidance. The robotic CBCT system couples a rotating C-ring to the C-arm concentrically with a kV X-ray tube and a flat-panel imager mounted to the C-ring. CBCT images are acquired with flex correction and maximally 360° rotation for a 53 cm field of view. The system was designed for clinical use with three imaging locations. Anthropomorphic phantoms were imaged to evaluate the image guidance accuracy. The position accuracy and repeatability of the robotic C-arm was high (<0.5 mm), as measured with a high-accuracy laser tracker. The isocentric accuracy of the C-ring rotation was within 0.7 mm. The coincidence of CBCT imaging and radiation isocentre was better than 1 mm. The average image guidance accuracy was within 1 mm and 1° for the anthropomorphic phantoms tested. Daily volumetric imaging for proton patient positioning was specified for routine clinical practice. Our novel gantry-independent robotic CBCT system provides high-accuracy volumetric image guidance for proton therapy. Advances in knowledge: Ceiling-mounted robotic CBCT provides a viable option than CT on-rails for partial gantry and fixed-beam proton systems with the added advantage of acquiring images at the treatment isocentre.

Rotational and translational dynamics and their relation to hydrogen bond lifetimes in an ionic liquid by means of NMR relaxation time experiments and molecular dynamics simulation

NASA Astrophysics Data System (ADS)

Strate, Anne; Neumann, Jan; Overbeck, Viviane; Bonsa, Anne-Marie; Michalik, Dirk; Paschek, Dietmar; Ludwig, Ralf

2018-05-01

We report a concerted theoretical and experimental effort to determine the reorientational dynamics as well as hydrogen bond lifetimes for the doubly ionic hydrogen bond +OH⋯O- in the ionic liquid (2-hydroxyethyl)trimethylammonium bis(trifluoromethylsulfonyl)imide [Ch][NTf2] by using a combination of NMR relaxation time experiments, density functional theory (DFT) calculations, and molecular dynamics (MD) simulations. Due to fast proton exchange, the determination of rotational correlation times is challenging. For molecular liquids, 17O-enhanced proton relaxation time experiments have been used to determine the rotational correlation times for the OH vectors in water or alcohols. As an alternative to those expensive isotopic substitution experiments, we employed a recently introduced approach which is providing access to the rotational dynamics from a single NMR deuteron quadrupolar relaxation time experiment. Here, the deuteron quadrupole coupling constants (DQCCs) are obtained from a relation between the DQCC and the δ1H proton chemical shifts determined from a set of DFT calculated clusters in combination with experimentally determined proton chemical shifts. The NMR-obtained rotational correlation times were compared to those obtained from MD simulations and then related to viscosities for testing the applicability of popular hydrodynamic models. In addition, hydrogen bond lifetimes were derived, using hydrogen bond population correlation functions computed from MD simulations. Here, two different time domains were observed: The short-time contributions to the hydrogen lifetimes and the reorientational correlation times have roughly the same size and are located in the picosecond range, whereas the long-time contributions decay with relaxation times in the nanosecond regime and are related to rather slow diffusion processes. The computed average hydrogen bond lifetime is dominated by the long-time process, highlighting the importance and longevity of hydrogen-bonded ion pairs in these ionic liquids.

Study on corrosion migrations within catalyst-coated membranes of proton exchange membrane electrolyzer cells

DOE PAGES

Mo, Jingke; Steen, Stuart; Kang, Zhenye; ...

2017-10-09

The corrosion of low-cost, easily manufactured metallic components inside the electrochemical environment of proton exchange membrane electrolyzer cells (PEMECs) has a significant effect on their performance and durability. Here, 316 stainless steel (SS) mesh was used as a model liquid/gas diffusion layer material to investigate the migration of corrosion products in the catalyst-coated membrane of a PEMEC. Iron and nickel cation particles were found distributed throughout the anode catalyst layer, proton exchange membrane, and cathode catalyst layer, as revealed by scanning transmission electron microscopy and energy dispersive X-ray spectroscopy. Our results indicate the corrosion products of 316 SS are transportedmore » from anode to cathode through the nanochannels of the Nafion membrane, resulting in impeded proton transport and overall PEMEC performance loss.« less

Study on corrosion migrations within catalyst-coated membranes of proton exchange membrane electrolyzer cells

DOE Office of Scientific and Technical Information (OSTI.GOV)

Mo, Jingke; Steen, Stuart; Kang, Zhenye

The corrosion of low-cost, easily manufactured metallic components inside the electrochemical environment of proton exchange membrane electrolyzer cells (PEMECs) has a significant effect on their performance and durability. Here, 316 stainless steel (SS) mesh was used as a model liquid/gas diffusion layer material to investigate the migration of corrosion products in the catalyst-coated membrane of a PEMEC. Iron and nickel cation particles were found distributed throughout the anode catalyst layer, proton exchange membrane, and cathode catalyst layer, as revealed by scanning transmission electron microscopy and energy dispersive X-ray spectroscopy. Our results indicate the corrosion products of 316 SS are transportedmore » from anode to cathode through the nanochannels of the Nafion membrane, resulting in impeded proton transport and overall PEMEC performance loss.« less

The Effect of Rotation on Oscillatory Double-diffusive Convection (Semiconvection)

NASA Astrophysics Data System (ADS)

Moll, Ryan; Garaud, Pascale

2017-01-01

Oscillatory double-diffusive convection (ODDC, more traditionally called semiconvection) is a form of linear double-diffusive instability that occurs in fluids that are unstably stratified in temperature (Schwarzschild unstable), but stably stratified in chemical composition (Ledoux stable). This scenario is thought to be quite common in the interiors of stars and giant planets, and understanding the transport of heat and chemical species by ODDC is of great importance to stellar and planetary evolution models. Fluids unstable to ODDC have a tendency to form convective thermocompositional layers that significantly enhance the fluxes of temperature and chemical composition compared with microscopic diffusion. Although a number of recent studies have focused on studying properties of both layered and nonlayered ODDC, few have addressed how additional physical processes such as global rotation affect its dynamics. In this work, we study first how rotation affects the linear stability properties of rotating ODDC. Using direct numerical simulations, we then analyze the effect of rotation on properties of layered and nonlayered ODDC, and we study how the angle of the rotation axis with respect to the direction of gravity affects layering. We find that rotating systems can be broadly grouped into two categories based on the strength of rotation. The qualitative behavior in the more weakly rotating group is similar to nonrotating ODDC, but strongly rotating systems become dominated by vortices that are invariant in the direction of the rotation vector and strongly influence transport. We find that whenever layers form, rotation always acts to reduce thermal and compositional transport.

Bound Motion of Bodies and Paticles in the Rotating Systems

NASA Astrophysics Data System (ADS)

Pardy, Miroslav

2007-04-01

The Lagrange theory of particle motion in the noninertial systems is applied to the Foucault pendulum, isosceles triangle pendulum and the general triangle pendulum swinging on the rotating Earth. As an analogue, planet orbiting in the rotating galaxy is considered as the giant galactic gyroscope. The Lorentz equation and the Bargmann-Michel-Telegdi equations are generalized for the rotation system. The knowledge of these equations is inevitable for the construction of LHC where each orbital proton “feels” the Coriolis force caused by the rotation of the Earth.

Oxygen Reduction Reaction Measurements on Platinum Electrocatalysts Utilizing Rotating Disk Electrode Technique: II. Influence of Ink Formulation, Catalyst Layer Uniformity and Thickness

DOE PAGES

Shinozaki, Kazuma; Zack, Jason W.; Pylypenko, Svitlana; ...

2015-09-17

Platinum electrocatalysts supported on high surface area and Vulcan carbon blacks (Pt/HSC, Pt/V) were characterized in rotating disk electrode (RDE) setups for electrochemical area (ECA) and oxygen reduction reaction (ORR) area specific activity (SA) and mass specific activity (MA) at 0.9 V. Films fabricated using several ink formulations and film-drying techniques were characterized for a statistically significant number of independent samples. The highest quality Pt/HSC films exhibited MA 870 ± 91 mA/mgPt and SA 864 ± 56 μA/cm 2 Pt while Pt/V had MA 706 ± 42 mA/mgPt and SA 1120 ± 70 μA/cm 2 Pt when measured in 0.1more » M HClO 4, 20 mV/s, 100 kPa O 2 and 23±2°C. An enhancement factor of 2.8 in themeasured SA was observable on eliminating Nafion ionomer and employing extremely thin, uniform films (~4.5 μg/cm 2 Pt) of Pt/HSC. The ECA for Pt/HSC (99 ± 7 m2/gPt) and Pt/V (65 ± 5 m 2/gPt) were statistically invariant and insensitive to film uniformity/thickness/fabrication technique; accordingly, enhancements in MA are wholly attributable to increases in SA. Impedance measurements coupled with scanning electron microscopy were used to de-convolute the losses within the catalyst layer and ascribed to the catalyst layer resistance, oxygen diffusion, and sulfonate anion adsorption/blocking. The ramifications of these results for proton exchange membrane fuel cells have also been examined.« less

Oxygen Reduction Reaction Measurements on Platinum Electrocatalysts Utilizing Rotating Disk Electrode Technique: II. Influence of Ink Formulation, Catalyst Layer Uniformity and Thickness

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shinozaki, Kazuma; Zack, Jason W.; Pylypenko, Svitlana

Platinum electrocatalysts supported on high surface area and Vulcan carbon blacks (Pt/HSC, Pt/V) were characterized in rotating disk electrode (RDE) setups for electrochemical area (ECA) and oxygen reduction reaction (ORR) area specific activity (SA) and mass specific activity (MA) at 0.9 V. Films fabricated using several ink formulations and film-drying techniques were characterized for a statistically significant number of independent samples. The highest quality Pt/HSC films exhibited MA 870 ± 91 mA/mgPt and SA 864 ± 56 μA/cm 2 Pt while Pt/V had MA 706 ± 42 mA/mgPt and SA 1120 ± 70 μA/cm 2 Pt when measured in 0.1more » M HClO 4, 20 mV/s, 100 kPa O 2 and 23±2°C. An enhancement factor of 2.8 in themeasured SA was observable on eliminating Nafion ionomer and employing extremely thin, uniform films (~4.5 μg/cm 2 Pt) of Pt/HSC. The ECA for Pt/HSC (99 ± 7 m2/gPt) and Pt/V (65 ± 5 m 2/gPt) were statistically invariant and insensitive to film uniformity/thickness/fabrication technique; accordingly, enhancements in MA are wholly attributable to increases in SA. Impedance measurements coupled with scanning electron microscopy were used to de-convolute the losses within the catalyst layer and ascribed to the catalyst layer resistance, oxygen diffusion, and sulfonate anion adsorption/blocking. The ramifications of these results for proton exchange membrane fuel cells have also been examined.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Moll, Ryan; Garaud, Pascale, E-mail: rmoll@soe.ucsc.edu

Oscillatory double-diffusive convection (ODDC, more traditionally called semiconvection) is a form of linear double-diffusive instability that occurs in fluids that are unstably stratified in temperature (Schwarzschild unstable), but stably stratified in chemical composition (Ledoux stable). This scenario is thought to be quite common in the interiors of stars and giant planets, and understanding the transport of heat and chemical species by ODDC is of great importance to stellar and planetary evolution models. Fluids unstable to ODDC have a tendency to form convective thermocompositional layers that significantly enhance the fluxes of temperature and chemical composition compared with microscopic diffusion. Although a numbermore » of recent studies have focused on studying properties of both layered and nonlayered ODDC, few have addressed how additional physical processes such as global rotation affect its dynamics. In this work, we study first how rotation affects the linear stability properties of rotating ODDC. Using direct numerical simulations, we then analyze the effect of rotation on properties of layered and nonlayered ODDC, and we study how the angle of the rotation axis with respect to the direction of gravity affects layering. We find that rotating systems can be broadly grouped into two categories based on the strength of rotation. The qualitative behavior in the more weakly rotating group is similar to nonrotating ODDC, but strongly rotating systems become dominated by vortices that are invariant in the direction of the rotation vector and strongly influence transport. We find that whenever layers form, rotation always acts to reduce thermal and compositional transport.« less

Defect characterization of proton irradiated GaAs pn-junction diodes with layers of InAs quantum dots

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sato, Shin-ichiro, E-mail: sato.shinichiro@jaea.go.jp; Optoelectronics and Radiation Effects Branch, U.S. Naval Research Laboratory, Washington, DC 20375; Schmieder, Kenneth J.

2016-05-14

In order to expand the technology of III-V semiconductor devices with quantum structures to both terrestrial and space use, radiation induced defects as well as native defects generated in the quantum structures should be clarified. Electrically active defects in GaAs p{sup +}n diodes with embedded ten layers of InAs quantum dots (QDs) are investigated using Deep Level Transient Fourier Spectroscopy. Both majority carrier (electron) and minority carrier (hole) traps are characterized. In the devices of this study, GaP layers are embedded in between the QD layers to offset the compressive stress introduced during growth of InAs QDs. Devices are irradiatedmore » with high energy protons for three different fluences at room temperature in order to characterize radiation induced defects. Seven majority electron traps and one minority hole trap are found after proton irradiation. It is shown that four electron traps induced by proton irradiation increase in proportion to the fluence, whereas the EL2 trap, which appears before irradiation, is not affected by irradiation. These defects correspond to electron traps previously identified in GaAs. In addition, a 0.53 eV electron trap and a 0.14 eV hole trap are found in the QD layers before proton irradiation. It is shown that these native traps are also unaffected by irradiation. The nature of the 0.14 eV hole trap is thought to be Ga-vacancies in the GaP strain balancing layers.« less

Atomic model for the dimeric FO region of mitochondrial ATP synthase.

PubMed

Guo, Hui; Bueler, Stephanie A; Rubinstein, John L

2017-11-17

Mitochondrial adenosine triphosphate (ATP) synthase produces the majority of ATP in eukaryotic cells, and its dimerization is necessary to create the inner membrane folds, or cristae, characteristic of mitochondria. Proton translocation through the membrane-embedded F O region turns the rotor that drives ATP synthesis in the soluble F 1 region. Although crystal structures of the F 1 region have illustrated how this rotation leads to ATP synthesis, understanding how proton translocation produces the rotation has been impeded by the lack of an experimental atomic model for the F O region. Using cryo-electron microscopy, we determined the structure of the dimeric F O complex from Saccharomyces cerevisiae at a resolution of 3.6 angstroms. The structure clarifies how the protons travel through the complex, how the complex dimerizes, and how the dimers bend the membrane to produce cristae. Copyright © 2017, American Association for the Advancement of Science.

Conformational distribution of n-hexane in a nematic liquid crystal obtained from nuclear spin dipolar couplings by Monte Carlo sampling

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luzar, M.; Rosen, M.E.; Caldarelli, S.

Motionally averaged proton-proton dipolar couplings measured by nuclear magnetic resonance (NMR) spectroscopy can provide information about the conformations and orientations sampled by partially oriented molecules. In this study, the measured dipolar couplings between pairs of protons on n-hexane dissolved in a nematic liquid crystal solvent are used as constraints in a Monte Carlo sampling of the conformations and orientations of n-hexane. Rotation about each carbon-carbon bond in the molecule is modeled by the complete sinusoidal torsional potential of Ryckaert and Bellemans rather than by the three-state rotational isomeric states (RIS) model that has been used in previous studies. Comparison ofmore » the results of the simulations using the Ryckaert-Bellemans potential and the RIS model indicates little difference in the values of the adjustable parameters and the quality of the fits to the experimental data. The primary difference between the models appears in the calculated conformer probability distributions for n-hexane, highlighting the importance of the exact shape of the torsional potential used to model carbon-carbon bond rotation in organic molecules. 23 refs., 3 figs., 4 tabs.« less

High proton conductivity in the molecular interlayer of a polymer nanosheet multilayer film.

PubMed

Sato, Takuma; Hayasaka, Yuta; Mitsuishi, Masaya; Miyashita, Tokuji; Nagano, Shusaku; Matsui, Jun

2015-05-12

High proton conductivity was achieved in a polymer multilayer film with a well-defined two-dimensional lamella structure. The multilayer film was prepared by deposition of poly(N-dodecylacryamide-co-acrylic acid) (p(DDA/AA)) monolayers onto a solid substrate using the Langmuir-Blodgett technique. Grazing-angle incidence X-ray diffraction measurement of a 30-layer film of p(DDA/AA) showed strong diffraction peaks in the out-of-plane direction at 2θ = 2.26° and 4.50°, revealing that the multilayer film had a highly uniform layered structure with a monolayer thickness of 2.0 nm. The proton conductivity of the p(DDA/AA) multilayer film parallel to the layer plane direction was 0.051 S/cm at 60 °C and 98% relative humidity with a low activation energy of 0.35 eV, which is comparable to perfluorosulfonic acid membranes. The high conductivity and low activation energy resulted from the formation of uniform two-dimensional proton-conductive nanochannels in the hydrophilic regions of the multilayer film. The proton conductivity of the multilayer film perpendicular to the layer plane was determined to be 2.1 × 10(-13) S/cm. Therefore, the multilayer film showed large anisotropic conductivity with an anisotropic ratio of 2.4 × 10(11).

SU-F-T-154: An Evaluation and Quantification of Secondary Neutron Radiation Dose Due to Double Scatter and Pencil Beam Scanning Proton Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Glick, A; Diffenderfer, E

2016-06-15

Proton radiation therapy can deliver high radiation doses to tumors while sparing normal tissue. However, protons yield secondary neutron and gamma radiation that is difficult to detect, small in comparison to the prescribed dose, and not accounted for in most treatment planning systems. The risk for secondary malignancies after proton therapy may be dependent on the quality of this dose. Consequently, there is interest in characterizing the secondary radiation. Previously, we used the dual ionization chamber method to measure the separate absorbed dose from gamma-rays and neutrons secondary to the proton beam1, relying on characterization of ionization chamber response inmore » the unknown neutron spectrum from Monte Carlo simulation. We developed a procedure to use Shieldwerx activation foils, with neutron activation energies ranging from 0.025 eV to 13.5 MeV, to measure the neutron energy spectrum from double scattering (DS) and pencil beam scanning (PBS) protons outside of the treatment volume in a water tank. The activated foils are transferred to a NaI well chamber for gamma-ray spectroscopy and activity measurement. Since PBS treats in layers, the switching time between layers is used to correct for the decay of the activated foils and the relative dose per layer is assumed to be proportional to the neutron fluence per layer. MATLAB code was developed to incorporate the layer delivery and switching time into a calculation of foil activity, which is then used to determine the neutron energy fluence from tabulated foil activation energy thresholds.1. Diffenderfer et. al., Med. Phys., 38(11) 2011.« less

Measuring the proton selectivity of graphene membranes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Walker, Michael I.; Keyser, Ulrich F., E-mail: ufk20@cam.ac.uk; Braeuninger-Weimer, Philipp

2015-11-23

By systematically studying the proton selectivity of free-standing graphene membranes in aqueous solutions, we demonstrate that protons are transported by passing through defects. We study the current-voltage characteristics of single-layer graphene grown by chemical vapour deposition (CVD) when a concentration gradient of HCl exists across it. Our measurements can unambiguously determine that H{sup +} ions are responsible for the selective part of the ionic current. By comparing the observed reversal potentials with positive and negative controls, we demonstrate that the as-grown graphene is only weakly selective for protons. We use atomic layer deposition to block most of the defects inmore » our CVD graphene. Our results show that a reduction in defect size decreases the ionic current but increases proton selectivity.« less

Surface Chemistry of La0.99Sr0.01NbO4-d and Its Implication for Proton Conduction.

PubMed

Li, Cheng; Pramana, Stevin S; Ni, Na; Kilner, John; Skinner, Stephen J

2017-09-06

Acceptor-doped LaNbO 4 is a promising electrolyte material for proton-conducting fuel cell (PCFC) applications. As charge transfer processes govern device performance, the outermost surface of acceptor-doped LaNbO 4 will play an important role in determining the overall cell performance. However, the surface composition is poorly characterized, and the understanding of its impact on the proton exchange process is rudimentary. In this work, the surface chemistry of 1 atom % Sr-doped LaNbO 4 (La 0.99 Sr 0.01 NbO 4-d , denoted as LSNO) proton conductor is characterized using LEIS and SIMS. The implication of a surface layer on proton transport is studied using the isotopic exchange technique. It has shown that a Sr-enriched but La-deficient surface layer of about 6-7 nm thick forms after annealing the sample under static air at 1000 °C for 10 h. The onset of segregation is found to be between 600 and 800 °C, and an equilibrium surface layer forms after 10 h annealing. A phase separation mechanism, due to the low solubility of Sr in LaNbO 4 , has been proposed to explain the observed segregation behavior. The surface layer was concluded to impede the water incorporation process, leading to a reduced isotopic fraction after the D 2 16 O wet exchange process, highlighting the impact of surface chemistry on the proton exchange process.

ATP synthase--a marvellous rotary engine of the cell.

PubMed

Yoshida, M; Muneyuki, E; Hisabori, T

2001-09-01

ATP synthase can be thought of as a complex of two motors--the ATP-driven F1 motor and the proton-driven Fo motor--that rotate in opposite directions. The mechanisms by which rotation and catalysis are coupled in the working enzyme are now being unravelled on a molecular scale.

Mechanical and transport properties of layer-by-layer electrospun composite proton exchange membranes for fuel cell applications.

PubMed

Mannarino, Matthew M; Liu, David S; Hammond, Paula T; Rutledge, Gregory C

2013-08-28

Composite membranes composed of highly conductive and selective layer-by-layer (LbL) films and electrospun fiber mats were fabricated and characterized for mechanical strength and electrochemical selectivity. The LbL component consists of a proton-conducting, methanol-blocking poly(diallyl dimethyl ammonium chloride)/sulfonated poly(2,6-dimethyl-1,4-phenylene oxide) (PDAC/sPPO) thin film. The electrospun fiber component consists of poly(trimethyl hexamethylene terephthalamide) (PA 6(3)T) fibers in a nonwoven mat of 60-90% porosity. The bare mats were annealed to improve their mechanical properties, which improvements are shown to be retained in the composite membranes. Spray LbL assembly was used as a means for the rapid formation of proton-conducting films that fill the void space throughout the porous electrospun matrix and create a fuel-blocking layer. Coated mats as thin as 15 μm were fabricated, and viable composite membranes with methanol permeabilities 20 times lower than Nafion and through-plane proton selectivity five and a half times greater than Nafion are demonstrated. The mechanical properties of the spray coated electrospun mats are shown to be superior to the LbL-only system and possess intrinsically greater dimensional stability and lower mechanical hysteresis than Nafion under hydrated conditions. The composite proton exchange membranes fabricated here were tested in an operational direct methanol fuel cell. The results show the potential for higher open circuit voltages (OCV) and comparable cell resistances when compared to fuel cells based on Nafion.

High energy neutrinos from gamma-ray bursts with precursor supernovae.

PubMed

Razzaque, Soebur; Mészáros, Peter; Waxman, Eli

2003-06-20

The high energy neutrino signature from proton-proton and photo-meson interactions in a supernova remnant shell ejected prior to a gamma-ray burst provides a test for the precursor supernova, or supranova, model of gamma-ray bursts. Protons in the supernova remnant shell and photons entrapped from a supernova explosion or a pulsar wind from a fast-rotating neutron star remnant provide ample targets for protons escaping the internal shocks of the gamma-ray burst to interact and produce high energy neutrinos. We calculate the expected neutrino fluxes, which can be detected by current and future experiments.

Faster proton transfer dynamics of water on SnO2 compared to TiO2.

PubMed

Kumar, Nitin; Kent, Paul R C; Bandura, Andrei V; Kubicki, James D; Wesolowski, David J; Cole, David R; Sofo, Jorge O

2011-01-28

Proton jump processes in the hydration layer on the iso-structural TiO(2) rutile (110) and SnO(2) cassiterite (110) surfaces were studied with density functional theory molecular dynamics. We find that the proton jump rate is more than three times faster on cassiterite compared with rutile. A local analysis based on the correlation between the stretching band of the O-H vibrations and the strength of H-bonds indicates that the faster proton jump activity on cassiterite is produced by a stronger H-bond formation between the surface and the hydration layer above the surface. The origin of the increased H-bond strength on cassiterite is a combined effect of stronger covalent bonding and stronger electrostatic interactions due to differences of its electronic structure. The bridging oxygens form the strongest H-bonds between the surface and the hydration layer. This higher proton jump rate is likely to affect reactivity and catalytic activity on the surface. A better understanding of its origins will enable methods to control these rates.

Optimal vibration control of a rotating plate with self-sensing active constrained layer damping

NASA Astrophysics Data System (ADS)

Xie, Zhengchao; Wong, Pak Kin; Lo, Kin Heng

2012-04-01

This paper proposes a finite element model for optimally controlled constrained layer damped (CLD) rotating plate with self-sensing technique and frequency-dependent material property in both the time and frequency domain. Constrained layer damping with viscoelastic material can effectively reduce the vibration in rotating structures. However, most existing research models use complex modulus approach to model viscoelastic material, and an additional iterative approach which is only available in frequency domain has to be used to include the material's frequency dependency. It is meaningful to model the viscoelastic damping layer in rotating part by using the anelastic displacement fields (ADF) in order to include the frequency dependency in both the time and frequency domain. Also, unlike previous ones, this finite element model treats all three layers as having the both shear and extension strains, so all types of damping are taken into account. Thus, in this work, a single layer finite element is adopted to model a three-layer active constrained layer damped rotating plate in which the constraining layer is made of piezoelectric material to work as both the self-sensing sensor and actuator under an linear quadratic regulation (LQR) controller. After being compared with verified data, this newly proposed finite element model is validated and could be used for future research.

Gate modulation of proton transport in a nanopore.

PubMed

Mei, Lanju; Yeh, Li-Hsien; Qian, Shizhi

2016-03-14

Proton transport in confined spaces plays a crucial role in many biological processes as well as in modern technological applications, such as fuel cells. To achieve active control of proton conductance, we investigate for the first time the gate modulation of proton transport in a pH-regulated nanopore by a multi-ion model. The model takes into account surface protonation/deprotonation reactions, surface curvature, electroosmotic flow, Stern layer, and electric double layer overlap. The proposed model is validated by good agreement with the existing experimental data on nanopore conductance with and without a gate voltage. The results show that the modulation of proton transport in a nanopore depends on the concentration of the background salt and solution pH. Without background salt, the gated nanopore exhibits an interesting ambipolar conductance behavior when pH is close to the isoelectric point of the dielectric pore material, and the net ionic and proton conductance can be actively regulated with a gate voltage as low as 1 V. The higher the background salt concentration, the lower is the performance of the gate control on the proton transport.

Symmetry in the Generalized Rotor Model for Extremely Floppy Molecules

NASA Astrophysics Data System (ADS)

Schmiedt, Hanno; Jensen, Per; Schlemmer, Stephan

2016-06-01

Protonated methane CH_5^+ is unique: It is an extremely fluxional molecule. All attempts to assign quantum numbers to the high-resolution transitions obtained over the last 20 years have failed because molecular rotation and vibration cannot be separated in the conventional way. The first step towards a theoretical description is to include internal rotational degrees of freedom into the overall ones, which can be used to formulate a fundamentally new zero order approximation for the (now) generalized rotational states and energies. Predictions from this simple five-dimensional rotor model compare very favorably with the combination differences of protonated methane found in recent low temperature experiments. This talk will focus on symmetry aspects and implications of permutation symmetry for the generalized rotational states. Furthermore, refinements of the theory will be discussed, ranging from the generalization to even higher-dimensional rotors to explicit symmetry breaking and corresponding energy splittings. The latter includes the link to well-known theories of internal rotation dynamics and will show the general validity of the presented theory. Schmiedt, H., et al.; J. Chem. Phys. 143 (15), 154302 (2015) Wodraszka, R. et al.; J. Phys. Chem. Lett. 6, 4229-4232 (2015) Asvany, O. et al.; Science, 347, (6228), 1346-1349 (2015)

Proton beam deflection in MRI fields: Implications for MRI-guided proton therapy.

PubMed

Oborn, B M; Dowdell, S; Metcalfe, P E; Crozier, S; Mohan, R; Keall, P J

2015-05-01

This paper investigates, via magnetic modeling and Monte Carlo simulation, the ability to deliver proton beams to the treatment zone inside a split-bore MRI-guided proton therapy system. Field maps from a split-bore 1 T MRI-Linac system are used as input to geant4 Monte Carlo simulations which model the trajectory of proton beams during their paths to the isocenter of the treatment area. Both inline (along the MRI bore) and perpendicular (through the split-bore gap) orientations are simulated. Monoenergetic parallel and diverging beams of energy 90, 195, and 300 MeV starting from 1.5 and 5 m above isocenter are modeled. A phase space file detailing a 2D calibration pattern is used to set the particle starting positions, and their spatial location as they cross isocenter is recorded. No beam scattering, collimation, or modulation of the proton beams is modeled. In the inline orientation, the radial symmetry of the solenoidal style fringe field acts to rotate the protons around the beam's central axis. For protons starting at 1.5 m from isocenter, this rotation is 19° (90 MeV) and 9.8° (300 MeV). A minor focusing toward the beam's central axis is also seen, but only significant, i.e., 2 mm shift at 150 mm off-axis, for 90 MeV protons. For the perpendicular orientation, the main MRI field and near fringe field act as the strongest to deflect the protons in a consistent direction. When starting from 1.5 m above isocenter shifts of 135 mm (90 MeV) and 65 mm (300 MeV) were observed. Further to this, off-axis protons are slightly deflected toward or away from the central axis in the direction perpendicular to the main deflection direction. This leads to a distortion of the phase space pattern, not just a shift. This distortion increases from zero at the central axis to 10 mm (90 MeV) and 5 mm (300 MeV) for a proton 150 mm off-axis. In both orientations, there is a small but subtle difference in the deflection and distortion pattern between protons fired parallel to the beam axis and those fired from a point source. This is indicative of the 3D spatially variant nature of the MRI fringe field. For the first time, accurate magnetic and Monte Carlo modeling have been used to assess the transport of generic proton beams toward a 1 T split-bore MRI. Significant rotation is observed in the inline orientation, while more complex deflection and distortion are seen in the perpendicular orientation. The results of this study suggest that due to the complexity and energy-dependent nature of the magnetic deflection and distortion, the pencil beam scanning method will be the only choice for delivering a therapeutic proton beam inside a potential MRI-guided proton therapy system in either the inline or perpendicular orientation. Further to this, significant correction strategies will be required to account for the MRI fringe fields.

Proposed model for the flagellar rotary motor with shear stress transmission

PubMed Central

Mitsui, Toshio; Ohshima, Hiroyuki

2012-01-01

Most bacteria that swim are propelled by flagellar filaments, which are driven by a rotary motor powered by proton flux. The motor consists of the rotor and the stator. The stator consists of about 8 MotA-Mot B complex. There seems to be no definite information about the structure between the rotor and the stator, and it is examined whether the experimental data can be explained based upon the following assumptions. (a) There is viscoelastic medium between the rotor and the stator. (b) MotA-MotB complex has an electric dipole moment and produces shear stress in the electric field by a proton in the channel. Calculation results based upon these assumptions are in good agreement with the following experimental observations. (1) One revolution of the flagellar rotation consists of a constant number of steps. (2) The rotation velocity of the rotor is proportional to the trans-membrane potential difference. (3) When the rotational velocity of a flagellum is changed by adjusting the viscosity of the outer fluid, the torque for the cell to rotate a flagellum is practically constant but sharply decreases when the rotational velocity increases over a critical value. (4) The rotation direction remains the same when the sign of the electrochemical potential gradient is reversed. (5) The cell produces constant torque to rotate the flagellum even when the cell is rotated by externally applied torque. (6) A simple switch mechanism is proposed for chemotaxis. PMID:27493532

Apparatus for sensing patterns of electrical field variations across a surface

DOE Office of Scientific and Technical Information (OSTI.GOV)

Warren, William L.; Devine, Roderick A. B.

An array of nonvolatile field effect transistors used to sense electric potential variations. The transistors owe their nonvolatility to the movement of protons within the oxide layer that occurs only in response to an externally applied electric potential between the gate on one side of the oxide and the source/drain on the other side. The position of the protons within the oxide layer either creates or destroys a conducting channel in the adjacent source/channel/drain layer below it, the current in the channel being measured as the state of the nonvolatile memory. The protons can also be moved by potentials createdmore » by other instrumentalities, such as charges on fingerprints or styluses above the gates, pressure on a piezoelectric layer above the gates, light shining upon a photoconductive layer above the gates. The invention allows sensing of fingerprints, handwriting, and optical images, which are converted into digitized images thereof in a nonvolatile format.« less

Proton transfer in malonaldehyde: From reaction path to Schrödinger's Cat

NASA Astrophysics Data System (ADS)

Fillaux, François; Nicolaï, Béatrice

2005-11-01

Proton transfer in the chelated form of malonaldehyde is commonly supposed to occur between two tautomers, across a transition state involving changes of the chemical bonding. We show that this view is in conflict with rotational spectra. The molecule is better thought of as a superposition of indistinguishable and non-separable C s tautomers and proton tunneling is totally decoupled from the other degrees of freedom. Double minimum potential functions are determined from experiments and ab initio calculations.

Proton trapping in SiO 2 layers thermally grown on Si and SiC

NASA Astrophysics Data System (ADS)

Afanas'ev, V. V.; Ciobanu, F.; Pensl, G.; Stesmans, A.

2002-11-01

Positive charging of thermal SiO 2 layers on (1 0 0)Si and (0 0 0 1)6H-, 4H-SiC related to trapping of protons is studied using low-energy proton implantation into the oxide, and compared to the trapping of holes generated by 10-eV photons. Proton trapping has an initial probability close to 100% and shows little sensitivity to the annealing-induced oxygen deficiency of SiO 2. In contrast to protons, hole trapping in as-grown SiO 2 shows a much lower efficiency which increases upon oxide annealing, in qualitative correlation with the higher density of O 3Si• defects (E' centers) detected by electron spin resonance after hole injection. Despite these differences, the neutralization of positive charges induced by holes and protons has the same cross-section, and in both cases is accompanied by liberation of atomic H suggesting that protons account for positive charge in both cases. The rupture of Si-O bonds in the oxide observed upon proton injection suggests, as a first basic step, the bonding of a proton to a bridging oxygen atom in SiO 2 network.

The resolved layer of a collisionless, high beta, supercritical, quasi-perpendicular shock wave. I - Rankine-Hugoniot geometry, currents, and stationarity

NASA Technical Reports Server (NTRS)

Scudder, J. D.; Aggson, T. L.; Mangeney, A.; Lacombe, C.; Harvey, C. C.

1986-01-01

Data collected by the ISEE dual-spacecraft mission (on November 7, 1977) on a slowly moving, supercritical, high-beta, quasi-perpendicular bow shock are presented, and the local geometry, spatial scales, and stationarity of this shock wave are assessed in a self-consistent Rankine-Hugoniot-constrained frame of reference. Included are spatial profiles of the ac and dc magnetic and electric fields, electron and proton fluid velocities, current densities, electron and proton number densities, temperatures, pressures, and partial densities of the reflected protons. The observed layer profile is shown to be nearly phase standing and one-dimensional in a Rankine-Hugoniot frame, empirically determined by the magnetofluid parameters outside the layer proper.

Measurements of proton energy spectra using a radiochromic film stack

NASA Astrophysics Data System (ADS)

Filkins, T. M.; Steidle, Jessica; Ellison, D. M.; Steidle, Jeffrey; Freeman, C. G.; Padalino, S. J.; Fiksel, G.; Regan, S. P.; Sangster, T. C.

2014-10-01

The energy spectrum of protons accelerated from the rear-side of a thin foil illuminated with ultra-intense laser light from the OMEGA EP laser system at the University of Rochester's Laboratory for Laser Energetics (LLE) was measured using a stack of radiochromic film (RCF). The film stack consisted of four layers of Gafchromic HD-V2 film and four layers of Gafchromic MD-V2-55 film. Aluminum foils of various thicknesses were placed between each piece of RCF in the stack. This arrangement allowed protons with energies of 30 MeV to reach the back layer of RCF in the stack. The stack was placed in the detector plane of a Thomson parabola ion energy (TPIE) spectrometer. Each piece of film in the stack was scanned using a commercially available flat-bed scanner (Epson 10000XL). The resulting optical density was converted into proton fluence using an absolute calibration of the RCF obtained at the SUNY Geneseo 1.7 MV Pelletron accelerator laboratory. In these calibration measurements, the sensitivity of the radiochromic film was measured using monoenergetic protons produced by the accelerator. Details of the analysis procedure and the resulting proton energy spectra will be presented. Funded in part by a grant from the DOE through the Laboratory for Laser Energetics.

WE-EF-303-10: Single- Detector Proton Radiography as a Portal Imaging Equivalent for Proton Therapy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Doolan, P; Bentefour, E; Testa, M

2015-06-15

Purpose: In proton therapy, patient alignment is of critical importance due to the sensitivity of the proton range to tissue heterogeneities. Traditionally proton radiography is used for verification of the water-equivalent path length (WEPL), which dictates the depth protons reach. In this work we propose its use for alignment. Additionally, many new proton centers have cone-beam computed tomography in place of beamline X-ray imaging and so proton radiography offers a unique patient alignment verification similar to portal imaging in photon therapy. Method: Proton radiographs of a CIRS head phantom were acquired using the Beam Imaging System (BIS) (IBA, Louvain-la-Neuve) inmore » a horizontal beamline. A scattered beam was produced using a small, dedicated, range modulator (RM) wheel fabricated out of aluminum. The RM wheel was rotated slowly (20 sec/rev) using a stepper motor to compensate for the frame rate of the BIS (120 ms). Dose rate functions (DRFs) over two RM wheel rotations were acquired. Calibration was made with known thicknesses of homogeneous solid water. For each pixel the time width, skewness and kurtosis of the DRFs were computed. The time width was used to compute the object WEPL. In the heterogeneous phantom, the excess skewness and excess kurtosis (i.e. difference from homogeneous cases) were computed and assessed for suitability for patient set up. Results: The technique allowed for the simultaneous production of images that can be used for WEPL verification, showing few internal details, and excess skewness and kurtosis images that can be used for soft tissue alignment. These latter images highlight areas where range mixing has occurred, correlating with phantom heterogeneities. Conclusion: The excess skewness and kurtosis images contain details that are not visible in the WET images. These images, unique to the time-resolved proton radiographic method, could be used for patient set up according to soft tissues.« less

Maximum proton kinetic energy and patient-generated neutron fluence considerations in proton beam arc delivery radiation therapy.

PubMed

Sengbusch, E; Pérez-Andújar, A; DeLuca, P M; Mackie, T R

2009-02-01

Several compact proton accelerator systems for use in proton therapy have recently been proposed. Of paramount importance to the development of such an accelerator system is the maximum kinetic energy of protons, immediately prior to entry into the patient, that must be reached by the treatment system. The commonly used value for the maximum kinetic energy required for a medical proton accelerator is 250 MeV, but it has not been demonstrated that this energy is indeed necessary to treat all or most patients eligible for proton therapy. This article quantifies the maximum kinetic energy of protons, immediately prior to entry into the patient, necessary to treat a given percentage of patients with rotational proton therapy, and examines the impact of this energy threshold on the cost and feasibility of a compact, gantry-mounted proton accelerator treatment system. One hundred randomized treatment plans from patients treated with IMRT were analyzed. The maximum radiological pathlength from the surface of the patient to the distal edge of the treatment volume was obtained for 180 degrees continuous arc proton therapy and for 180 degrees split arc proton therapy (two 90 degrees arcs) using CT# profiles from the Pinnacle (Philips Medical Systems, Madison, WI) treatment planning system. In each case, the maximum kinetic energy of protons, immediately prior to entry into the patient, that would be necessary to treat the patient was calculated using proton range tables for various media. In addition, Monte Carlo simulations were performed to quantify neutron production in a water phantom representing a patient as a function of the maximum proton kinetic energy achievable by a proton treatment system. Protons with a kinetic energy of 240 MeV, immediately prior to entry into the patient, were needed to treat 100% of patients in this study. However, it was shown that 90% of patients could be treated at 198 MeV, and 95% of patients could be treated at 207 MeV. Decreasing the proton kinetic energy from 250 to 200 MeV decreases the total neutron energy fluence produced by stopping a monoenergetic pencil beam in a water phantom by a factor of 2.3. It is possible to significantly lower the requirements on the maximum kinetic energy of a compact proton accelerator if the ability to treat a small percentage of patients with rotational therapy is sacrificed. This decrease in maximum kinetic energy, along with the corresponding decrease in neutron production, could lower the cost and ease the engineering constraints on a compact proton accelerator treatment facility.

Spin Rotation of Formalism for Spin Tracking

DOE Office of Scientific and Technical Information (OSTI.GOV)

Luccio,A.

The problem of which coefficients are adequate to correctly represent the spin rotation in vector spin tracking for polarized proton and deuteron beams in synchrotrons is here re-examined in the light of recent discussions. The main aim of this note is to show where some previous erroneous results originated and how to code spin rotation in a tracking code. Some analysis of a recent experiment is presented that confirm the correctness of the assumptions.

From nanochannel-induced proton conduction enhancement to a nanochannel-based fuel cell.

PubMed

Liu, Shaorong; Pu, Qiaosheng; Gao, Lin; Korzeniewski, Carol; Matzke, Carolyn

2005-07-01

The apparent proton conductivity inside a nanochannel can be enhanced by orders of magnitude due to the electric double layer overlap. A nanochannel filled with an acidic solution is thus a micro super proton conductor, and an array of such nanochannels forms an excellent proton conductive membrane. Taking advantage of this effect, a new class of proton exchange membrane is developed for micro fuel cell applications.

Optical potentials for nuclear level structures and nucleon interactions data of tin isotopes based on the soft-rotator model

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, Jeong-Yeon; Hahn, Insik; Kim, Yeongduk

2009-06-15

The soft-rotator model is applied to self-consistent analyses of the nuclear level structures and the nucleon interaction data of the even-even Sn isotopes, {sup 116}Sn, {sup 118}Sn, {sup 120}Sn, and {sup 122}Sn. The model successfully describes low-lying collective levels of these isotopes, which exhibit neither typical rotational nor harmonic vibrational structures. The experimental nucleon interaction data--total neutron cross sections, proton reaction cross sections, and nucleon elastic and inelastic scattering data--are well described up to 200 MeV in a coupled-channels optical model approach. For the calculations, nuclear wave functions for the Sn isotopes are taken from the nonaxial soft-rotator model withmore » the model parameters adjusted to fit the measured low-lying collective level structures. We find that the {beta}{sub 2} and {beta}{sub 3} deformations for incident protons are larger than those for incident neutrons by {approx}15%, which is clear evidence of the deviation from the pure collective model for these isotopes.« less

Rotation of Guanine Amino Groups in G-Quadruplexes: A Probe for Local Structure and Ligand Binding.

PubMed

Adrian, Michael; Winnerdy, Fernaldo Richtia; Heddi, Brahim; Phan, Anh Tuân

2017-08-22

Nucleic acids are dynamic molecules whose functions may depend on their conformational fluctuations and local motions. In particular, amino groups are dynamic components of nucleic acids that participate in the formation of various secondary structures such as G-quadruplexes. Here, we present a cost-efficient NMR method to quantify the rotational dynamics of guanine amino groups in G-quadruplex nucleic acids. An isolated spectrum of amino protons from a specific tetrad-bound guanine can be extracted from the nuclear Overhauser effect spectroscopy spectrum based on the close proximity between the intra-residue imino and amino protons. We apply the method in different structural contexts of G-quadruplexes and their complexes. Our results highlight the role of stacking and hydrogen-bond interactions in restraining amino-group rotation. The measurement of the rotation rate of individual amino groups could give insight into the dynamic processes occurring at specific locations within G-quadruplex nucleic acids, providing valuable probes for local structure, dynamics, and ligand binding. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

Shortening Delivery Times of Intensity Modulated Proton Therapy by Reducing Proton Energy Layers During Treatment Plan Optimization

DOE Office of Scientific and Technical Information (OSTI.GOV)

Water, Steven van de, E-mail: s.vandewater@erasmusmc.nl; Kooy, Hanne M.; Heijmen, Ben J.M.

2015-06-01

Purpose: To shorten delivery times of intensity modulated proton therapy by reducing the number of energy layers in the treatment plan. Methods and Materials: We have developed an energy layer reduction method, which was implemented into our in-house-developed multicriteria treatment planning system “Erasmus-iCycle.” The method consisted of 2 components: (1) minimizing the logarithm of the total spot weight per energy layer; and (2) iteratively excluding low-weighted energy layers. The method was benchmarked by comparing a robust “time-efficient plan” (with energy layer reduction) with a robust “standard clinical plan” (without energy layer reduction) for 5 oropharyngeal cases and 5 prostate cases.more » Both plans of each patient had equal robust plan quality, because the worst-case dose parameters of the standard clinical plan were used as dose constraints for the time-efficient plan. Worst-case robust optimization was performed, accounting for setup errors of 3 mm and range errors of 3% + 1 mm. We evaluated the number of energy layers and the expected delivery time per fraction, assuming 30 seconds per beam direction, 10 ms per spot, and 400 Giga-protons per minute. The energy switching time was varied from 0.1 to 5 seconds. Results: The number of energy layers was on average reduced by 45% (range, 30%-56%) for the oropharyngeal cases and by 28% (range, 25%-32%) for the prostate cases. When assuming 1, 2, or 5 seconds energy switching time, the average delivery time was shortened from 3.9 to 3.0 minutes (25%), 6.0 to 4.2 minutes (32%), or 12.3 to 7.7 minutes (38%) for the oropharyngeal cases, and from 3.4 to 2.9 minutes (16%), 5.2 to 4.2 minutes (20%), or 10.6 to 8.0 minutes (24%) for the prostate cases. Conclusions: Delivery times of intensity modulated proton therapy can be reduced substantially without compromising robust plan quality. Shorter delivery times are likely to reduce treatment uncertainties and costs.« less

An isocenter estimation tool for proton gantry alignment

NASA Astrophysics Data System (ADS)

Hansen, Peter; Hu, Dongming

2017-12-01

A novel tool has been developed to automate the process of locating the isocenter, center of rotation, and sphere of confusion of a proton therapy gantry. The tool uses a Radian laser tracker to estimate how the coordinate frame of the front-end beam-line components changes as the gantry rotates. The coordinate frames serve as an empirical model of gantry flexing. Using this model, the alignment of the front and back-end beam-line components can be chosen to minimize the sphere of confusion, improving the overall beam positioning accuracy of the gantry. This alignment can be performed without the beam active, improving the efficiency of installing new systems at customer sites.

Atomic model for the membrane-embedded VO motor of a eukaryotic V-ATPase.

PubMed

Mazhab-Jafari, Mohammad T; Rohou, Alexis; Schmidt, Carla; Bueler, Stephanie A; Benlekbir, Samir; Robinson, Carol V; Rubinstein, John L

2016-11-03

Vacuolar-type ATPases (V-ATPases) are ATP-powered proton pumps involved in processes such as endocytosis, lysosomal degradation, secondary transport, TOR signalling, and osteoclast and kidney function. ATP hydrolysis in the soluble catalytic V 1 region drives proton translocation through the membrane-embedded V O region via rotation of a rotor subcomplex. Variability in the structure of the intact enzyme has prevented construction of an atomic model for the membrane-embedded motor of any rotary ATPase. We induced dissociation and auto-inhibition of the V 1 and V O regions of the V-ATPase by starving the yeast Saccharomyces cerevisiae, allowing us to obtain a ~3.9-Å resolution electron cryomicroscopy map of the V O complex and build atomic models for the majority of its subunits. The analysis reveals the structures of subunits ac 8 c'c″de and a protein that we identify and propose to be a new subunit (subunit f). A large cavity between subunit a and the c-ring creates a cytoplasmic half-channel for protons. The c-ring has an asymmetric distribution of proton-carrying Glu residues, with the Glu residue of subunit c″ interacting with Arg735 of subunit a. The structure suggests sequential protonation and deprotonation of the c-ring, with ATP-hydrolysis-driven rotation causing protonation of a Glu residue at the cytoplasmic half-channel and subsequent deprotonation of a Glu residue at a luminal half-channel.

The influence of the local structure on proton transport in a solid oxide proton conductor La 0.8 Ba 1.2 GaO 3.9

DOE PAGES

Cheng, Yongqiang; Balachandran, Janakiraman; Bi, Zhonghe; ...

2017-07-18

The local structure around the mobile ions influences their dynamics. The knowledge about the relationship between these properties is of fundamental importance and may lead the way for development of improved solid state ionic conductors. Here, we use inelastic neutron scattering and ab initio modeling to study a representative proton conductor, La 0.8Ba 1.2GaO 3.9, where different local structures are possible for the same stoichiometry. The intrinsic correlations between the local bonding environment and the dynamical behavior of protons are presented. In particular, we identify how the local Ba/La concentration affects the proton vibrational frequencies, hydrogen bond strength, O–H rotationsmore » and in turn long-range proton mobility. Furthermore, possible mechanism for proton transport, through the inter-tetrahedral bond switching, O–H rotations and tetrahedral reorientation is anticipated.« less

NMR Observation of Mobile Protons in Proton-Implanted ZnO Nanorods

PubMed Central

Park, Jun Kue; Kwon, Hyeok-Jung; Lee, Cheol Eui

2016-01-01

The diffusion properties of H+ in ZnO nanorods are investigated before and after 20 MeV proton beam irradiation by using 1H nuclear magnetic resonance (NMR) spectroscopy. Herein, we unambiguously observe that the implanted protons occupy thermally unstable site of ZnO, giving rise to a narrow NMR line at 4.1 ppm. The activation barrier of the implanted protons was found to be 0.46 eV by means of the rotating-frame spin-lattice relaxation measurements, apparently being interstitial hydrogens. High-energy beam irradiation also leads to correlated jump diffusion of the surface hydroxyl group of multiple lines at ~1 ppm, implying the presence of structural disorder at the ZnO surface. PMID:26988733

Solute boundary layer on a rotating crystal

NASA Astrophysics Data System (ADS)

Povinelli, Michelle L.; Korpela, Seppo A.; Chait, Arnon

1994-11-01

A perturbation analysis has been carried out for the solutal boundary layer next to a rotating crystal. Our aim is to extend the classical results of Burton, Prim and Slicher [1] in order to obtain higher order terms in asymptotic expansions for the concentration field and boundary-layer thickness. Expressions for the effective segregation coefficient are directly obtained from the concentration solution in the two limits that correspond to weak and strong rotation.

Enhanced Faraday rotation in one dimensional magneto-plasmonic structure due to Fano resonance

NASA Astrophysics Data System (ADS)

Sadeghi, S.; Hamidi, S. M.

2018-04-01

Enhanced Faraday rotation in a new type of magneto-plasmonic structure with the capability of Fano resonance, has been reported theoretically. A magneto-plasmonic structure composed of a gold corrugated layer deposited on a magneto-optically active layer was studied by means of Lumerical software based on finite-difference time-domain. In our proposed structure, plasmonic Fano resonance and localized surface plasmon have induced enhancement in magneto-optical Faraday rotation. It is shown that the influence of geometrical parameters in gold layer offers a desirable platform for engineering spectral position of Fano resonance and enhancement of Faraday rotation.

Design of Conduction-cooled HTS Coils for a Rotating Gantry

NASA Astrophysics Data System (ADS)

Takayama, Shigeki; Koyanagi, Kei; Yamaguchi, Akiko; Tasaki, Kenji; Kurusu, Tsutomu; Ishii, Yusuke; Amemiya, Naoyuki; Ogitsu, Toru; Noda, Koji

Carbon ion cancer therapy is becoming more widespread due to its high curative effects and low burden on patients. Carbon ions are delivered to patients through electromagnets on a rotating gantry.A rotating gantry is attractive because it allows carbon ions to irradiate a tumor from any direction without changing the posture of the patient. On the other hand, because of the high magnetic rigidity of carbon ions, the weight of a rotating gantry for carbon cancer therapy is about three times higher than one for proton cancer therapy, according to our estimation. The use of high-temperature superconducting (HTS) magnets has been considered for reducing the size of the rotating gantry for carbon cancer therapy. The target weight is 200 t or less,which is equivalent to the weight of a typical rotating gantry for proton cancer therapy.In this study, the magnet layout of the rotating gantry and the superconducting magnets were designed from the viewpoint of beam optics.When applying high-temperature superconductors to accelerator magnets, there are some issues that should be considered, for example, the influence of tape magnetization and manufacturing accuracy on the field quality, the thermal stability of the conduction-cooled HTS coils under an alternating magnetic field, and methods to protect the coils from thermal runaway caused by an anomalous thermal input such as that due to beam loss. First, the thermal stability of the conduction-cooled HTS coils was simulated numerically, and the thermal runaway current was calculated in a static situation.

Fourier transform millimeter-wave spectroscopy of the ethyl radical in the electronic ground state.

PubMed

Kim, Eunsook; Yamamoto, Satoshi

2004-02-15

The pure rotational spectrum of the ethyl radical (C2H5) has been detected for the first time with the Fourier transform millimeter-wave spectrometer. The ethyl radical is produced by discharging the C2H5I gas diluted in Ar. The 1(01)-0(00) rotational transition of the ethyl radical is observed in the frequency range from 43,680 to 43,780 MHz. The observed spectrum shows a very complicated pattern of the fine and hyperfine structures of a doublet radical with the nuclear spins of five protons. The fine and hyperfine components are assigned with the aid of measurements of the Zeeman splittings. As a result, the 22 lines are ascribed to the transitions in the ground vibronic state (A2"). The rotational constant, the spin-rotation interaction constant, and hyperfine interaction constants are determined by the least-squares fit. The Fermi contact term of the alpha-proton is determined to be -64.1654 MHz in the gas phase, indicating that the structure of the -CH2 is essentially planar. The present rotational spectroscopic study further supports that the methyl group of the ethyl radical can be regarded as a nearly free internal rotor with a low energy barrier. A few unassigned lines still remain, which may be vibrational satellites of the internal rotation mode. Copyright 2004 American Institute of Physics

Organic/inorganic hybrid synaptic transistors gated by proton conducting methylcellulose films

NASA Astrophysics Data System (ADS)

Wan, Chang Jin; Zhu, Li Qiang; Wan, Xiang; Shi, Yi; Wan, Qing

2016-01-01

The idea of building a brain-inspired cognitive system has been around for several decades. Recently, electric-double-layer transistors gated by ion conducting electrolytes were reported as the promising candidates for synaptic electronics and neuromorphic system. In this letter, indium-zinc-oxide transistors gated by proton conducting methylcellulose electrolyte films were experimentally demonstrated with synaptic plasticity including paired-pulse facilitation and spatiotemporal-correlated dynamic logic. More importantly, a model based on proton-related electric-double-layer modulation and stretched-exponential decay function was proposed, and the theoretical results are in good agreement with the experimentally measured synaptic behaviors.

Organic/inorganic hybrid synaptic transistors gated by proton conducting methylcellulose films

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Chang Jin; Wan, Qing, E-mail: wanqing@nju.edu.cn, E-mail: yshi@nju.edu.cn; Ningbo Institute of Material Technology and Engineering, Chinese Academy of Sciences, Ningbo 315201

The idea of building a brain-inspired cognitive system has been around for several decades. Recently, electric-double-layer transistors gated by ion conducting electrolytes were reported as the promising candidates for synaptic electronics and neuromorphic system. In this letter, indium-zinc-oxide transistors gated by proton conducting methylcellulose electrolyte films were experimentally demonstrated with synaptic plasticity including paired-pulse facilitation and spatiotemporal-correlated dynamic logic. More importantly, a model based on proton-related electric-double-layer modulation and stretched-exponential decay function was proposed, and the theoretical results are in good agreement with the experimentally measured synaptic behaviors.

The Phylogenetic Signature Underlying ATP Synthase c-Ring Compliance

DOE PAGES

Pandini, Alessandro; Kleinjung, Jens; Taylor, Willie R.; ...

2015-09-01

The proton-driven ATP synthase (F OF 1) is comprised of two rotary, stepping motors (F O and F 1) coupled by an elastic power transmission. The elastic compliance resides in the rotor module that includes the membrane-embedded FO c-ring. Proton transport by FO is firmly coupled to the rotation of the c-ring relative to other F O subunits (ab 2). It drives ATP synthesis. We used a computational method to investigate the contribution of the c-ring to the total elastic compliance. We performed principal component analysis of conformational ensembles built using distance constraints from the bovine mitochondrial c-ring x-ray structure.more » Angular rotary twist, the dominant ring motion, was estimated to show that the c-ring accounted in part for the measured compliance. Ring rotation was entrained to rotation of the external helix within each hairpin-shaped c-subunit in the ring. Ensembles of monomer and dimers extracted from complete c-rings showed that the coupling between collective ring and the individual subunit motions was independent of the size of the c-ring, which varies between organisms. Molecular determinants were identified by covariance analysis of residue coevolution and structural-alphabet-based local dynamics correlations. The residue coevolution gave a readout of subunit architecture. The dynamic couplings revealed that the hinge for both ring and subunit helix rotations was constructed from the proton-binding site and the adjacent glycine motif (IB-GGGG) in the midmembrane plane. IB-GGGG motifs were linked by long-range couplings across the ring, while intrasubunit couplings connected the motif to the conserved cytoplasmic loop and adjacent segments. The correlation with principal collective motions shows that the couplings underlie both ring rotary and bending motions. Noncontact couplings between IB-GGGG motifs matched the coevolution signal as well as contact couplings. The residue coevolution reflects the physiological importance of the dynamics that may link proton transfer to ring compliance.« less

The Phylogenetic Signature Underlying ATP Synthase c-Ring Compliance

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pandini, Alessandro; Kleinjung, Jens; Taylor, Willie R.

The proton-driven ATP synthase (F OF 1) is comprised of two rotary, stepping motors (F O and F 1) coupled by an elastic power transmission. The elastic compliance resides in the rotor module that includes the membrane-embedded FO c-ring. Proton transport by FO is firmly coupled to the rotation of the c-ring relative to other F O subunits (ab 2). It drives ATP synthesis. We used a computational method to investigate the contribution of the c-ring to the total elastic compliance. We performed principal component analysis of conformational ensembles built using distance constraints from the bovine mitochondrial c-ring x-ray structure.more » Angular rotary twist, the dominant ring motion, was estimated to show that the c-ring accounted in part for the measured compliance. Ring rotation was entrained to rotation of the external helix within each hairpin-shaped c-subunit in the ring. Ensembles of monomer and dimers extracted from complete c-rings showed that the coupling between collective ring and the individual subunit motions was independent of the size of the c-ring, which varies between organisms. Molecular determinants were identified by covariance analysis of residue coevolution and structural-alphabet-based local dynamics correlations. The residue coevolution gave a readout of subunit architecture. The dynamic couplings revealed that the hinge for both ring and subunit helix rotations was constructed from the proton-binding site and the adjacent glycine motif (IB-GGGG) in the midmembrane plane. IB-GGGG motifs were linked by long-range couplings across the ring, while intrasubunit couplings connected the motif to the conserved cytoplasmic loop and adjacent segments. The correlation with principal collective motions shows that the couplings underlie both ring rotary and bending motions. Noncontact couplings between IB-GGGG motifs matched the coevolution signal as well as contact couplings. The residue coevolution reflects the physiological importance of the dynamics that may link proton transfer to ring compliance.« less

Proton-counting radiography for proton therapy: a proof of principle using CMOS APS technology

NASA Astrophysics Data System (ADS)

Poludniowski, G.; Allinson, N. M.; Anaxagoras, T.; Esposito, M.; Green, S.; Manolopoulos, S.; Nieto-Camero, J.; Parker, D. J.; Price, T.; Evans, P. M.

2014-06-01

Despite the early recognition of the potential of proton imaging to assist proton therapy (Cormack 1963 J. Appl. Phys. 34 2722), the modality is still removed from clinical practice, with various approaches in development. For proton-counting radiography applications such as computed tomography (CT), the water-equivalent-path-length that each proton has travelled through an imaged object must be inferred. Typically, scintillator-based technology has been used in various energy/range telescope designs. Here we propose a very different alternative of using radiation-hard CMOS active pixel sensor technology. The ability of such a sensor to resolve the passage of individual protons in a therapy beam has not been previously shown. Here, such capability is demonstrated using a 36 MeV cyclotron beam (University of Birmingham Cyclotron, Birmingham, UK) and a 200 MeV clinical radiotherapy beam (iThemba LABS, Cape Town, SA). The feasibility of tracking individual protons through multiple CMOS layers is also demonstrated using a two-layer stack of sensors. The chief advantages of this solution are the spatial discrimination of events intrinsic to pixelated sensors, combined with the potential provision of information on both the range and residual energy of a proton. The challenges in developing a practical system are discussed.

Proton-counting radiography for proton therapy: a proof of principle using CMOS APS technology

PubMed Central

Poludniowski, G; Allinson, N M; Anaxagoras, T; Esposito, M; Green, S; Manolopoulos, S; Nieto-Camero, J; Parker, D J; Price, T; Evans, P M

2014-01-01

Despite the early recognition of the potential of proton imaging to assist proton therapy the modality is still removed from clinical practice, with various approaches in development. For proton-counting radiography applications such as Computed Tomography (CT), the Water-Equivalent-Path-Length (WEPL) that each proton has travelled through an imaged object must be inferred. Typically, scintillator-based technology has been used in various energy/range telescope designs. Here we propose a very different alternative of using radiation-hard CMOS Active Pixel Sensor (APS) technology. The ability of such a sensor to resolve the passage of individual protons in a therapy beam has not been previously shown. Here, such capability is demonstrated using a 36 MeV cyclotron beam (University of Birmingham Cyclotron, Birmingham, UK) and a 200 MeV clinical radiotherapy beam (iThemba LABS, Cape Town, SA). The feasibility of tracking individual protons through multiple CMOS layers is also demonstrated using a two-layer stack of sensors. The chief advantages of this solution are the spatial discrimination of events intrinsic to pixelated sensors, combined with the potential provision of information on both the range and residual energy of a proton. The challenges in developing a practical system are discussed. PMID:24785680

Characteristic Features of Double Layers in Rotating, Magnetized Plasma Contaminated with Dust Grains with Varying Charges

NASA Astrophysics Data System (ADS)

Paul, Jaydeep; Nag, Apratim; Devi, Karabi; Das, Himadri Sekhar

2018-03-01

The evolution and the characteristic features of double layers in a plasma under slow rotation and contaminated with dust grains with varying charges under the effect of an external magnetic field are studied. The Coriolis force resulting from the slow rotation is responsible for the generation of an equivalent magnetic field. A comparatively new pseudopotential approach has been used to derive the small amplitude double layers. The effect of the relative electron-ion concentration, as well as the temperature ratio, on the formation of the double layers has also been investigated. The study reveals that compressive, as well as rarefactive, double layers can be made to co-exist in plasma by controlling the dust charge fluctuation effect supplemented by variations of the plasma constituents. The effectiveness of slow rotation in causing double layers to exist has also emanated from the study. The results obtained could be of interest because of their possible applications in both laboratories and space.

Modeling the Conducting Stably-Stratified Layer of the Earth's Core

NASA Astrophysics Data System (ADS)

Petitdemange, L.; Philidet, J.; Gissinger, C.

2017-12-01

Observations of the Earth magnetic field as well as recent theoretical works tend to show that the Earth's outer liquid core is mostly comprised of a convective zone in which the Earth's magnetic field is generated - likely by dynamo action -, but also features a thin, stably stratified layer at the top of the core.We carry out direct numerical simulations by modeling this thin layer as an axisymmetric spherical Couette flow for a stably stratified fluid embedded in a dipolar magnetic field. The dynamo region is modeled by a conducting inner core rotating slightly faster than the insulating mantle due to magnetic torques acting on it, such that a weak differential rotation (low Rossby limit) can develop in the stably stratified layer.In the case of a non-stratified fluid, the combined action of the differential rotation and the magnetic field leads to the well known regime of `super-rotation', in which the fluid rotates faster than the inner core. Whereas in the classical case, this super-rotation is known to vanish in the magnetostrophic limit, we show here that the fluid stratification significantly extends the magnitude of the super-rotation, keeping this phenomenon relevant for the Earth core. Finally, we study how the shear layers generated by this new state might give birth to magnetohydrodynamic instabilities or waves impacting the secular variations or jerks of the Earth's magnetic field.

Calculations of the displacement damage and short-circuit current degradation in proton irradiated (AlGa)As-GaAs solar cells

NASA Technical Reports Server (NTRS)

Yeh, C. S.; Li, S. S.; Loo, R. Y.

1987-01-01

A theoretical model for computing the displacement damage defect density and the short-circuit current (I sub sc) degradation in proton-irradiated (AlGa)As-GaAs p-n junction solar cells is presented. Assumptions were made with justification that the radiation induced displacement defects form an effective recombination center which controls the electron and hole lifetimes in the junction space charge region and in the n-GaAs active layer of the irradiated GaAs p-n junction cells. The degradation of I sub sc in the (AlGa)As layer was found to be negligible compared to the total degradation. In order to determine the I sub sc degradation, the displacement defect density, path length, range, reduced energy after penetrating a distance x, and the average number of displacements formed by one proton scattering event were first calculated. The I sub sc degradation was calculated by using the electron capture cross section in the p-diffused layer and the hole capture cross section in the n-base layer as well as the wavelength dependent absorption coefficients. Excellent agreement was found between the researchers calculated values and the measured I sub sc in the proton irradiated GaAs solar cells for proton energies of 100 KeV to 10 MeV and fluences from 10 to the 10th power p/square cm to 10 to the 12th power p/square cm.

Optimization of rotational speed for growing BaFe12O19 thin films using spin coating

NASA Astrophysics Data System (ADS)

Budiawanti, S.; Soegijono, B.; Mudzakir, I.; Suharno, Fadillah, L.

2017-07-01

Barium ferrite (BaFe12O19, BaM) thin films were fabricated by the spin coating of precursors obtained by using a sol-gel method. The effects of the rotational speed on the spin-coating process for growing a BaM thin film were investigated in this study. Coated films were heat-deposited at different rotational speeds ranging from 2000 to 4000 rpm, while the number of layers was set to nine. Further, the effect of the number of layers on the growth of BaM thin films was discussed. For this purpose, we take the layers number 1 to 12 and take the constant rotational speed of 3000 rpm. All the film were characterized using X-Ray diffraction, Scanning Electron microscope, and Energy-dispersive X-Ray spectroscopy and Vibrating Sample Magnetometer. It was found that by increasing the rotational speed the amount of material deposited on the Si substrate decreased. The measured grain size of the BaM thin film was nearly similar for three three different rotational speeds. However, the grain size was found to increase the number of layers.

ORBITING CLUSTERS IN ATOMIC NUCLEI

PubMed Central

Pauling, Linus

1969-01-01

As an alternative to their description as vibrational levels, the low excited states of even-even nuclei can be described as rotational states of a helion, dineutron, diproton, or other cluster about the rest of the nucleus, leading to reasonable values of the average distance between centers of the clusters. Some states involve rotational excitation of two or more helions or other clusters. The nature of the rotating clusters is determined by the relation of the neutron and proton numbers to the magic numbers. PMID:16591799

DOE Office of Scientific and Technical Information (OSTI.GOV)

Cheng, Yongqiang; Balachandran, Janakiraman; Bi, Zhonghe

The local structure around the mobile ions influences their dynamics. The knowledge about the relationship between these properties is of fundamental importance and may lead the way for development of improved solid state ionic conductors. Here, we use inelastic neutron scattering and ab initio modeling to study a representative proton conductor, La 0.8Ba 1.2GaO 3.9, where different local structures are possible for the same stoichiometry. The intrinsic correlations between the local bonding environment and the dynamical behavior of protons are presented. In particular, we identify how the local Ba/La concentration affects the proton vibrational frequencies, hydrogen bond strength, O–H rotationsmore » and in turn long-range proton mobility. Furthermore, possible mechanism for proton transport, through the inter-tetrahedral bond switching, O–H rotations and tetrahedral reorientation is anticipated.« less

Phase Rotation of Muon Beams for Producing Intense Low-Energy Muon Beams

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neuffer, D.; Bao, Y.; Hansen, G.

2016-01-01

Low-energy muon beams are useful for rare decay searches, which provide access to new physics that cannot be addressed at high-energy colliders. However, muons are produced within a broad energy spread unmatched to the low-energy required. In this paper we outline a phase rotation method to significantly increase the intensity of low-energy muons. The muons are produced from a short pulsed proton driver, and develop a time-momentum correlation in a drift space following production. A series of rf cavities is used to bunch the muons and phase-energy rotate the bunches to a momentum of around 100 MeV/c. Then another groupmore » of rf cavities is used to decelerate the muon bunches to low-energy. This obtains ~0.1 muon per 8 GeV proton, which is significantly higher than currently planned Mu2e experiments, and would enable a next generation of rare decay searches, and other intense muon beam applications.« less

A dynamic collimation system for penumbra reduction in spot-scanning proton therapy: Proof of concept

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hyer, Daniel E., E-mail: daniel-hyer@uiowa.edu; Hill, Patrick M.; Wang, Dongxu

2014-09-15

Purpose: In the absence of a collimation system the lateral penumbra of spot scanning (SS) dose distributions delivered by low energy proton beams is highly dependent on the spot size. For current commercial equipment, spot size increases with decreasing proton energy thereby reducing the benefit of the SS technique. This paper presents a dynamic collimation system (DCS) for sharpening the lateral penumbra of proton therapy dose distributions delivered by SS. Methods: The collimation system presented here exploits the property that a proton pencil beam used for SS requires collimation only when it is near the target edge, enabling the usemore » of trimmers that are in motion at times when the pencil beam is away from the target edge. The device consists of two pairs of parallel nickel trimmer blades of 2 cm thickness and dimensions of 2 cm × 18 cm in the beam's eye view. The two pairs of trimmer blades are rotated 90° relative to each other to form a rectangular shape. Each trimmer blade is capable of rapid motion in the direction perpendicular to the central beam axis by means of a linear motor, with maximum velocity and acceleration of 2.5 m/s and 19.6 m/s{sup 2}, respectively. The blades travel on curved tracks to match the divergence of the proton source. An algorithm for selecting blade positions is developed to minimize the dose delivered outside of the target, and treatment plans are created both with and without the DCS. Results: The snout of the DCS has outer dimensions of 22.6 × 22.6 cm{sup 2} and is capable of delivering a minimum treatment field size of 15 × 15 cm{sup 2}. Using currently available components, the constructed system would weigh less than 20 kg. For irregularly shaped fields, the use of the DCS reduces the mean dose outside of a 2D target of 46.6 cm{sup 2} by approximately 40% as compared to an identical plan without collimation. The use of the DCS increased treatment time by 1–3 s per energy layer. Conclusions: The spread of the lateral penumbra of low-energy SS proton treatments may be greatly reduced with the use of this system at the cost of only a small penalty in delivery time.« less

The Storage Ring Proton EDM Experiment

NASA Astrophysics Data System (ADS)

Semertzidis, Yannis; Storage Ring Proton EDM Collaboration

2014-09-01

The storage ring pEDM experiment utilizes an all-electric storage ring to store ~1011 longitudinally polarized protons simultaneously in clock-wise and counter-clock-wise directions for 103 seconds. The radial E-field acts on the proton EDM for the duration of the storage time to precess its spin in the vertical plane. The ring lattice is optimized to reduce intra-beam scattering, increase the statistical sensitivity and reduce the systematic errors of the method. The main systematic error is a net radial B-field integrated around the ring causing an EDM-like vertical spin precession. The counter-rotating beams sense this integrated field and are vertically shifted by an amount, which depends on the strength of the vertical focusing in the ring, thus creating a radial B-field. Modulating the vertical focusing at 10 kHz makes possible the detection of this radial B-field by a SQUID-magnetometer (SQUID-based BPM). For a total number of n SQUID-based BPMs distributed around the ring the effectiveness of the method is limited to the N = n /2 harmonic of the background radial B-field due to the Nyquist sampling theorem limit. This limitation establishes the requirement to reduce the maximum radial B-field to 0.1-1 nT everywhere around the ring by layers of mu-metal and aluminum vacuum tube. The metho's sensitivity is 10-29 e .cm , more than three orders of magnitude better than the present neutron EDM experimental limit, making it sensitive to SUSY-like new physics mass scale up to 300 TeV.

Towards developing a backing layer for proton exchange membrane electrolyzers

NASA Astrophysics Data System (ADS)

Lettenmeier, P.; Kolb, S.; Burggraf, F.; Gago, A. S.; Friedrich, K. A.

2016-04-01

Current energy policies require the urgent replacement of fossil energy carriers by carbon neutral ones, such as hydrogen. The backing or micro-porous layer plays an important role in the performance of hydrogen proton exchange membrane (PEM) fuel cells, reducing contact resistance and improving reactant/product management. Such carbon-based coating cannot be used in PEM electrolysis since it oxidizes to CO2 at high voltages. A functional titanium macro-porous layer (MPL) on the current collectors of a PEM electrolyzer is developed by thermal spraying. It improves the contact with the catalyst layers by ca. 20 mΩ cm2, increasing significantly the efficiency of the device when operating at high current densities.

Magnetically Induced Rotating Rayleigh-Taylor Instability.

PubMed

Scase, Matthew M; Baldwin, Kyle A; Hill, Richard J A

2017-03-03

Classical techniques for investigating the Rayleigh-Taylor instability include using compressed gasses 1 , rocketry 2 or linear electric motors 3 to reverse the effective direction of gravity, and accelerate the lighter fluid toward the denser fluid. Other authors e.g. 4 , 5 , 6 have separated a gravitationally unstable stratification with a barrier that is removed to initiate the flow. However, the parabolic initial interface in the case of a rotating stratification imposes significant technical difficulties experimentally. We wish to be able to spin-up the stratification into solid-body rotation and only then initiate the flow in order to investigate the effects of rotation upon the Rayleigh-Taylor instability. The approach we have adopted here is to use the magnetic field of a superconducting magnet to manipulate the effective weight of the two liquids to initiate the flow. We create a gravitationally stable two-layer stratification using standard flotation techniques. The upper layer is less dense than the lower layer and so the system is Rayleigh-Taylor stable. This stratification is then spun-up until both layers are in solid-body rotation and a parabolic interface is observed. These experiments use fluids with low magnetic susceptibility, |χ| ~ 10 -6 - 10 -5 , compared to a ferrofluids. The dominant effect of the magnetic field applies a body-force to each layer changing the effective weight. The upper layer is weakly paramagnetic while the lower layer is weakly diamagnetic. When the magnetic field is applied, the lower layer is repelled from the magnet while the upper layer is attracted towards the magnet. A Rayleigh-Taylor instability is achieved with application of a high gradient magnetic field. We further observed that increasing the dynamic viscosity of the fluid in each layer, increases the length-scale of the instability.

Puzzling Two-Proton Decay of 67Kr

NASA Astrophysics Data System (ADS)

Wang, S. M.; Nazarewicz, W.

2018-05-01

Ground-state two-proton (2 p ) radioactivity is a rare decay mode found in a few very proton-rich isotopes. The 2 p decay lifetime and properties of emitted protons carry invaluable information on nuclear structure in the presence of a low-lying proton continuum. The recently measured 2 p decay of 67Kr turned out to be unexpectedly fast. Since 67Kr is expected to be a deformed system, we investigate the impact of deformation effects on the 2 p radioactivity. We apply the recently developed Gamow coupled-channel framework, which allows for a precise description of three-body systems in the presence of rotational and vibrational couplings. This is the first application of a three-body approach to a two-nucleon decay from a deformed nucleus. We show that deformation couplings significantly increase the 2 p decay width of 67Kr; this finding explains the puzzling experimental data. The calculated angular proton-proton correlations reflect a competition between 1 p and 2 p decay modes in this nucleus.

Sensitivity of transitions in internal rotor molecules to a possible variation of the proton-to-electron mass ratio

DOE Office of Scientific and Technical Information (OSTI.GOV)

Jansen, Paul; Ubachs, Wim; Bethlem, Hendrick L.

2011-12-15

Recently, methanol was identified as a sensitive target system to probe variations of the proton-to-electron mass ratio {mu}[Jansen et al., Phys. Rev. Lett. 106, 100801 (2011)]. The high sensitivity of methanol originates from the interplay between overall rotation and hindered internal rotation of the molecule; that is, transitions that convert internal rotation energy into overall rotation energy, or vice versa, have an enhanced sensitivity coefficient, K{sub {mu}}. As internal rotation is a common phenomenon in polyatomic molecules, it is likely that other molecules display similar or even larger effects. In this paper we generalize the concepts that form the foundationmore » of the high sensitivity in methanol and use this to construct an approximate model which makes it possible to estimate the sensitivities of transitions in internal rotor molecules with C{sub 3v} symmetry, without performing a full calculation of energy levels. We find that a reliable estimate of transition sensitivities can be obtained from the three rotational constants (A, B, and C) and three torsional constants (F, V{sub 3}, and {rho}). This model is verified by comparing obtained sensitivities for methanol, acetaldehyde, acetamide, methyl formate, and acetic acid with a full analysis of the molecular Hamiltonian. Of the molecules considered, methanol is by far the most suitable candidate for laboratory and cosmological tests searching for a possible variation of {mu}.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noda, Akira; Iwashita, Yoshihisa; Souda, Hikaru

A phase rotation scheme of laser-produced ions from a solid target by the application of a synchronized RF electric voltage with a pulsed laser has been experimentally investigated with the use of a 100 TW laser, J-KAREN at JAEA, KPSI. Up to now, energy peaks of up to around 2.0 MeV have been created with a FWHM of 2.6% with good reproducibility using a two-gap resonator of a quarter wave length with the same frequency as the source laser (approx80 MHz). It is also found that the position of the peak can be well controlled by adjusting the relative phasemore » between the RF electric field and the laser, which is very promising for real applications of such laser-produced protons. In order to also apply such a phase rotation system for higher energy protons (<200 MeV), a scheme to use a small linear accelerator (LINAC) with multi-gaps is proposed as a phase rotator. With multi-gap structure, alternating focusing between longitudinal and transverse degrees of freedoms can be realized. From the point of compactness and realizing a small focused spot, however, a scheme combining separate quadrupole magnets just before and after the RF cavity excited with the Wideroee mode, might be more effective. The scheme presented here will realize laser-produced ions (protons) with good reproducibility by combining with RF technology.« less

Generalization of Boundary-Layer Momentum-Integral Equations to Three-Dimensional Flows Including Those of Rotating System

NASA Technical Reports Server (NTRS)

Mager, Arthur

1952-01-01

The Navier-Stokes equations of motion and the equation of continuity are transformed so as to apply to an orthogonal curvilinear coordinate system rotating with a uniform angular velocity about an arbitrary axis in space. A usual simplification of these equations as consistent with the accepted boundary-layer theory and an integration of these equations through the boundary layer result in boundary-layer momentum-integral equations for three-dimensional flows that are applicable to either rotating or nonrotating fluid boundaries. These equations are simplified and an approximate solution in closed integral form is obtained for a generalized boundary-layer momentum-loss thickness and flow deflection at the wall in the turbulent case. A numerical evaluation of this solution carried out for data obtained in a curving nonrotating duct shows a fair quantitative agreement with the measures values. The form in which the equations are presented is readily adaptable to cases of steady, three-dimensional, incompressible boundary-layer flow like that over curved ducts or yawed wings; and it also may be used to describe the boundary-layer flow over various rotating surfaces, thus applying to turbomachinery, propellers, and helicopter blades.

Differential rotation in solar-like stars from global simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Guerrero, G.; Kosovichev, A. G.; Smolarkiewicz, P. K.

2013-12-20

To explore the physics of large-scale flows in solar-like stars, we perform three-dimensional anelastic simulations of rotating convection for global models with stratification resembling the solar interior. The numerical method is based on an implicit large-eddy simulation approach designed to capture effects from non-resolved small scales. We obtain two regimes of differential rotation, with equatorial zonal flows accelerated either in the direction of rotation (solar-like) or in the opposite direction (anti-solar). While the models with the solar-like differential rotation tend to produce multiple cells of meridional circulation, the models with anti-solar differential rotation result in only one or two meridionalmore » cells. Our simulations indicate that the rotation and large-scale flow patterns critically depend on the ratio between buoyancy and Coriolis forces. By including a sub-adiabatic layer at the bottom of the domain, corresponding to the stratification of a radiative zone, we reproduce a layer of strong radial shear similar to the solar tachocline. Similarly, enhanced super-adiabaticity at the top results in a near-surface shear layer located mainly at lower latitudes. The models reveal a latitudinal entropy gradient localized at the base of the convection zone and in the stable region, which, however, does not propagate across the convection zone. In consequence, baroclinicity effects remain small, and the rotation isocontours align in cylinders along the rotation axis. Our results confirm the alignment of large convective cells along the rotation axis in the deep convection zone and suggest that such 'banana-cell' pattern can be hidden beneath the supergranulation layer.« less

Protons and Electrons in Jupiter's Magnetic Field: Results from the University of Chicago Experiment on Pioneer 10.

PubMed

Simpson, J A; Hamilton, D; Lentz, G; McKibben, R B; Mogro-Campero, A; Perkins, M; Pyle, K R; Tuzzolino, A J; O'gallagher, J J

1974-01-25

Fluxes of high energy electrons and protons are found to be highly concentrated near the magnetic equatorial plane from distances of ~ 30 to ~ 100 Jovian radii (R(J)). The 10-hour period of planetary rotation is observed as an intensity variation, which indicates that the equatorial zone of high particle fluxes is inclined with respect to the rotation axis of the planet. At radial distances [unknown] 20 R(J) the synchrotron-radiation-producing electrons with energies greater, similar 3 million electron volts rise steeply to a maximum intensity of ~ 5 x 10(8) electrons per square centimeter per second near the periapsis at 2.8 R(J). The flux of protons with energies greater, similar 30 million electron volts reaches a maximum intensity of ~ 4 x 10(6) protons per square centimeter per second at ~ 3.5 R(J) with the intensity decreasing inside this radial distance. Only for radial distances [unknown] 20 R(J) does the radiation behave in a manner which is similar to that at the earth. Burst of electrons with energies up to 30 million electron volts, each lasting about 2 days, were observed in interplanetary space beginning approximately 1 month before encounter. This radiation appears to have escaped from the Jovian bow shock or magnetosphere.

Isomers and conformational barriers of gas phase nicotine, nornicotine and their protonated forms

DOE Office of Scientific and Technical Information (OSTI.GOV)

Yoshida, Tomoki; Farone, William A.; Xantheas, Sotiris S.

We report extensive conformational searches of the neutral nicotine, nornicotine and their protonated analogs that are based on ab-initio second order Møller-Plesset perturbation (MP2) electronic structure calculations. Initial searches were performed with the 6-31G(d,p) and the energetics of the most important structures were further refined from geometry optimizations with the aug-cc-pVTZ basis set. Based on the calculated free energies at T=298 K for the gas phase molecules, neutral nicotine has two dominant trans conformers, whereas neutral nornicotine is a mixture of several conformers. For nicotine, the protonation on both the pyridine and the pyrrolidine sites is energetically competitive, whereas nornicotinemore » prefers protonation on the pyridine nitrogen. The protonated form of nicotine is mainly a mixture of two pyridine-protonated trans conformers and two pyrrolidine-protonated trans conformers, whereas the protonated form of nornicotine is a mixture of four pyridine-protonated trans conformers. Nornicotine is conformationally more flexible than nicotine, however it is less protonated at the biologically important pyrrolidine nitrogen site. The lowest energy isomers for each case were found to interconvert via low (< 6 kcal/mol) rotational barriers around the pyridine-pyrrolidine bond.« less

Exchange-mediated contrast in CEST and spin-lock imaging.

PubMed

Cobb, Jared Guthrie; Li, Ke; Xie, Jingping; Gochberg, Daniel F; Gore, John C

2014-01-01

Magnetic resonance images of biological media based on chemical exchange saturation transfer (CEST) show contrast that depends on chemical exchange between water and other protons. In addition, spin-lattice relaxation rates in the rotating frame (R1ρ) are also affected by exchange, especially at high fields, and can be exploited to provide novel, exchange-dependent contrast. Here, we evaluate and compare the factors that modulate the exchange contrast for these methods using simulations and experiments on simple, biologically relevant samples. Simulations and experimental measurements at 9.4 T of rotating frame relaxation rate dispersion and CEST contrast were performed on solutions of macromolecules containing amide and hydroxyl exchanging protons. The simulations and experimental measurements confirm that both CEST and R1ρ measurements depend on similar exchange parameters, but they manifest themselves differently in their effects on contrast. CEST contrast may be larger in the slow and intermediate exchange regimes for protons with large resonant frequency offsets (e.g. >2 ppm). Spin-locking techniques can produce larger contrast enhancement when resonant frequency offsets are small (<2 ppm) and exchange is in the intermediate-to-fast regime. The image contrasts scale differently with field strength, exchange rate and concentration. CEST and R1ρ measurements provide different and somewhat complementary information about exchange in tissues. Whereas CEST can depict exchange of protons with specific chemical shifts, appropriate R1ρ-dependent acquisitions can be employed to selectively portray protons of specific exchange rates. © 2013.

Exchange-Mediated Contrast in CEST and Spin-Lock Imaging

PubMed Central

Cobb, Jared Guthrie; Li, Ke; Xie, Jingping; Gochberg, Daniel F.; Gore, John C.

2014-01-01

PURPOSE Magnetic resonance images of biological media based on chemical exchange saturation transfer (CEST) show contrast that depends on chemical exchange between water and other protons. In addition, spin-lattice relaxation rates in the rotating frame (R1ρ) are also affected by exchange, especially at high fields, and can be exploited to provide novel, exchange-dependent contrast. Here, we evaluate and compare the factors that modulate the exchange contrast for these methods using simulations and experiments on simple, biologically relevant samples. METHODS Simulations and experimental measurements at 9.4T of rotating frame relaxation rate dispersion and CEST contrast were performed on solutions of macromolecules containing amide and hydroxyl exchanging protons. RESULTS The simulations and experimental measurements confirm that both CEST and R1ρ measurements depend on similar exchange parameters, but they manifest themselves differently in their effects on contrast. CEST contrast may be larger in the slow and intermediate exchange regimes for protons with large resonant frequency offsets (e.g. > 2ppm). Spin-locking techniques can produce larger contrast enhancement when resonant frequency offsets are small (< 2 ppm) and exchange is in the intermediate to fast regime. The image contrasts scale differently with field strength, exchange rate and concentration. CONCLUSION CEST and R1ρ measurements provide different and somewhat complementary information about exchange in tissues. Whereas CEST can depict exchange of protons with specific chemical shifts, appropriate R1ρ dependent acquisitions can be employed to selectively portray protons of specific exchange rates. PMID:24239335

Effects of spanwise rotation on the structure of two-dimensional fully developed turbulent channel flow.

NASA Technical Reports Server (NTRS)

Johnston, J. P.; Halleen, R. M.; Lezius, D. K.

1972-01-01

Experiments on fully developed turbulent flow in a channel which is rotating at a steady rate about a spanwise axis are described. The Coriolis force components in the region of two-dimensional mean flow affect both local and global stability. Three stability-related phenomena were observed or inferred: (1) the reduction (increase) of the rate of wall-layer streak bursting in locally stabilized (destabilized) wall layers; (2) the total suppression of transition to turbulence in a stabilized layer; (3) the development of large-scale roll cells on the destabilized side of the channel by growth of a Taylor-Gortler vortex instability. Local effects of rotational stabilization, such as reduction of the turbulent stress in wall layers, can be related to the local Richardson number in a simple way. This paper not only investigates this effect, but also, by methods of flow visualization, exposes some of the underlying structure changes caused by rotation.-

Magneto-optical microcavity with Au plasmonic layer

NASA Astrophysics Data System (ADS)

Mikhailova, T. V.; Lyashko, S. D.; Tomilin, S. V.; Karavainikov, A. V.; Prokopov, A. R.; Shaposhnikov, A. N.; Berzhansky, V. N.

2017-11-01

Optical and Faraday rotation spectra of magneto-optical microcavity coated with Au plasmonic layer of gradient thickness were investigated theoretically and experimentally. It was shown that the Tamm plasmon-polaritons mode forms near the long-wavelength edge of photonic band gap. The presence of Au coating of thickness of 90.4 nm increase the Faraday rotation at Tamm plasmon-polaritons and cavity resonances in 1.3 and 7 times, respectively. By transfer matrix method it were found that the incorporation of SiO2 buffer layer with a thickness in the range from 155 to 180 nm between microcavity and Au coating leads to the strong coupling between cavity mode and Tamm plasmon-polaritons. In this case, one or two resonances arise in the vicinity of the cavity mode depending on the thickness of plasmonic layer. The Faraday rotation for coupled mode in twice less than the value of rotation for single cavity mode.

Proton dynamics of phosphoric acid in HT-PEFCs: Towards "operando" experiments

NASA Astrophysics Data System (ADS)

Khaneft, Marina; Shuai, Liu; Lin, Yu; Janßen, Holger; Lüke, Wiebke; Zorn, Reiner; Ivanova, Oxana; Radulescu, Aurel; Holderer, Olaf; Lehnert, Werner

2018-05-01

High Temperature Polymer Electrolyte Fuel Cells (HT-PEFCs) have been studied with quasielastic neutron scattering, which gives access to the proton diffusion in the fuel cell on local length- and timescales. So far, the different components such as the proton conducting membrane and the electrode layers have been studied separately. Here we show that also operating fuel cells can be investigated and the proton diffusion can be measured under real working conditions. The proton diffusion during power production is compared to that "at rest" but at elevated temperatures.

Rotator cuff problems

MedlinePlus

... smooth layer) lining these tendons. A rotator cuff tear occurs when one of the tendons is torn ... Poor posture over many years Aging Rotator cuff tears TEARS Rotator cuff tears may occur in two ...

Proton dose distribution measurements using a MOSFET detector with a simple dose-weighted correction method for LET effects.

PubMed

Kohno, Ryosuke; Hotta, Kenji; Matsuura, Taeko; Matsubara, Kana; Nishioka, Shie; Nishio, Teiji; Kawashima, Mitsuhiko; Ogino, Takashi

2011-04-04

We experimentally evaluated the proton beam dose reproducibility, sensitivity, angular dependence and depth-dose relationships for a new Metal Oxide Semiconductor Field Effect Transistor (MOSFET) detector. The detector was fabricated with a thinner oxide layer and was operated at high-bias voltages. In order to accurately measure dose distributions, we developed a practical method for correcting the MOSFET response to proton beams. The detector was tested by examining lateral dose profiles formed by protons passing through an L-shaped bolus. The dose reproducibility, angular dependence and depth-dose response were evaluated using a 190 MeV proton beam. Depth-output curves produced using the MOSFET detectors were compared with results obtained using an ionization chamber (IC). Since accurate measurements of proton dose distribution require correction for LET effects, we developed a simple dose-weighted correction method. The correction factors were determined as a function of proton penetration depth, or residual range. The residual proton range at each measurement point was calculated using the pencil beam algorithm. Lateral measurements in a phantom were obtained for pristine and SOBP beams. The reproducibility of the MOSFET detector was within 2%, and the angular dependence was less than 9%. The detector exhibited a good response at the Bragg peak (0.74 relative to the IC detector). For dose distributions resulting from protons passing through an L-shaped bolus, the corrected MOSFET dose agreed well with the IC results. Absolute proton dosimetry can be performed using MOSFET detectors to a precision of about 3% (1 sigma). A thinner oxide layer thickness improved the LET in proton dosimetry. By employing correction methods for LET dependence, it is possible to measure absolute proton dose using MOSFET detectors.

Proton dose distribution measurements using a MOSFET detector with a simple dose‐weighted correction method for LET effects

PubMed Central

Hotta, Kenji; Matsuura, Taeko; Matsubara, Kana; Nishioka, Shie; Nishio, Teiji; Kawashima, Mitsuhiko; Ogino, Takashi

2011-01-01

We experimentally evaluated the proton beam dose reproducibility, sensitivity, angular dependence and depth‐dose relationships for a new Metal Oxide Semiconductor Field Effect Transistor (MOSFET) detector. The detector was fabricated with a thinner oxide layer and was operated at high‐bias voltages. In order to accurately measure dose distributions, we developed a practical method for correcting the MOSFET response to proton beams. The detector was tested by examining lateral dose profiles formed by protons passing through an L‐shaped bolus. The dose reproducibility, angular dependence and depth‐dose response were evaluated using a 190 MeV proton beam. Depth‐output curves produced using the MOSFET detectors were compared with results obtained using an ionization chamber (IC). Since accurate measurements of proton dose distribution require correction for LET effects, we developed a simple dose‐weighted correction method. The correction factors were determined as a function of proton penetration depth, or residual range. The residual proton range at each measurement point was calculated using the pencil beam algorithm. Lateral measurements in a phantom were obtained for pristine and SOBP beams. The reproducibility of the MOSFET detector was within 2%, and the angular dependence was less than 9%. The detector exhibited a good response at the Bragg peak (0.74 relative to the IC detector). For dose distributions resulting from protons passing through an L‐shaped bolus, the corrected MOSFET dose agreed well with the IC results. Absolute proton dosimetry can be performed using MOSFET detectors to a precision of about 3% (1 sigma). A thinner oxide layer thickness improved the LET in proton dosimetry. By employing correction methods for LET dependence, it is possible to measure absolute proton dose using MOSFET detectors. PACS number: 87.56.‐v

Target assembly

DOEpatents

Lewis, Richard A.

1980-01-01

A target for a proton beam which is capable of generating neutrons for absorption in a breeding blanket includes a plurality of solid pins formed of a neutron emissive target material disposed parallel to the path of the beam and which are arranged axially in a plurality of layers so that pins in each layer are offset with respect to pins in all other layers, enough layers being used so that each proton in the beam will strike at least one pin with means being provided to cool the pins. For a 300 mA, 1 GeV beam (300 MW), stainless steel pins, 12 inches long and 0.23 inches in diameter are arranged in triangular array in six layers with one sixth of the pins in each layer, the number of pins being such that the entire cross sectional area of the beam is covered by the pins with minimum overlap of pins.

Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO 4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity

DOE PAGES

Sen Gupta, Arnab; Akamatsu, Hirofumi; Brown, Forrest G.; ...

2016-12-06

We report the discovery of noncentrosymmetry in the family of HRTiO 4 (R = Eu, Gd, Dy) layered oxides possessing a Ruddlesden-Popper derivative structure, by second harmonic generation and synchrotron x-ray diffraction with the support of density functional theory calculations. These oxides were previously thought to possess inversion symmetry. Here, inversion symmetry is broken by oxygen octahedral rotations, a mechanism that is not active in simple perovskites. We discover a competition between oxygen octahedral rotations and sliding of the octahedral perovskite blocks at the OH layers. For the smaller rare earth ions, R = Eu, Gd, Dy, which favor themore » octahedral rotations, noncentrosymmetry is present but the sliding at the OH layer is absent. For the larger rare earth ions, R = Nd and Sm, the octahe-dral rotations are absent, but sliding of the octahedral blocks at the OH layer is present, likely to optimize the hydrogen bond length arising from the directional nature of these bonds in the crystal structure. The study reveals a new mechanism for inducing noncentrosymmetry in layered oxides, and chemical-structural effects related to rare earth ion size and hydrogen bonding that can turn this mechanism on and off. In conclusion, we construct a complete phase diagram of temperature versus rare earth ionic radius for the HRTiO 4 family.« less

Competing Structural Instabilities in the Ruddlesden–Popper Derivatives HRTiO 4 (R = Rare Earths): Oxygen Octahedral Rotations Inducing Noncentrosymmetricity and Layer Sliding Retaining Centrosymmetricity

DOE Office of Scientific and Technical Information (OSTI.GOV)

Sen Gupta, Arnab; Akamatsu, Hirofumi; Brown, Forrest G.

We report the discovery of noncentrosymmetry in the family of HRTiO 4 (R = Eu, Gd, Dy) layered oxides possessing a Ruddlesden-Popper derivative structure, by second harmonic generation and synchrotron x-ray diffraction with the support of density functional theory calculations. These oxides were previously thought to possess inversion symmetry. Here, inversion symmetry is broken by oxygen octahedral rotations, a mechanism that is not active in simple perovskites. We discover a competition between oxygen octahedral rotations and sliding of the octahedral perovskite blocks at the OH layers. For the smaller rare earth ions, R = Eu, Gd, Dy, which favor themore » octahedral rotations, noncentrosymmetry is present but the sliding at the OH layer is absent. For the larger rare earth ions, R = Nd and Sm, the octahe-dral rotations are absent, but sliding of the octahedral blocks at the OH layer is present, likely to optimize the hydrogen bond length arising from the directional nature of these bonds in the crystal structure. The study reveals a new mechanism for inducing noncentrosymmetry in layered oxides, and chemical-structural effects related to rare earth ion size and hydrogen bonding that can turn this mechanism on and off. In conclusion, we construct a complete phase diagram of temperature versus rare earth ionic radius for the HRTiO 4 family.« less

Giant optical rotation in a three-dimensional semiconductor chiral photonic crystal.

PubMed

Takahashi, S; Tandaechanurat, A; Igusa, R; Ota, Y; Tatebayashi, J; Iwamoto, S; Arakawa, Y

2013-12-02

Optical rotation is experimentally demonstrated in a semiconductor-based three-dimensional chiral photonic crystal (PhC) at a telecommunication wavelength. We design a rotationally-stacked woodpile PhC structure, where neighboring layers are rotated by 45° and four layers construct a single helical unit. The mirror-asymmetric PhC made from GaAs with sub-micron periodicity is fabricated by a micro-manipulation technique. The linearly polarized light incident on the structure undergoes optical rotation during transmission. The obtained results show good agreement with numerical simulations. The measurement demonstrates the largest optical rotation angle as large as ∼ 23° at 1.3 μm wavelength for a single helical unit.

Tidal synchronization of an anelastic multi-layered body: Titan's synchronous rotation

NASA Astrophysics Data System (ADS)

Folonier, Hugo A.; Ferraz-Mello, Sylvio

2017-12-01

Tidal torque drives the rotational and orbital evolution of planet-satellite and star-exoplanet systems. This paper presents one analytical tidal theory for a viscoelastic multi-layered body with an arbitrary number of homogeneous layers. Starting with the static equilibrium figure, modified to include tide and differential rotation, and using the Newtonian creep approach, we find the dynamical equilibrium figure of the deformed body, which allows us to calculate the tidal potential and the forces acting on the tide generating body, as well as the rotation and orbital elements variations. In the particular case of the two-layer model, we study the tidal synchronization when the gravitational coupling and the friction in the interface between the layers is added. For high relaxation factors (low viscosity), the stationary solution of each layer is synchronous with the orbital mean motion ( n) when the orbit is circular, but the rotational frequencies increase if the orbital eccentricity increases. This behavior is characteristic in the classical Darwinian theories and in the homogeneous case of the creep tide theory. For low relaxation factors (high viscosity), as in planetary satellites, if friction remains low, each layer can be trapped in different spin-orbit resonances with frequencies n/2,n,3n/2,2n,\\ldots . When the friction increases, attractors with differential rotations are destroyed, surviving only commensurabilities in which core and shell have the same velocity of rotation. We apply the theory to Titan. The main results are: (i) the rotational constraint does not allow us to confirm or reject the existence of a subsurface ocean in Titan; and (ii) the crust-atmosphere exchange of angular momentum can be neglected. Using the rotation estimate based on Cassini's observation (Meriggiola et al. in Icarus 275:183-192, 2016), we limit the possible value of the shell relaxation factor, when a deep subsurface ocean is assumed, to γ _s≲ 10^{-9} s^{-1}, which corresponds to a shell's viscosity η _s≳ 10^{18} Pa s, depending on the ocean's thickness and viscosity values. In the case in which a subsurface ocean does not exist, the maximum shell relaxation factor is one order of magnitude smaller and the corresponding minimum shell's viscosity is one order higher.

Tuning transitions in rotating Rayleigh-Bénard convection

NASA Astrophysics Data System (ADS)

Joshi, Pranav; Kunnen, Rudie; Clercx, Herman

2015-11-01

Turbulent rotating Rayleigh-Bénard convection, depending on the system parameters, exhibits multiple flow states and transitions between them. The present experimental study aims to control the transitions between the flow regimes, and hence the system heat transfer characteristics, by introducing particles in the flow. We inject near-neutrally buoyant silver coated hollow ceramic spheres (~100 micron diameter) and measure the system response, i.e. the Nusselt number, at different particle concentrations and rotation rates. Both for rotating and non-rotating cases, most of the particles settle on the top and bottom plates in a few hours following injection. This rapid settling may be a result of ``trapping'' of particles in the laminar boundary layers at the horizontal walls. These particle layers on the heat-transfer surfaces reduce their effective conductivity, and consequently, lower the heat transfer rate. We calculate the effective system parameters by estimating, and accounting for, the temperature drop across the particle layers. Preliminary analysis suggests that the thermal resistance of the particle layers may affect the flow structure and delay the transition to the ``geostrophic'' regime. Financial support from Foundation for Fundamental Research on Matter.

Self-Assembled Layering of Magnetic Nanoparticles in a Ferrofluid on Silicon Surfaces.

PubMed

Theis-Bröhl, Katharina; Vreeland, Erika C; Gomez, Andrew; Huber, Dale L; Saini, Apurve; Wolff, Max; Maranville, Brian B; Brok, Erik; Krycka, Kathryn L; Dura, Joseph A; Borchers, Julie A

2018-02-07

This article describes the three-dimensional self-assembly of monodisperse colloidal magnetite nanoparticles (NPs) from a dilute water-based ferrofluid onto a silicon surface and the dependence of the resultant magnetic structure on the applied field. The NPs assemble into close-packed layers on the surface followed by more loosely packed ones. The magnetic field-dependent magnetization of the individual NP layers depends on both the rotational freedom of the layer and the magnetization of the adjacent layers. For layers in which the NPs are more free to rotate, the easy axis of the NP can readily orient along the field direction. In more dense packing, free rotation of the NPs is hampered, and the NP ensembles likely build up quasi-domain states to minimize energy, which leads to lower magnetization in those layers. Detailed analysis of polarized neutron reflectometry data together with model calculations of the arrangement of the NPs within the layers and input from small-angle scattering measurements provide full characterization of the core/shell NP dimensions, degree of chaining, arrangement of the NPs within the different layers, and magnetization depth profile.

The dynamics of layered and non-layered oscillatory double-diffusive convection

NASA Astrophysics Data System (ADS)

Moll, Ryan D.

Oscillatory double diffusive convection (ODDC) is a double diffusive instability that occurs in fluids that are unstably stratified in temperature and stably stratified in chemical composition. Regions unstable to ODDC are common in the interiors of stars and giant planets, and knowing thermal and compositional transport through these regions is important for stellar and planetary evolution models. Using 3D direct numerical simulations, Rosenblum et al. 2011 first showed that ODDC can either lead to the spontaneous formation of convective layers, or remain in a state dominated by large scale gravity waves. Subsequent studies focused on identifying the conditions for layer formation (Mirouh et al. 2012), and quantifying transport through layered systems (Wood et al. 2013). This document includes 3 works that build on the results of these earlier studies. The subject of the first is transport through non-layered ODDC and shows that in the absence of layered convection, ODDC is dominated by large scale gravity waves that grow to the size of the domain. We find that while these gravity waves induce small amounts of turbulent mixing, turbulent transport through non-layered systems is not significant for the purposes of astrophysical modeling (unlike in layered convection). The second study pertains to ODDC in the presence of Coriolis forces, and shows that rotating systems can be categorized depending on the strength of the rotation. We find that in the slowly rotating regime, the presence of rotation does not significantly affect qualitative behavior, but leads to modest reductions in thermal and compositional transport, while in the fast rotation regime qualitative behaviors are radically different, and systems are dominated by vortices that affect thermal and compositional transport in complex ways. In the final work we study simulations of ODDC at non-layered parameters that are forced into a layered configuration by initial conditions. Our results show that measurements of thermal and compositional transport deviate from values predicted by oft-cited geophysical transport laws.

Conformational analysis of methylphenidate: comparison of molecular orbital and molecular mechanics methods

NASA Astrophysics Data System (ADS)

Gilbert, Kathleen M.; Skawinski, William J.; Misra, Milind; Paris, Kristina A.; Naik, Neelam H.; Buono, Ronald A.; Deutsch, Howard M.; Venanzi, Carol A.

2004-11-01

Methylphenidate (MP) binds to the cocaine binding site on the dopamine transporter and inhibits reuptake of dopamine, but does not appear to have the same abuse potential as cocaine. This study, part of a comprehensive effort to identify a drug treatment for cocaine abuse, investigates the effect of choice of calculation technique and of solvent model on the conformational potential energy surface (PES) of MP and a rigid methylphenidate (RMP) analogue which exhibits the same dopamine transporter binding affinity as MP. Conformational analysis was carried out by the AM1 and AM1/SM5.4 semiempirical molecular orbital methods, a molecular mechanics method (Tripos force field with the dielectric set equal to that of vacuum or water) and the HF/6-31G* molecular orbital method in vacuum phase. Although all three methods differ somewhat in the local details of the PES, the general trends are the same for neutral and protonated MP. In vacuum phase, protonation has a distinctive effect in decreasing the regions of space available to the local conformational minima. Solvent has little effect on the PES of the neutral molecule and tends to stabilize the protonated species. The random search (RS) conformational analysis technique using the Tripos force field was found to be capable of locating the minima found by the molecular orbital methods using systematic grid search. This suggests that the RS/Tripos force field/vacuum phase protocol is a reasonable choice for locating the local minima of MP. However, the Tripos force field gave significantly larger phenyl ring rotational barriers than the molecular orbital methods for MP and RMP. For both the neutral and protonated cases, all three methods found the phenyl ring rotational barriers for the RMP conformers/invertamers (denoted as cte, tte, and cta) to be: cte, tte> MP > cta. Solvation has negligible effect on the phenyl ring rotational barrier of RMP. The B3LYP/6-31G* density functional method was used to calculate the phenyl ring rotational barrier for neutral MP and gave results very similar to those of the HF/6-31G* method.

Commissioning of a proton gantry equipped with dual x-ray imagers and a robotic patient positioner, and evaluation of the accuracy of single-beam image registration for this system

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, Ning; Ghebremedhin, Abiel; Patyal, Baldev, E-mail: bpatyal@llu.eduss

Purpose: To check the accuracy of a gantry equipped with dual x-ray imagers and a robotic patient positioner for proton radiotherapy, and to evaluate the accuracy and feasibility of single-beam registration using the robotic positioner. Methods: One of the proton treatment rooms at their institution was upgraded to include a robotic patient positioner (couch) with 6 degrees of freedom and dual orthogonal kilovoltage x-ray imaging panels. The wander of the proton beam central axis, the wander of the beamline, and the orthogonal image panel crosswires from the gantry isocenter were measured for different gantry angles. The couch movement accuracy andmore » couch wander from the gantry isocenter were measured for couch loadings of 50–300 lb with couch rotations from 0° to ±90°. The combined accuracy of the gantry, couch, and imagers was checked using a custom-made 30 × 30 × 30 cm{sup 3} Styrofoam phantom with beekleys embedded in it. A treatment in this room can be set up and registered at a setup field location, then moved precisely to any other treatment location without requiring additional image registration. The accuracy of the single-beam registration strategy was checked for treatments containing multiple beams with different combinations of gantry angles, couch yaws, and beam locations. Results: The proton beam central axis wander from the gantry isocenter was within 0.5 mm with gantry rotations in both clockwise (CW) and counterclockwise (CCW) directions. The maximum wander of the beamline and orthogonal imager crosswire centers from the gantry isocenter were within 0.5 and 0.8 mm, respectively, with the gantry rotations in CW and CCW directions. Vertical and horizontal couch wanders from the gantry isocenter were within 0.4 and 1.3 mm, respectively, for couch yaw from 0° to ±90°. For a treatment with multiple beams with different gantry angles, couch yaws, and beam locations, the measured displacements of treatment beam locations from the one based on the initial setup beam registered at the gantry at 0°/180° and couch yaw at 0° were within 1.5 mm in three translations and 0.5° in three rotations for a 200 lb couch loading. Conclusions: Results demonstrate that the gantry equipped with a robotic patient positioner and dual imaging panels satisfies treatment requirements for proton radiotherapy. The combined accuracy of the gantry, couch, and imagers allows a patient to be registered at one setup position and then moved precisely to another treatment position by commanding the robotic patient positioner and delivering treatment without requiring additional image registration.« less

Design and Test Results of Superconducting Magnet for Heavy-Ion Rotating Gantry

NASA Astrophysics Data System (ADS)

Takayama, S.; Koyanagi, K.; Miyazaki, H.; Takami, S.; Orikasa, T.; Ishii, Y.; Kurusu, T.; Iwata, Y.; Noda, K.; Obana, T.; Suzuki, K.; Ogitsu, T.; Amemiya, N.

2017-07-01

Heavy-ion radiotherapy has a high curative effect in cancer treatment and also can reduce the burden on patients. These advantages have been generally recognized. Furthermore, a rotating gantry can irradiate a tumor with ions from any direction without changing the position of the patient. This can reduce the physical dose on normal cells, and is thus commonly used in proton radiotherapy. However, because of the high magnetic rigidity of carbon ions, the weight of the rotating gantry for heavy-ion therapy is about three-times heavier than those used for proton cancer therapy, according to our estimation. To overcome this issue, we developed a small and lightweight rotating gantry in collaboration with the National Institute of Radiological Sciences (NIRS). The compact rotating gantry was composed of ten low-temperature superconducting (LTS) magnets that were designed from the viewpoint of beam optics. These LTS magnets have a surface-winding coil-structure and provide both dipole and quadrupole fields. The maximum dipole and quadrupole magnetic field of the magnets were 2.88 T and 9.3 T/m, respectively. The rotating gantry was installed at NIRS, and beam commissioning is in progress to achieve the required beam quality. In the three years since 2013, in a project supported by the Ministry of Economy, Trade and Industry (METI) and the Japan Agency for Medical Research and Development (AMED), we have been developing high-temperature superconducting (HTS) magnets with the aim of a further size reduction of the rotating gantry. To develop fundamental technologies for designing and fabricating HTS magnets, a model magnet was manufactured. The model magnet was composed of 24 saddle-shaped HTS coils and generated a magnetic field of 1.2 T. In the presentation, recent progress in this research will be reported.

EFFECT OF CHERENKOV LIGHT POLARIZATION ON TOTAL REFLECTION COUNTER

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dowell, J.D.; Duteil, P.; Leontic, B.

1963-01-01

A rugged total internal reflection counter with a 3- to 5cm thick compact radiator was used at the CERN proton synchrotron for beam analysis. The threshold behavior of this counter was compared when filled with glycerol and with turpentine. Turpentine is optically active and rotates the plane of polarization about 7 un. Concent 85% /cm. Figures illustrate the effect of this polarization rotation. (A.G.W.)

Manifestations of geometric phases in a proton electric-dipole-moment experiment in an all-electric storage ring

NASA Astrophysics Data System (ADS)

Silenko, Alexander J.

2017-12-01

We consider a proton electric-dipole-moment experiment in an all-electric storage ring when the spin is frozen and local longitudinal and vertical electric fields alternate. In this experiment, the geometric (Berry) phases are very important. Due to the these phases, the spin rotates about the radial axis. The corresponding systematic error is rather important while it can be canceled with clockwise and counterclockwise beams. The geometric phases also lead to the spin rotation about the radial axis. This effect can be canceled with clockwise and counterclockwise beams as well. The sign of the azimuthal component of the angular velocity of the spin precession depends on the starting point where the spin orientation is perfect. The radial component of this quantity keeps its value and sign for each starting point. When the longitudinal and vertical electric fields are joined in the same sections without any alternation, the systematic error due to the geometric phases does not appear but another systematic effect of the spin rotation about the azimuthal axis takes place. It has opposite signs for clockwise and counterclockwise beams.

Polaronic exciton behavior in gas-phase water

NASA Astrophysics Data System (ADS)

Udal'tsov, Alexander V.

2018-03-01

Features of the absorption spectrum of gas-phase water in the energy range 7-10 eV have been considered applying polaronic exciton theory. The interaction of the incident photon generating polaronic exciton in water is described taking into account angular momentum of the electron so that polaronic exciton radii have been estimated in dependence on spin-orbit coupling under proton sharing. The suggested approach admits an estimate of kinetic and rotation energies of the polaronic exciton. As a result sixteen steps of half Compton wavelength, λC/2 = h/(2mec) changing polaronic exciton radius were found consistent with local maxima and shoulders in the spectrum. Thus, the absorption of gas-phase water in the energy range 8.5-10 eV has been interpreted in terms of polaronic exciton rotation mainly coupled with the proton sharing. The incident photon interaction with water is also considered in terms of Compton interaction, when the rotation energy plays a role like the energy loss of the incident photon under Compton scattering. The found symmetry and the other evidence allowed to conclude about polaronic exciton migration under the interaction angle 90°.

Proton--H/sub 2/ scattering on an ab initio CI potential energy surface. II. Combined vibrational--rotational excitation at 4. 67 and 6 eV

DOE Office of Scientific and Technical Information (OSTI.GOV)

Schinke, R.

1980-04-01

Infinite-order-sudden calculations have been performed at 4.67 and 6 eV on the ab initio CI potential energy surface determined recently by Schinke, Dupuis, and Lester. The vibrational degree of freedom has been treated exactly by solving vibrationally coupled radial equations. The rotationally summed differential cross sections for vibrational excitation are in good agreement with the measurements of Schmidt, Hermann, and Linder. It is shown that the rotational excitation cross sections in the vibrational ground state near the rainbow angle are almost exclusively determined by the potential between 2.5a/sub 0/ and 5a/sub 0/ proton--H/sub 2/ separations. In this region only themore » V/sub 2/ term of an expansion into Legendre polynomials is nonvanishing and is a factor of approx.3 smaller for the new surface than for the Giese and Gentry analytic potential. These differences result in a dramatic decrease of the rotational excitation cross sections in the rainbow region so that the present theoretical transition probabilities are in much better agreement with the experiments than our previous sudden vib--rotor calculations utilizing Giese and Gentry's surface.« less

Rotational Quenching Study in Isovalent H+ + CO and H+ + CS Systems

NASA Astrophysics Data System (ADS)

Kaur, Rajwant; Dhilip Kumar, T. J.

2016-06-01

Cooling and trapping of polar molecules has attracted attention at cold and ultracold temperatures. Extended study of molecular inelastic collision processes of polar interstellar species with proton finds an important astrophysical application to model interstellar medium. Present study includes computation of rate coefficient for molecular rotational quenching process in proton collision with isovalent CO and CS molecules using quantum dynamical close-coupling calculations. Full dimensional ab initio potential energy surfaces have been computed for the ground state for both the systems using internally contracted multireference configuration interaction method and basis sets. Quantum scattering calculations for rotational quenching of isovalent species are studied in the rigid-rotor approximation with CX (X=O, S) bond length fixed at an experimental equilibrium value of 2.138 and 2.900 a.u., respectively. Asymptotic potentials are computed using the dipole and quadrupole moments, and the dipole polarizability components. The resulting long-range potentials with the short-range ab initio interaction potentials have been fitted to study the anisotropy of the rigid-rotor surface using the multipolar expansion coefficients. Rotational quenching cross-section and corresponding rates from j=4 level of CX to lower j' levels have been obtained and found to obey Wigner's threshold law at ultra cold temperatures.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gaubas, E., E-mail: eugenijus.gaubas@ff.vu.lt; Ceponis, T.; Jasiunas, A.

Evolution of the microwave-probed photoconductivity transients and of the proton induced luminescence has simultaneously been examined in polycrystalline CdS layers evaporated in vacuum during exposure to a 1.6 MeV proton beam. The decrease of the intensity of luminescence peaked at 510 and 709 nm wavelengths and of values of the effective carrier lifetime has been correlated in dependence of proton irradiation fluence. The defect introduction rate has been evaluated by the comparative analysis of the laser and proton beam induced luminescence. The difference of a carrier pair generation mechanism inherent for light and for a proton beam has been revealed.

Status of the Proton Therapy Project at IUCF and the Midwest Proton Radiotherapy Institute

NASA Astrophysics Data System (ADS)

Klein, Susan B.

2003-08-01

The first proton therapy patient was successfully treated for astrocytoma using a modified nuclear experimentation beam line and in-house treatment planning in 1993. In 1998, IUCF constructed an eye treatment clinic, and conducted a phase III clinical trial investigating proton radiation treatment of AMD. Treatment was planned using Eyeplan modified to match the IUCF beam characteristics. MPRI was conceptualized in 1996 by a consortium of physicians and physicists. Reconfiguration began in 2000; construction of the achromatic trunk line began in 2001, followed by manufacture of 4 energy selection lines and two fixed horizontal beam treatment lines. Two isocentric, rotational gantries will be installed following completion of the horizontal beam lines. A fifth line will supply the full-time radiation effects research station. Standard proton delivery out of the main stage is specified at 500 nA of 205 MeV. Clinic construction began in April, 2002 and will be completed by mid-December. Design, construction and operation of these proton facilities have been accomplished by the proton therapy group at IUCF.

The Effects of Rotation on Boundary Layers in Turbomachine Rotors

NASA Technical Reports Server (NTRS)

Johnston, J. P.

1974-01-01

The boundary layers in turbomachine rotors are subject to Coriolis forces which can (1) contribute directly to the development of secondary flows and (2) indirectly influence the behavior of boundary layers by augmentation and/or suppression of turbulence production in the boundary layers on blades. Both these rotation-induced phenomena are particularly important in the development of understanding of flow and loss mechanisms in centrifugal and mixed flow machines. The primary objective of this paper is to review the information available on these effects.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Oliver, J. B.

Planetary substrate rotation for optical-coating deposition is evaluated based on initial and final positions for a given layer with different numbers of revolutions and various deposition-source locations. The influence of partial revolutions of the rotation system is analyzed relative to the total number of planetary revolutions in that layer to determine the relative impact on film thickness and uniformity. Furthermore, guidance is provided on the necessary planetary revolutions that should take place in each layer versus the expected error level in the layer thickness for the modeled system.

Wheel-type magnetic refrigerator

DOEpatents

Barclay, John A.

1983-01-01

The disclosure is directed to a wheel-type magnetic refrigerator capable of cooling over a large temperature range. Ferromagnetic or paramagnetic porous materials are layered circumferentially according to their Curie temperature. The innermost layer has the lowest Curie temperature and the outermost layer has the highest Curie temperature. The wheel is rotated through a magnetic field perpendicular to the axis of the wheel and parallel to its direction of rotation. A fluid is pumped through portions of the layers using inner and outer manifolds to achieve refrigeration of a thermal load.

Wheel-type magnetic refrigerator

DOEpatents

Barclay, J.A.

1982-01-20

The disclosure is directed to a wheel-type magnetic refrigerator capable of cooling over a large temperature range. Ferromagnetic or paramagnetic porous materials are layered circumferentially according to their Curie temperature. The innermost layer has the lowest Curie temperature and the outermost layer has the highest Curie temperature. The wheel is rotated through a magnetic field perpendicular to the axis of the wheel and parallel to its direction of rotation. A fluid is pumped through portions of the layers using inner and outer manifolds to achieve refrigeration of a thermal load.

Differential Rotation in Solar-like Convective Envelopes: Influence of Overshoot and Magnetism

NASA Astrophysics Data System (ADS)

Beaudoin, Patrice; Strugarek, Antoine; Charbonneau, Paul

2018-05-01

We present a set of four global Eulerian/semi-Lagrangian fluid solver (EULAG) hydrodynamical (HD) and magnetohydrodynamical (MHD) simulations of solar convection, two of which are restricted to the nominal convection zone, and the other two include an underlying stably stratified fluid layer. While all four simulations generate reasonably solar-like latitudinal differential rotation profiles where the equatorial region rotates faster than the polar regions, the rotational isocontours vary significantly among them. In particular, the purely HD simulation with a stable layer alone can break the Taylor–Proudman theorem and produce approximately radially oriented rotational isocontours at medium to high latitudes. We trace this effect to the buildup of a significant latitudinal temperature gradient in the stable fluid immediately beneath the convection zone, which imprints itself on the lower convection zone. It develops naturally in our simulations as a consequence of convective overshoot and rotational influence of rotation on convective energy fluxes. This favors the establishment of a thermal wind balance that allows evading the Taylor–Proudman constraint. A much smaller latitudinal temperature gradient develops in the companion MHD simulation that includes a stable fluid layer, reflecting the tapering of deep convective overshoot that occurs at medium to high latitudes, which is caused by the strong magnetic fields that accumulate across the base of the convection zone. The stable fluid layer also has a profound impact on the large-scale magnetic cycles developing in the two MHD simulations. Even though both simulations operate in the same convective parameter regime, the simulation that includes a stable layer eventually loses cyclicity and transits to a non-solar, steady quadrupolar state.

Global stability behaviour for the BEK family of rotating boundary layers

NASA Astrophysics Data System (ADS)

Davies, Christopher; Thomas, Christian

2017-12-01

Numerical simulations were conducted to investigate the linear global stability behaviour of the Bödewadt, Ekman, von Kármán (BEK) family of flows, for cases where a disc rotates beneath an incompressible fluid that is also rotating. This extends the work reported in recent studies that only considered the rotating-disc boundary layer with a von Kármán configuration, where the fluid that lies above the boundary layer remains stationary. When a homogeneous flow approximation is made, neglecting the radial variation of the basic state, it can be shown that linearised disturbances are susceptible to absolute instability. We shall demonstrate that, despite this prediction of absolute instability, the disturbance development exhibits globally stable behaviour in the BEK boundary layers with a genuine radial inhomogeneity. For configurations where the disc rotation rate is greater than that of the overlying fluid, disturbances propagate radially outwards and there is only a convective form of instability. This replicates the behaviour that had previously been documented when the fluid did not rotate beyond the boundary layer. However, if the fluid rotation rate is taken to exceed that of the disc, then the propagation direction reverses and disturbances grow while convecting radially inwards. Eventually, as they approach regions of smaller radii, where stability is predicted according to the homogeneous flow approximation, the growth rates reduce until decay takes over. Given sufficient time, such disturbances can begin to diminish at every radial location, even those which are positioned outwards from the radius associated with the onset of absolute instability. This leads to the confinement of the disturbance development within a finitely bounded region of the spatial-temporal plane.

An evaluation of spatial resolution of a prototype proton CT scanner.

PubMed

Plautz, Tia E; Bashkirov, V; Giacometti, V; Hurley, R F; Johnson, R P; Piersimoni, P; Sadrozinski, H F-W; Schulte, R W; Zatserklyaniy, A

2016-12-01

To evaluate the spatial resolution of proton CT using both a prototype proton CT scanner and Monte Carlo simulations. A custom cylindrical edge phantom containing twelve tissue-equivalent inserts with four different compositions at varying radial displacements from the axis of rotation was developed for measuring the modulation transfer function (MTF) of a prototype proton CT scanner. Two scans of the phantom, centered on the axis of rotation, were obtained with a 200 MeV, low-intensity proton beam: one scan with steps of 4°, and one scan with the phantom continuously rotating. In addition, Monte Carlo simulations of the phantom scan were performed using scanners idealized to various degrees. The data were reconstructed using an iterative projection method with added total variation superiorization based on individual proton histories. Edge spread functions in the radial and azimuthal directions were obtained using the oversampling technique. These were then used to obtain the modulation transfer functions. The spatial resolution was defined by the 10% value of the modulation transfer function (MTF 10% ) in units of line pairs per centimeter (lp/cm). Data from the simulations were used to better understand the contributions of multiple Coulomb scattering in the phantom and the scanner hardware, as well as the effect of discretization of proton location. The radial spatial resolution of the prototype proton CT scanner depends on the total path length, W, of the proton in the phantom, whereas the azimuthal spatial resolution depends both on W and the position, u - , at which the most-likely path uncertainty is evaluated along the path. For protons contributing to radial spatial resolution, W varies with the radial position of the edge, whereas for protons contributing to azimuthal spatial resolution, W is approximately constant. For a pixel size of 0.625 mm, the radial spatial resolution of the image reconstructed from the fully idealized simulation data ranged between 6.31 ± 0.36 lp/cm for W = 197 mm i.e., close to the center of the phantom, and 13.79 ± 0.36 lp/cm for W = 97 mm, near the periphery of the phantom. The azimuthal spatial resolution ranged from 6.99 ± 0.23 lp/cm at u - = 75 mm (near the center) to 11.20 ± 0.26 lp/cm at u - = 20 mm (near the periphery). Multiple Coulomb scattering limits the radial spatial resolution for path lengths greater than approximately 130 mm, and the azimuthal spatial resolution for positions of evaluation greater than approximately 40 mm for W = 199 mm. The radial spatial resolution of the image reconstructed from data from the 4° stepped experimental scan ranged from 5.11 ± 0.61 lp/cm for W = 197 mm to 8.58 ± 0.50 lp/cm for W = 97 mm. In the azimuthal direction, the spatial resolution ranged from 5.37 ± 0.40 lp/cm at u - = 75 mm to 7.27 ± 0.39 lp/cm at u - = 20 mm. The continuous scan achieved the same spatial resolution as that of the stepped scan. Multiple Coulomb scattering in the phantom is the limiting physical factor of the achievable spatial resolution of proton CT; additional loss of spatial resolution in the prototype system is associated with scattering in the proton tracking system and inadequacies of the proton path estimate used in the iterative reconstruction algorithm. Improvement in spatial resolution may be achievable by improving the most likely path estimate by incorporating information about high and low density materials, and by minimizing multiple Coulomb scattering in the proton tracking system.

An evaluation of spatial resolution of a prototype proton CT scanner

PubMed Central

Plautz, Tia E.; Bashkirov, V.; Giacometti, V.; Hurley, R. F.; Piersimoni, P.; Sadrozinski, H. F.-W.; Schulte, R. W.; Zatserklyaniy, A.

2016-01-01

Purpose: To evaluate the spatial resolution of proton CT using both a prototype proton CT scanner and Monte Carlo simulations. Methods: A custom cylindrical edge phantom containing twelve tissue-equivalent inserts with four different compositions at varying radial displacements from the axis of rotation was developed for measuring the modulation transfer function (MTF) of a prototype proton CT scanner. Two scans of the phantom, centered on the axis of rotation, were obtained with a 200 MeV, low-intensity proton beam: one scan with steps of 4°, and one scan with the phantom continuously rotating. In addition, Monte Carlo simulations of the phantom scan were performed using scanners idealized to various degrees. The data were reconstructed using an iterative projection method with added total variation superiorization based on individual proton histories. Edge spread functions in the radial and azimuthal directions were obtained using the oversampling technique. These were then used to obtain the modulation transfer functions. The spatial resolution was defined by the 10% value of the modulation transfer function (MTF10%) in units of line pairs per centimeter (lp/cm). Data from the simulations were used to better understand the contributions of multiple Coulomb scattering in the phantom and the scanner hardware, as well as the effect of discretization of proton location. Results: The radial spatial resolution of the prototype proton CT scanner depends on the total path length, W, of the proton in the phantom, whereas the azimuthal spatial resolution depends both on W and the position, u−, at which the most-likely path uncertainty is evaluated along the path. For protons contributing to radial spatial resolution, W varies with the radial position of the edge, whereas for protons contributing to azimuthal spatial resolution, W is approximately constant. For a pixel size of 0.625 mm, the radial spatial resolution of the image reconstructed from the fully idealized simulation data ranged between 6.31 ± 0.36 lp/cm for W = 197 mm i.e., close to the center of the phantom, and 13.79 ± 0.36 lp/cm for W = 97 mm, near the periphery of the phantom. The azimuthal spatial resolution ranged from 6.99 ± 0.23 lp/cm at u− = 75 mm (near the center) to 11.20 ± 0.26 lp/cm at u− = 20 mm (near the periphery). Multiple Coulomb scattering limits the radial spatial resolution for path lengths greater than approximately 130 mm, and the azimuthal spatial resolution for positions of evaluation greater than approximately 40 mm for W = 199 mm. The radial spatial resolution of the image reconstructed from data from the 4° stepped experimental scan ranged from 5.11 ± 0.61 lp/cm for W = 197 mm to 8.58 ± 0.50 lp/cm for W = 97 mm. In the azimuthal direction, the spatial resolution ranged from 5.37 ± 0.40 lp/cm at u− = 75 mm to 7.27 ± 0.39 lp/cm at u− = 20 mm. The continuous scan achieved the same spatial resolution as that of the stepped scan. Conclusions: Multiple Coulomb scattering in the phantom is the limiting physical factor of the achievable spatial resolution of proton CT; additional loss of spatial resolution in the prototype system is associated with scattering in the proton tracking system and inadequacies of the proton path estimate used in the iterative reconstruction algorithm. Improvement in spatial resolution may be achievable by improving the most likely path estimate by incorporating information about high and low density materials, and by minimizing multiple Coulomb scattering in the proton tracking system. PMID:27908179

Multiscale Analysis in the Compressible Rotating and Heat Conducting Fluids

NASA Astrophysics Data System (ADS)

Kwon, Young-Sam; Maltese, David; Novotný, Antonín

2017-06-01

We consider the full Navier-Stokes-Fourier system under rotation in the singular regime of small Mach and Rossby, and large Reynolds and Péclet numbers, with ill prepared initial data on an infinite straight 3-D layer rotating with respect to the axis orthogonal to the layer. We perform the singular limit in the framework of weak solutions and identify the 2-D Euler-Boussinesq system as the target problem.

Magnetic island and plasma rotation under external resonant magnetic perturbation in the T-10 tokamak

DOE Office of Scientific and Technical Information (OSTI.GOV)

Eliseev, L. G.; Ivanov, N. V., E-mail: ivanov-nv@nrcki.ru; Kakurin, A. M.

2015-05-15

Experimental comparison of the m = 2, n = 1 mode and plasma rotation velocities at q = 2 magnetic surface in a wide range of the mode amplitudes is presented. Phase velocity of the mode rotation is measured with a set of poloidal magnetic field sensors located at the inner side of the vacuum vessel wall. Plasma rotation velocity at the q = 2 magnetic surface in the direction of the mode phase velocity is measured with the heavy ion beam probe diagnostics. In the presence of a static Resonant Magnetic Perturbation (RMP), the rotation is irregular that appears as cyclical variations of the mode and plasmamore » instantaneous velocities. The period of these variations is equal to the period of the mode oscillations. In the case of high mode amplitude, the rotation irregularity of the mode is consistent with the rotation irregularity of the resonant plasma layer. On the contrary, the observed rise of the mode rotation irregularity in the case of low mode amplitude occurs without an increase of the rotation irregularity of the resonant plasma layer. The experimental results are simulated and analyzed with the TEAR code based on the two-fluid MHD approximation. Calculated irregularities of the mode and plasma rotation depend on the mode amplitude similar to the experimental data. For large islands, the rotation irregularity is attributed to oscillations of the electromagnetic torque applied to the resonant plasma layer. For small islands, the deviation of the mode rotation velocity from the plasma velocity occurs due to the effect of finite plasma resistivity.« less

Enhancing Friction Stir Weldability of 6061-T6 Al and AZ31B Mg Alloys Assisted by External Non-rotational Shoulder

NASA Astrophysics Data System (ADS)

Ji, Shude; Huang, Ruofei; Meng, Xiangchen; Zhang, Liguo; Huang, Yongxian

2017-05-01

In order to increase cooling rate and then reduce the amounts of intermetallic compounds, external non-rotational shoulder tool system derived from traditional tool in friction stir welding was used to join dissimilar Al and Mg alloys. In this study, based on the external non-rotational shoulder, the weldability of Al and Mg alloys was significantly improved. The non-rotational shoulder tool is propitious to make more materials into weld, increase cooling rate and then reduce material adhesion of rotational pin, obtaining sound joint with smaller flashes and smooth surface. Importantly, the thickness of intermetallic compounds layer is reduced compared with traditional tool. Meanwhile, hardness values of dissimilar joint present uneven distribution, resulting from complex intercalated structures in nugget zone (NZ) featured by intermetallic compound layers and fine recrystallized Mg and Al grains. Compared with traditional tool, non-rotational shoulder is beneficial to higher tensile properties of joint. Due to the intermetallic compound layer formed in the interface of Al-Mg, the welding joint easily fractures at the NZ, presenting the typical brittle fracture mode.

Electro-osmotic flow in a rotating rectangular microchannel

PubMed Central

Ng, Chiu-On; Qi, Cheng

2015-01-01

An analytical model is presented for low-Rossby-number electro-osmotic flow in a rectangular channel rotating about an axis perpendicular to its own. The flow is driven under the combined action of Coriolis, pressure, viscous and electric forces. Analytical solutions in the form of eigenfunction expansions are developed for the problem, which is controlled by the rotation parameter (or the inverse Ekman number), the Debye parameter, the aspect ratio of the channel and the distribution of zeta potentials on the channel walls. Under the conditions of fast rotation and a thin electric double layer (EDL), an Ekman–EDL develops on the horizontal walls. This is essentially an Ekman layer subjected to electrokinetic effects. The flow structure of this boundary layer as a function of the Ekman layer thickness normalized by the Debye length is investigated in detail in this study. It is also shown that the channel rotation may have qualitatively different effects on the flow rate, depending on the channel width and the zeta potential distributions. Axial and secondary flows are examined in detail to reveal how the development of a geostrophic core may lead to a rise or fall of the mean flow. PMID:26345088

Magnetic anisotropies and rotational hysteresis in Ni81Fe19/Fe50Mn50 films: A study by torque magnetometry and anisotropic magnetoresistance

NASA Astrophysics Data System (ADS)

da Silva, O. E.; de Siqueira, J. V.; Kern, P. R.; Garcia, W. J. S.; Beck, F.; Rigue, J. N.; Carara, M.

2018-04-01

Exchange bias properties of NiFe/FeMn thin films have been investigated through X-ray diffraction, hysteresis loops, angular measurements of anisotropic magnetoresistance (AMR) and magnetic torque. As first predicted by Meiklejohn and Bean we found a decrease on the bias field as the NiFe layer thickness increases. However such reduction is not as strong as expected and it was attributed to the increase on the number of uncompensed antiferromagnetic spins resulting from the increase on the number of FeMn grains at the interface as the thickness of the NiFe layer is increased. The angular evolution of AMR and the magnetic torque were calculated and compared to the experimental ones using the minimization of the free magnetic energy and finding the magnetization equilibrium angle. The free energy, for each grain of the polycrystalline sample, is composed by the following terms: Zeeman, uniaxial, unidirectional and the rotatable energies. While from the AMR curves we obtain stable anisotropy fields independently on the measuring fields, from the torque curves we obtain increasing values of the uniaxial and rotatable fields, as the measuring field is increased. These results were attributed to the physical origin and sensitivity of the two different techniques. Magnetoresistance is mainly sensitive to the inner portion of the ferromagnetic layer, and the torque brings out information of the whole ferromagnetic layer including the interface of the layers. In this way, we believe that the increase in the uniaxial and rotatable values were due to an increase on the volume of the ferromagnetic layer, near the interfaces, which is made to rotate with the measuring field. Studying the rotational hysteresis by both techniques allows to separately obtain the contributions coming from the inner portion of ferromagnetic layer and from the interface.

Counter-rotating accretion discs

NASA Astrophysics Data System (ADS)

Dyda, S.; Lovelace, R. V. E.; Ustyugova, G. V.; Romanova, M. M.; Koldoba, A. V.

2015-01-01

Counter-rotating discs can arise from the accretion of a counter-rotating gas cloud on to the surface of an existing corotating disc or from the counter-rotating gas moving radially inwards to the outer edge of an existing disc. At the interface, the two components mix to produce gas or plasma with zero net angular momentum which tends to free-fall towards the disc centre. We discuss high-resolution axisymmetric hydrodynamic simulations of viscous counter-rotating discs for the cases where the two components are vertically separated and radially separated. The viscosity is described by an isotropic α-viscosity including all terms in the viscous stress tensor. For the vertically separated components, a shear layer forms between them and the middle part of this layer free-falls to the disc centre. The accretion rates are increased by factors of ˜102-104 over that for a conventional disc rotating in one direction with the same viscosity. The vertical width of the shear layer and the accretion rate are strongly dependent on the viscosity and the mass fraction of the counter-rotating gas. In the case of radially separated components where the inner disc corotates and the outer disc rotates in the opposite direction, a gap between the two components opens and closes quasi-periodically. The accretion rates are ≳25 times larger than those for a disc rotating in one direction with the same viscosity.

Pencil beam scanning proton therapy vs rotational arc radiation therapy: A treatment planning comparison for postoperative oropharyngeal cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Apinorasethkul, Ontida, E-mail: Ontida.a@gmail.com; Kirk, Maura; Teo, Kevin

Patients diagnosed with head and neck cancer are traditionally treated with photon radiotherapy. Proton therapy is currently being used clinically and may potentially reduce treatment-related toxicities by minimizing the dose to normal organs in the treatment of postoperative oropharyngeal cancer. The finite range of protons has the potential to significantly reduce normal tissue toxicity compared to photon radiotherapy. Seven patients were planned with both proton and photon modalities. The planning goal for both modalities was achieving the prescribed dose to 95% of the planning target volume (PTV). Dose-volume histograms were compared in which all cases met the target coverage goals.more » Mean doses were significantly lower in the proton plans for the oral cavity (1771 cGy photon vs 293 cGy proton, p < 0.001), contralateral parotid (1796 cGy photon vs 1358 proton, p < 0.001), and the contralateral submandibular gland (3608 cGy photon vs 3251 cGy proton, p = 0.03). Average total integral dose was 9.1% lower in proton plans. The significant dosimetric sparing seen with proton therapy may lead to reduced side effects such as pain, weight loss, taste changes, and dry mouth. Prospective comparisons of protons vs photons for disease control, toxicity, and patient-reported outcomes are therefore warranted and currently being pursued.« less

A novel rotational invariants target recognition method for rotating motion blurred images

NASA Astrophysics Data System (ADS)

Lan, Jinhui; Gong, Meiling; Dong, Mingwei; Zeng, Yiliang; Zhang, Yuzhen

2017-11-01

The imaging of the image sensor is blurred due to the rotational motion of the carrier and reducing the target recognition rate greatly. Although the traditional mode that restores the image first and then identifies the target can improve the recognition rate, it takes a long time to recognize. In order to solve this problem, a rotating fuzzy invariants extracted model was constructed that recognizes target directly. The model includes three metric layers. The object description capability of metric algorithms that contain gray value statistical algorithm, improved round projection transformation algorithm and rotation-convolution moment invariants in the three metric layers ranges from low to high, and the metric layer with the lowest description ability among them is as the input which can eliminate non pixel points of target region from degenerate image gradually. Experimental results show that the proposed model can improve the correct target recognition rate of blurred image and optimum allocation between the computational complexity and function of region.

Using Proton Radiation from the Moon to Probe Regolith Hydrogenation in the Upper 1-10 cm

NASA Astrophysics Data System (ADS)

Schwadron, N.; Wilson, J. K.; Jordan, A.; Looper, M. D.; Zeitlin, C. J.; Townsend, L.; Spence, H. E.; Farrell, W. M.; Petro, N. E.; Stubbs, T. J.; Pieters, C. M.

2017-12-01

Detection of proton radiation from the Moon offers a new observational method for mapping compositional variations over the lunar surface. Recently, it was discovered that the yield of high energy "albedo" proton radiation coming from the lunar regolith due to bombardment by galactic cosmic rays (GCRs) depends on latitude: the yield increases toward higher latitudes. This dependence was attributed to a surface layer of hydrogenated regolith near the poles. Here, an improved technique is developed to use the Cosmic Ray Telescope for the Effects of Radiation (CRaTER) on the Lunar Reconnaissance Orbiter to detect proton radiation from the lunar horizon and from lunar nadir and to use this to investigate diurnal variation in near-surface hydrogenation. Based on measurements taken in 2015, CRaTER observes an average proton albedo rate with a higher yield of protons from the lunar horizon than from the nadir. Both the average proton radiation albedo rate and the excess of proton radiation from the lunar horizon agree well with simulations. The measurements provide further evidence for the existence of the lunar hydrogenation layer. Lastly, CRaTER finds a yield (defined by the proton albedo divided by the GCR input) that is higher on the morning terminator compared to the evening terminator. Based on the observational statistics, there is a significant likelihood that the AM terminator produces a higher yield in the proton radiation albedo than the PM terminator during the period studied. While this presents some possible evidence of an AM enhancement, the excess could also potentially be explained by variation in GCR heavy species (He and heavier species). While initial results of an improved technique for measuring the proton radiation albedo are promising, the observational dataset utilized by CRaTER must be expanded significantly to reduce uncertainties in the search for temporal evolution and the excess of proton radiation from the lunar horizon as we probe hydrogenation excess in the upper 1 - 10 cm lunar regolith.

An all-reflective polarization rotator

NASA Astrophysics Data System (ADS)

Bohus, J.; Budai, Judit; Kalashnikov, M.; Osvay, K.

2017-05-01

The conceptual design and proof of principle experimental results of a polarization rotator based on mirrors are presented. The device is suitable for any-angle, online rotation of the plane of polarization of high peak intensity ultrashort laser pulses. Controllable rotation of the polarization vector of short laser pulses with a broad bandwidth requires achromatic retarding plates which have a limited scalability and the substantial plate thickness can lead to pulse broadening and inaccurate polarization rotation. Polarization rotators based on reflective optical elements are preferable alternatives to wave plates especially when used in high average power or high peak intensity ultra-short laser systems. The control of the polarization state is desirable in many laser-matter interaction experiments e.g., high harmonic and attosecond pulse generation, electron, proton and ion acceleration, electron-positron pair creating, vacuum nonlinear polarization effect. The device can also serve as a beam attenuator, in combination with a linear polarizer.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Bai,M.; Ptitsyn, V.; Roser, T.

To keep the spin tune in the spin depolarizing resonance free region is required for accelerating polarized protons to high energy. In RHIC, two snakes are located at the opposite side of each accelerator. They are configured to yield a spin tune of 1/2. Two pairs of spin rotators are located at either side of two detectors in each ring in RHIC to provide longitudinal polarization for the experiments. Since the spin rotation from vertical to longitudinal is localized between the two rotators, the spin rotators do not change the spin tune. However, due to the imperfection of the orbitsmore » around the snakes and rotators, the spin tune can be shifted. This note presents the impact of the horizontal orbital angle between the two snakes on the spin tune, as well as the effect of the vertical orbital angle between two rotators at either side of the collision point on the spin tune.« less

Molecular dynamics in stiff ionene below glass transition.

PubMed

Makrocka-Rydzyk, M; Glowinkowski, S; Jurga, S; Meyer, W H

1995-08-01

Temperature dependences of proton and fluorine second moments and spin-lattice relaxation time T1 below glass transition were measured in glassy "I-Do,Pip-Me-BF4" ionene. The existence of motions of methyl groups and segments linking the cationic centers, namely piperidinium rings and trimethylene groups, for the polymeric part of ionene were established. Isotropic rotation of the counter-ion was evidenced and its limited diffusion suggested. To interpret the proton and fluorine relaxation data, a Davidson-Cole distribution of correlation times was assumed.

Fuel Cell Using the Protic Ionic Liquid and Rotator Phase Solid Electrolyte Principles

DTIC Science & Technology

2008-07-15

appropriate host for the ionic liquid. (a) Papers published in peer-reviewed journals (N/A for none) [1] Thompson J, Dunn P, Holmes L, Belieres J-P...Names of Post Doctorates PERCENT_SUPPORTEDNAME Jean-Philippe Belieres 0.50 Xiaoguang Sun 0.50 1.00FTE Equivalent: 2Total Number: Names of Faculty...chemical shift for transferred protons (co-worker Jean-Philippe Belieres ) This is a fundamental study of the chemical state of the proton on the cation

Twisted bilayer blue phosphorene: A direct band gap semiconductor

NASA Astrophysics Data System (ADS)

Ospina, D. A.; Duque, C. A.; Correa, J. D.; Suárez Morell, Eric

2016-09-01

We report that two rotated layers of blue phosphorene behave as a direct band gap semiconductor. The optical spectrum shows absorption peaks in the visible region of the spectrum and in addition the energy of these peaks can be tuned with the rotational angle. These findings makes twisted bilayer blue phosphorene a strong candidate as a solar cell or photodetection device. Our results are based on ab initio calculations of several rotated blue phosphorene layers.

On the origin of pure optical rotation in twisted-cross metamaterials

PubMed Central

Barr, Lauren E.; Díaz-Rubio, Ana; Tremain, Ben; Carbonell, Jorge; Sánchez-Dehesa, José; Hendry, Euan; Hibbins, Alastair P.

2016-01-01

We present an experimental and computational study of the response of twisted-cross metamaterials that provide near dispersionless optical rotation across a broad band of frequencies from 19 GHz to 37 GHz. We compare two distinct geometries: firstly, a bilayer structure comprised of arrays of metallic crosses where the crosses in the second layer are twisted about the layer normal; and secondly where the second layer is replaced by the complementary to the original, i.e. an array of cross-shaped holes. Through numerical modelling we determine the origin of rotatory effects in these two structures. In both, pure optical rotation occurs in a frequency band between two transmission minima, where alignment of electric and magnetic dipole moments occurs. In the cross/cross metamaterial, the transmission minima occur at the symmetric and antisymmetric resonances of the coupled crosses. By contrast, in the cross/complementary-cross structure the transmission minima are associated with the dipole and quadrupole modes of the cross, the frequencies of which appear intrinsic to the cross layer alone. Hence the bandwidth of optical rotation is found to be relatively independent of layer separation. PMID:27457405

Incident angle dependence of proton response of CR-39 (TS-16) track detector

NASA Technical Reports Server (NTRS)

Oda, K.; Csige, I.; Yamauchi, T.; Miyake, H.; Benton, E. V.

1993-01-01

The proton response of the TS-16 type of CR-39 plastic nuclear track detector has been studied with accelerated and fast neutron induced protons in vacuum and in air. The diameters of etched tracks were measured as a function of etching time and the etch rate ratio and the etch induction layer were determined from the growth curve of the diameter using a variable etch rate ratio model. In the case of the accelerated protons in vacuum an anomalous incident angle dependence of the response is observed.

A note on boundary-layer pumping

NASA Astrophysics Data System (ADS)

Smith, S. H.

1981-05-01

The simple model of strong blowing across an impulsively started rotating disc is considered. The model shows features present in the two basic problems of spin-up in a circular cylinder and the flow between counter-rotating discs. The role of boundary layer pumping appears to be crucial in both situations.

Proton tracking in a high-granularity Digital Tracking Calorimeter for proton CT purposes

NASA Astrophysics Data System (ADS)

Pettersen, H. E. S.; Alme, J.; Biegun, A.; van den Brink, A.; Chaar, M.; Fehlker, D.; Meric, I.; Odland, O. H.; Peitzmann, T.; Rocco, E.; Ullaland, K.; Wang, H.; Yang, S.; Zhang, C.; Röhrich, D.

2017-07-01

Radiation therapy with protons as of today utilizes information from x-ray CT in order to estimate the proton stopping power of the traversed tissue in a patient. The conversion from x-ray attenuation to proton stopping power in tissue introduces range uncertainties of the order of 2-3% of the range, uncertainties that are contributing to an increase of the necessary planning margins added to the target volume in a patient. Imaging methods and modalities, such as Dual Energy CT and proton CT, have come into consideration in the pursuit of obtaining an as good as possible estimate of the proton stopping power. In this study, a Digital Tracking Calorimeter is benchmarked for proof-of-concept for proton CT purposes. The Digital Tracking Calorimeter was originally designed for the reconstruction of high-energy electromagnetic showers for the ALICE-FoCal project. The presented prototype forms the basis for a proton CT system using a single technology for tracking and calorimetry. This advantage simplifies the setup and reduces the cost of a proton CT system assembly, and it is a unique feature of the Digital Tracking Calorimeter concept. Data from the AGORFIRM beamline at KVI-CART in Groningen in the Netherlands and Monte Carlo simulation results are used to in order to develop a tracking algorithm for the estimation of the residual ranges of a high number of concurrent proton tracks. High energy protons traversing the detector leave a track through the sensor layers. These tracks are spread out through charge diffusion processes. A charge diffusion model is applied for acquisition of estimates of the deposited energy of the protons in each sensor layer by using the size of the charge diffused area. A model fit of the Bragg Curve is applied to each reconstructed track and through this, estimating the residual range of each proton. The range of the individual protons can at present be estimated with a resolution of 4%. The readout system for this prototype is able to handle an effective proton frequency of 1 MHz by using 500 concurrent proton tracks in each readout frame, which is at the high end range of present similar prototypes. A future further optimized prototype will enable a high-speed and more accurate determination of the ranges of individual protons in a therapeutic beam.

On-Orbit Teflon FEP Degradation

NASA Technical Reports Server (NTRS)

Townsend, Jacqueline A.; Hansen, Patricia A.; Dever, Joyce A.

1998-01-01

During the Hubble Space Telescope (HST) Second Servicing Mission (SM2), degradation of unsupported Teflon' FEP (fluorinated ethylene propylene), used as the outer layer of the multi-layer insulation (MLI) blankets, was evident as large cracks on the telescope light shield. A sample of the degraded outer layer was retrieved during the mission and returned to Earth for ground testing and evaluation. The results of the Teflon FEP sample evaluation and additional testing of pristine Teflon FEP led the investigative team to theorize that the HST damage was caused by thermal cycling with deep-layer damage from electron and proton radiation which allowed the propagation of cracks along stress concentrations, and that the damage increased with the combined total dose of electrons, protons, LTV and x-rays along with thermal cycling. This paper discusses the testing and evaluation of the Teflon FEP.

On-Orbit Teflon(trademark) FEP Degradation

NASA Technical Reports Server (NTRS)

Townsend, Jacqueline; Hansen, Patricia A.; Dever, Joyce A.

1999-01-01

During the Hubble Space Telescope (HST) Second Servicing Mission (SM2), degradation of unsupported Teflon(trademark) FEP (fluorinated ethylene propylene), used as the outer layer of the multi-layer insulation (MLI) blankets, was evident as large cracks on the telescope light shield. A sample of the degraded outer layer was retrieved during the mission and returned to Earth for ground testing and evaluation. The results of the Teflon(trademark) FEP sample evaluation and additional testing of pristine Teflon FEP led the investigative team to theorize that the HST damage was caused by thermal cycling with deep-layer damage from electron and proton radiation which allowed the propagation of cracks along stress concentrations, and that the damage increased with the combined total dose of electrons, protons, UV and x-rays along with thermal cycling. This paper discusses the testing and evaluation of the Teflon(trademark) FEP.

Proton gradients produced by glucose oxidase microcapsules containing motor F0F1-ATPase for continuous ATP biosynthesis.

PubMed

Duan, Li; Qi, Wei; Yan, Xuehai; He, Qiang; Cui, Yue; Wang, Kewei; Li, Dongxiang; Li, Junbai

2009-01-15

Glucose oxidase (GOD) microcapsules held together by cross-linker, glutaraldehyde (GA), are fabricated by the layer-by-layer (LbL) assembly technique. The lipid bilayer containing CF(0)F(1)-ATPase was coated on the outer shell of GOD microcapsules. Driven under the proton gradients produced by catalysis of GOD microcapsules for glucose, ATP is synthesized from ADP and inorganic phosphate catalyzed by the ATPase rotary catalysis. The results show here that ATPase reconstituted on the GOD microcapsules retains its catalytic activity.

Impact of non-integer planetary revolutions on the distribution of evaporated optical coatings

DOE PAGES

Oliver, J. B.

2017-02-08

Planetary substrate rotation for optical-coating deposition is evaluated based on initial and final positions for a given layer with different numbers of revolutions and various deposition-source locations. The influence of partial revolutions of the rotation system is analyzed relative to the total number of planetary revolutions in that layer to determine the relative impact on film thickness and uniformity. Furthermore, guidance is provided on the necessary planetary revolutions that should take place in each layer versus the expected error level in the layer thickness for the modeled system.

Wheel-type magnetic refrigerator

DOEpatents

Barclay, J.A.

1983-10-11

The disclosure is directed to a wheel-type magnetic refrigerator capable of cooling over a large temperature range. Ferromagnetic or paramagnetic porous materials are layered circumferentially according to their Curie temperature. The innermost layer has the lowest Curie temperature and the outermost layer has the highest Curie temperature. The wheel is rotated through a magnetic field perpendicular to the axis of the wheel and parallel to its direction of rotation. A fluid is pumped through portions of the layers using inner and outer manifolds to achieve refrigeration of a thermal load. 7 figs.

Entrainment Coefficient and Effective Mass for Conduction Neutrons in Neutron Star Crust:. Macroscopic Treatment

NASA Astrophysics Data System (ADS)

Carter, Brandon; Chamel, Nicolas; Haensel, Pawel

Phenomena such as pulsar frequency glitches are believed to be attributable to differential rotation of a current of "free" superfluid neutrons at densities above the "drip" threshold in the ionic crust of a neutron star. Such relative flow is shown to be locally describable by adaption of a canonical two-fluid treatment that emphasizes the role of the momentum covectors constructed by differentiation of action with respect to the currents, with allowance for stratification whereby the ionic number current may be conserved even when the ionic charge number Z is altered by beta processes. It is demonstrated that the gauge freedom to make different choices of the chemical basis determining which neutrons are counted as "free" does not affect their "superfluid" momentum covector, which must locally have the form of a gradient (though it does affect the "normal" momentum covector characterizing the protons and those neutrons that are considered to be "confined" in the nuclei). It is shown how the effect of "entrainment" (whereby the momentum directions deviate from those of the currents) is controlled by the (gauge-independent) mobility coefficient {K}, estimated in recent microscopical quantum mechanical investigations, which suggest that the corresponding (gauge-dependent) "effective mass" m⋆ of the free neutrons can become very large in some layers. The relation between this treatment of the crust layers and related work (using different definitions of "effective mass") intended for the deeper core layers is discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wang, P; Cammin, J; Solberg, T

Purpose: Proton radiography and proton computed tomography (PCT) can be used to measure proton stopping power directly. However, practical and cost effective proton imaging detectors are not widely available. In this study, the authors investigated the feasibility of proton imaging using a silicon diode array. Methods: A one-dimensional silicon-diode detector array (1DSDA) was aligned with the central axis (CAX) of the proton beam. Polymethyl methacrylate (PMMA) slabs were used to find the correspondence between the water equivalent thickness (WET) and 1DSDA channel number. 2D proton radiographs (PR) were obtained by translation and rotation of a phantom relative to CAX whilemore » the proton nozzle and 1DSDA were kept stationary. A PCT image of one slice of the phantom was reconstructed using filtered backprojection. Results: PR and PCT images of the PMMA cube were successfully acquired using the 1DSDA. The WET of the phantom was measured using PR data with an accuracy of 4.2% or better. Structures down to 1 mm in size could be resolved. Reconstruction of a PCT image showed very good agreement with simulation. Limitations in spatial resolution are attributed to limited spatial sampling, beam collimation, and proton scatter. Conclusion: The results demonstrate the feasibility of using silicon diode arrays for proton imaging. Such a device can potentially offer fast image acquisition, high spatial and energy resolution for PR and PCT.« less

Activities of the Solid State Physics Research Institute

NASA Technical Reports Server (NTRS)

1984-01-01

Three research programs are reviewed. These programs are muon spin rotation, studies of annealing in gallium arsenide and Hall effect studies in semiconductors. The muon spin rotation work centers around the development of a facility at the Alternating Gradient Synchrotron of BNL. Studies of annealing in GaAs concerns itself with the measurement of depolarization in GaAs. The Hall effect studies of proton damaged semiconductors provide new information on the nature of defects and dislocations in GaAs.

Dynamics of paramagnetic agents by off-resonance rotating frame technique in the presence of magnetization transfer effect

NASA Astrophysics Data System (ADS)

Zhang, Huiming; Xie, Yang

2007-02-01

The simple method for measuring the rotational correlation time of paramagnetic ion chelates via off-resonance rotating frame technique is challenged in vivo by the magnetization transfer effect. A theoretical model for the spin relaxation of water protons in the presence of paramagnetic ion chelates and magnetization transfer effect is described. This model considers the competitive relaxations of water protons by the paramagnetic relaxation pathway and the magnetization transfer pathway. The influence of magnetization transfer on the total residual z-magnetization has been quantitatively evaluated in the context of the magnetization map and various difference magnetization profiles for the macromolecule conjugated Gd-DTPA in cross-linked protein gels. The numerical simulations and experimental validations confirm that the rotational correlation time for the paramagnetic ion chelates can be measured even in the presence of strong magnetization transfer. This spin relaxation model also provides novel approaches to enhance the detection sensitivity for paramagnetic labeling by suppressing the spin relaxations caused by the magnetization transfer. The inclusion of the magnetization transfer effect allows us to use the magnetization map as a simulation tool to design efficient paramagnetic labeling targeting at specific tissues, to design experiments running at low RF power depositions, and to optimize the sensitivity for detecting paramagnetic labeling. Thus, the presented method will be a very useful tool for the in vivo applications such as molecular imaging via paramagnetic labeling.

Ultra-thin, single-layer polarization rotator

DOE Office of Scientific and Technical Information (OSTI.GOV)

Son, T. V.; Truong, V. V., E-mail: Truong.Vo-Van@Concordia.Ca; Do, P. A.

We demonstrate light polarization control over a broad spectral range by a uniform layer of vanadium dioxide as it undergoes a phase transition from insulator to metal. Changes in refractive indices create unequal phase shifts on s- and p-polarization components of incident light, and rotation of linear polarization shows intensity modulation by a factor of 10{sup 3} when transmitted through polarizers. This makes possible polarization rotation devices as thin as 50 nm that would be activated thermally, optically or electrically.

SU-G-TeP2-13: Patient-Specific Reduction of Range Uncertainties in Proton Therapy by Proton Radiography with a Multi-Layer Ionization Chamber

DOE Office of Scientific and Technical Information (OSTI.GOV)

Deffet, S; Macq, B; Farace, P

2016-06-15

Purpose: The conversion from Hounsfield units (HU) to stopping powers is a major source of range uncertainty in proton therapy (PT). Our contribution shows how proton radiographs (PR) acquired with a multi-layer ionization chamber in a PT center can be used for accurate patient positioning and subsequently for patient-specific optimization of the conversion from HU to stopping powers. Methods: A multi-layer ionization chamber was used to measure the integral depth-dose (IDD) of 220 MeV pencil beam spots passing through several anthropomorphic phantoms. The whole area of interest was imaged by repositioning the couch and by acquiring a 45×45 mm{sup 2}more » frame for each position. A rigid registration algorithm was implemented to correct the positioning error between the proton radiographs and the planning CT. After registration, the stopping power map obtained from the planning CT with the calibration curve of the treatment planning system was used together with the water equivalent thickness gained from two proton radiographs to generate a phantom-specific stopping power map. Results: Our results show that it is possible to make a registration with submillimeter accuracy from proton radiography obtained by sending beamlets separated by more than 1 mm. This was made possible by the complex shape of the IDD due to the presence of lateral heterogeneities along the path of the beam. Submillimeter positioning was still possible with a 5 mm spot spacing. Phantom specific stopping power maps obtained by minimizing the range error were cross-verified by the acquisition of an additional proton radiography where the phantom was positioned in a random but known manner. Conclusion: Our results indicate that a CT-PR registration algorithm together with range-error based optimization can be used to produce a patient-specific stopping power map. Sylvain Deffet reports financial funding of its PhD thesis by Ion Beam Applications (IBA) during the confines of the study and outside the submitted work. Francois Vander Stappen reports being employed by Ion Beam Applications (IBA) during the confines of the study and outside the submitted work.« less

Optimization, Characterization and Commissioning of a Novel Uniform Scanning Proton Beam Delivery System

NASA Astrophysics Data System (ADS)

Mascia, Anthony Edward

Purpose: To develop and characterize the required detectors for uniform scanning optimization and characterization, and to develop the methodology and assess their efficacy for optimizing, characterizing and commissioning a novel proton beam uniform scanning system. Methods and Materials: The Multi Layer Ion Chamber (MLIC), a 1D array of vented parallel plate ion chambers, was developed in-house for measurement of longitudinal profiles. The Matrixx detector (IBA Dosimetry, Germany) and XOmat V film (Kodak, USA) were characterized for measurement of transverse profiles. The architecture of the uniform scanning system was developed and then optimized and characterized for clinical proton radiotherapy. Results: The MLIC detector significantly increased data collection efficiency without sacrificing data quality. The MLIC was capable of integrating an entire scanned and layer stacked proton field with one measurement, producing results with the equivalent spatial sampling of 1.0mm. The Matrixx detector and modified 1D water phantom jig improved data acquisition efficiency and complemented the film measurements. The proximal, central and distal proton field planes were measured using these methods, yielding better than 3% uniformity. The binary range modulator was programmed, optimized and characterized such that the proton field ranges were separated by approximately 5.0mm modulation width and delivered with an accuracy of 1.0mm in water. Several wobbling magnet scan patterns were evaluated and the raster pattern, spot spacing, scan amplitude and overscan margin were optimized for clinical use. Conclusion: Novel detectors and methods are required for clinically efficient optimization and characterization of proton beam scanning systems. Uniform scanning produces proton beam fields that are suited for clinical proton radiotherapy.

FT-IR study and solvent-implicit and explicit effect on stepwise tautomerism of Guanylurea: M06-2X as a case of study

NASA Astrophysics Data System (ADS)

Karimzadeh, Morteza; Manouchehri, Neda; Saberi, Dariush; Niknam, Khodabakhsh

2018-06-01

All 66 conformers of guanylurea were optimized and frequency calculations were performed at M06-2X/6-311++G(d,p) level of theory. Theses conformers were categorized into five tautomers, and the most stable conformer of each tautomer were found. Geometrical parameters indicated that these tautomers have almost planar structure. Complete stepwise tautomerism were studied through both intramolecular proton transfer routs and internal rotations. Results indicated that the proton transfer routs involving four-membered heterocyclic structures were rate-determining steps. Also, intramolecular proton movement having six-membered transition state structures had very low energy barrier comparable to the transition states of internal rotation routs. Differentiation of studied tautomers could easily be done through their FT-IR spectra in the range of 3200 to 3900 cm-1 by comparing absorption bands and intensity of peaks. Solvent-implicit effects on the stability of tautomers were also studied through re-optimization and frequency calculation in four solvents. Water, DMSO, acetone and toluene had stabilization effect on all considered tautomers, but the order of stabilization effect was as follows: water > DMSO > acetone > toluene. Finally, solvent-explicit, base-explicit and acid-explicit effect were also studied by taking place of studied tautomer nearside of acid, base or solvent and optimization of them. Frequency calculation for proton movement by contribution of explicit effect showed that formic acid had a very strong effect on proton transfer from tautomer A1 to tautomer D8 by lowering the energy barrier from 42.57 to 0.8 kcal/mol. In addition, ammonia-explicit effect was found to lower the barrier from 42.57 to 22.46 kcal/mol, but this effect is lower than that of water and methanol-explicit effect.

Doubling of the Critical Current Density of 2G-YBCO Coated Conductors through proton irradiation

NASA Astrophysics Data System (ADS)

Welp, Ulrich; Jia, Ying; Kwok, Wai-Kwong; Rupich, Marty; Fleshler, Steven; Kayani, Asfghar

2013-03-01

We report on magnetization and transport measurements of the critical current density of commercial 2G YBCO coated conductors before and after proton irradiation. The samples were irradiated along the c-axis with 4 MeV protons to a fluence of 1.5x1016 p/cm2. We find that at temperatures below 50 K, proton irradiation increases Jc by a factor of 2 in low fields and increases up to 2.5 in fields of 7 T. At 77 K, proton irradiation is less effective in enhancing the critical current. Doubling of Jc in fields of several Tesla and at temperatures below 50 K will be highly beneficial for applications of coated conductors in rotating machinery, generators and magnet coils. - Work supported by the US DoE-BES funded Energy Frontier Research Center (YJ), and by Department of Energy, Office of Science, Office of Basic Energy Sciences (UW, WKK), under Contract No. DE-AC02-06CH11357.

Speed and thickness of the magnetopause.

NASA Technical Reports Server (NTRS)

Kaufmann, R. L.; Konradi, A.

1973-01-01

We have used the finite gyroradius of protons with energies greater than 140 keV to determine the location of the magnetopause when the satellite is within the adjacent steep proton flux gradient. This steep gradient region is usually two to four 140-keV proton gyroradii, or about 1000 to 4000 km thick. The measurements described here were made within 45 deg of the earth-sun line on moderately disturbed days, when proton fluxes were unusually high. On these days, the magnetopause usually moves at a speed of less than 20 km/sec. The magnetopause velocity sometimes changes abruptly, while remaining below 20 km/sec. Very rapid (about 50 km/sec) radial motion appears to be associated with the propagation of single, isolated waves along the magnetopause. The thickness of the electric current sheet that produces the magnetic field rotation in the magnetopause is usually on the order of 10 times the gyroradius of a 1-keV proton, or about 1000 km.

Multifluid Simulations of the Global Solar Wind Including Pickup Ions and Turbulence Modeling

NASA Technical Reports Server (NTRS)

Goldstein, Melvyn L.; Usmanov, A. V.

2011-01-01

I will describe a three-dimensional magnetohydrodynamic model of the solar wind that takes into account turbulent heating of the wind by velocity and magnetic fluctuations as well as a variety of effects produced by interstellar pickup protons. The interstellar pickup protons are treated in the model as one fluid and the protons and electrons are treated together as a second fluid. The model equations include a Reynolds decomposition of the plasma velocity and magnetic field into mean and fluctuating quantities, as well as energy transfer from interstellar pickup protons to solar wind protons that results in the deceleration of the solar wind. The model is used to simulate the global steady-state structure of the solar wind in the region from 0.3 to 100 AU. The simulation assumes that the background magnetic field on the Sun is either a dipole (aligned or tilted with respect to the solar rotation axis) or one that is deduced from solar magnetograms.

Torque generation mechanism of ATP synthase

NASA Astrophysics Data System (ADS)

Miller, John; Maric, Sladjana; Scoppa, M.; Cheung, M.

2010-03-01

ATP synthase is a rotary motor that produces adenosine triphosphate (ATP), the chemical currency of life. Our proposed electric field driven torque (EFT) model of FoF1-ATP synthase describes how torque, which scales with the number of c-ring proton binding sites, is generated by the proton motive force (pmf) across the mitochondrial inner membrane. When Fo is coupled to F1, the model predicts a critical pmf to drive ATP production. In order to fully understand how the electric field resulting from the pmf drives the c-ring to rotate, it is important to examine the charge distributions in the protonated c-ring and a-subunit containing the proton channels. Our calculations use a self-consistent field approach based on a refinement of reported structural data. The results reveal changes in pKa for key residues on the a-subunit and c-ring, as well as titration curves and protonation state energy diagrams. Health implications will be briefly discussed.

[Initial experience of proton beam therapy at the new facility of the University of Tsukuba].

PubMed

Kagei, Kenji; Tokuuye, Koichi; Sugahara, Shinji; Hata, Masaharu; Igaki, Hiroshi; Hashimoto, Takayuki; Ohara, Kiyoshi; Akine, Yasuyuki

2004-05-01

To present the initial experience with proton beam therapy at the new Proton Medical Research Center (PMRC) of the University of Tsukuba. The new facility has a synchrotron with maximum energy of 250MeV and two rotational gantries. We treated 105 patients with 120 lesions with proton beams in the first year, beginning in September 2001. The most common lesion treated was primary liver cancer (40 lesions) followed by lung cancer, head and neck cancers, and prostate cancer. Concurrent X-ray radiotherapy was given for 38 of the 120 lesions. The median follow-up period was 11 months (range, 1-19 months). Of the 105 patients, 97% had Grade 0-2 RTOG/EORTC acute morbidities, while the remaining 3% had Grade 3. Tumor response after irradiation was CR for 35% of the lesions, PR for 25%, SD for 22%, PD for 9%, and not evaluated for 9%. The proton beam therapy conducted at the new facility of the University of Tsukuba was safe and effective.

Fluid signatures of rotational discontinuities at Earth's magnetopause

NASA Technical Reports Server (NTRS)

Scudder, J. D.

1983-01-01

Fluid signatures in the MHD approximation at rotational discontinuities (RD) of finite width called rotational shear layers (RSL) are examined for general flow and magnetic geometries. Analytical and geometrical arguments illustrate that the fluid speed can either go up or down across an RSL for a fixed normal mass flux. The speed profile may or may not be monotonic depending on the boundary conditions. The flow velocity may or may not be field aligned or ""jetting'' as a result of traversing the RSL. In general, significant ""convection'' is expected in the layer. The observable signatures of (MHD) RSL's depend on 7 (boundary condition) parameters are (1) the mass density, (2 to 5) the incident normal and transverse components of the magnetic field and fluid velocity, (6) the angle epsilon between the incident tangential flow velocity and tangential magnetic field, and (7) the size of the magnetic angular rotation implemented by the layer delta phi.

Changes of crop rotation in Iowa determined from the USDA-NASS cropland data layer product

USDA-ARS?s Scientific Manuscript database

Crop rotation is one of the important decisions made independently by numerous farm managers, and is a critical variable in models of crop growth and soil carbon. By combining multiple years (2001-2009) of the USDA National Agricultural Statistics Service (NASS) cropland data layer (CDL), it is pos...

Impact of the Tilted Detector Solenoid on the Ion Polarization at JLEIC

DOE PAGES

Kondratenko, A. M.; Kondratenko, M. A.; Filatov, Yu N.; ...

2017-12-01

Jefferson Lab Electron Ion Collider (JLEIC) is a figure-8 collider "transparent" to the spin. This allows one to control the ion polarization using a universal 3D spin rotator based on weak solenoids. Besides the 3D spin rotator, a coherent effect on the spin is produced by a detector solenoid together with the dipole correctors and anti-solenoids compensating betatron oscillation coupling. The 4 m long detector solenoid is positioned along a straight section of the electron ring and makes a 50 mrad horizontal angle with a straight section of the ion ring. Such a large crossing angle is needed for amore » quick separation of the two colliding beams near the interaction point to make sufficient space for placement of interaction region magnets and to avoid parasitic collisions of shortly-spaced 476 MHz electron and ion bunches. We present a numerical analysis of the detector solenoid effect on the proton and deuteron polarizations. We demonstrate that the effect of the detector solenoid on the proton and deuteron polarizations can be compensated globally using an additional 3D rotator located anywhere in the ring.« less

Study of the β- decay of 116m1In: A new interpretation of low-lying 0+ states in 116Sn

NASA Astrophysics Data System (ADS)

Pore, J. L.; Cross, D. S.; Andreoiu, C.; Ashley, R.; Ball, G. C.; Bender, P. C.; Chester, A. S.; Diaz Varela, A.; Demand, G. A.; Dunlop, R.; Garnsworthy, A. B.; Garrett, P. E.; Hackman, G.; Hadinia, B.; Jigmeddorj, B.; Laffoley, A. T.; Liblong, A.; Kanungo, R.; Noakes, B.; Petrache, C. M.; Rajabali, M. M.; Starosta, K.; Svensson, C. E.; Voss, P. J.; Wang, Z. M.; Wood, J. L.; Yates, S. W.

2017-02-01

The 116Sn nucleus contains a collective rotational band originating from proton π 2 p-2 h excitations across the proton Z=50 shell gap. Even though this nucleus has been extensively investigated in the past, there was still missing information on the low-energy interband transitions connecting the intruder and normal structures. The low-lying structure of 116Sn was investigated through a high-statistics study of the β- decay of 116m1In with the 8π spectrometer and its ancillary detectors at TRIUMF. These measurements are critical in order to properly characterize the π 2 p-2 h rotational band. Weak γ-decay branches are observed utilizing γ-γ coincidence spectroscopy methods, leading to the first direct observation of the 85 keV 22+→ 03+ γ ray with a transition strength of B(E2) = 99.7(84) W.u. The analysis of these results strongly suggests that the 2027 keV 03+ state should replace the previously assigned 1757 keV 02+ state as the band-head of the π 2 p-2 h rotational band.

Impact of the Tilted Detector Solenoid on the Ion Polarization at JLEIC

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kondratenko, A. M.; Kondratenko, M. A.; Filatov, Yu N.

Jefferson Lab Electron Ion Collider (JLEIC) is a figure-8 collider "transparent" to the spin. This allows one to control the ion polarization using a universal 3D spin rotator based on weak solenoids. Besides the 3D spin rotator, a coherent effect on the spin is produced by a detector solenoid together with the dipole correctors and anti-solenoids compensating betatron oscillation coupling. The 4 m long detector solenoid is positioned along a straight section of the electron ring and makes a 50 mrad horizontal angle with a straight section of the ion ring. Such a large crossing angle is needed for amore » quick separation of the two colliding beams near the interaction point to make sufficient space for placement of interaction region magnets and to avoid parasitic collisions of shortly-spaced 476 MHz electron and ion bunches. We present a numerical analysis of the detector solenoid effect on the proton and deuteron polarizations. We demonstrate that the effect of the detector solenoid on the proton and deuteron polarizations can be compensated globally using an additional 3D rotator located anywhere in the ring.« less

Rotational Energy as Mass in H3 + and Lower Limits on the Atomic Masses of D and 3He

NASA Astrophysics Data System (ADS)

Smith, J. A.; Hamzeloui, S.; Fink, D. J.; Myers, E. G.

2018-04-01

We have made precise measurements of the cyclotron frequency ratios H3 +/HD+ and H3 +/ 3He+ and observe that different H3+ ions result in different cyclotron frequency ratios. We interpret these differences as due to the molecular rotational energy of H3 + changing its inertial mass. We also confirm that certain high J , K rotational levels of H3+ have mean lifetimes exceeding several weeks. From measurements with the lightest H3+ ion we obtain lower limits on the atomic masses of deuterium and helium-3 with respect to the proton.

SU-E-T-110: An Investigation On Monitor Unit Threshold and Effects On IMPT Delivery in Proton Pencil Beam Planning System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Syh, J; Ding, X; Syh, J

2015-06-15

Purpose: An approved proton pencil beam scanning (PBS) treatment plan might not be able to deliver because of existed extremely low monitor unit per beam spot. A dual hybrid plan with higher efficiency of higher spot monitor unit and the efficacy of less number of energy layers were searched and optimized. The range of monitor unit threshold setting was investigated and the plan quality was evaluated by target dose conformity. Methods: Certain limitations and requirements need to be checks and tested before a nominal proton PBS treatment plan can be delivered. The plan needs to be met the machine characterization,more » specification in record and verification to deliver the beams. Minimal threshold of monitor unit, e.g. 0.02, per spot was set to filter the low counts and plan was re-computed. Further MU threshold increment was tested in sequence without sacrificing the plan quality. The number of energy layer was also alternated due to elimination of low count layer(s). Results: Minimal MU/spot threshold, spot spacing in each energy layer and total number of energy layer and the MU weighting of beam spots of each beam were evaluated. Plan optimization between increases of the spot MU (efficiency) and less energy layers of delivery (efficacy) was adjusted. 5% weighting limit of total monitor unit per beam was feasible. Scarce spreading of beam spots was not discouraging as long as target dose conformity within 3% criteria. Conclusion: Each spot size is equivalent to the relative dose in the beam delivery system. The energy layer is associated with the depth of the targeting tumor. Our work is crucial to maintain the best possible quality plan. To keep integrity of all intrinsic elements such as spot size, spot number, layer number and the carried weighting of spots in each layer is important in this study.« less

Symmetry of extremely floppy molecules: Molecular states beyond rotation-vibration separation

NASA Astrophysics Data System (ADS)

Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per

2015-10-01

Traditionally, molecules are theoretically described as near-static structures rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in highly fluxional molecules, where all vibrational motions have amplitudes comparable in size to the linear dimensions of the molecule. An example is protonated methane (CH 5+ ) [P. Kumar and D. Marx, Phys. Chem. Chem. Phys. 8, 573 (2006); Z. Jin et al., J. Phys. Chem. A 110, 1569 (2006); and A. S. Petit et al., J. Phys. Chem. A 118, 7206 (2014)]. For these molecules, customary theory fails to simulate reliably even the low-energy spectrum [T. Oka, Science 347, 1313-1314 (2015) and O. Asvany et al., Science 347, 1346-1349 (2015)]. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group [P. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy, NRC Monograph Publishing Program (NRC Research Press, 2006)]. In this article, we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are isomorphic to subgroups of the special orthogonal group in three dimensions SO(3). This leads to a group theoretical foundation of the technique of equivalent rotations [H. Longuet-Higgins, Mol. Phys. 6, 445 (1963)]. The group G240 (the MS group of protonated methane) represents, to the best of our knowledge, the first example of a MS group which is not isomorphic to a subgroup of SO(3) (nor of O(3) or of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We discuss here the consequences of this. In conclusion, we show that the prototypical, extremely floppy molecule CH 5+ represents a new class of molecules, where customary group theoretical methods for determining selection rules and spectral assignments fail so that new methods have to be developed.

Proton-bound dimers of nitrogen heterocyclic molecules: Substituent effects on the structures and binding energies of homodimers of diazine, triazine, and fluoropyridine

DOE Office of Scientific and Technical Information (OSTI.GOV)

Attah, Isaac K.; Platt, Sean P.; Meot-Ner, Michael

2014-03-21

The bonding energies of proton-bound homodimers BH{sup +}B were measured by ion mobility equilibrium studies and calculated at the DFT B3LYP/6-311++G{sup **} level, for a series of nitrogen heterocyclic molecules (B) with electron-withdrawing in-ring N and on-ring F substituents. The binding energies (ΔH°{sub dissoc}) of the proton-bound dimers (BH{sup +}B) vary significantly, from 29.7 to 18.1 kcal/mol, decreasing linearly with decreasing the proton affinity of the monomer (B). This trend differs significantly from the constant binding energies of most homodimers of other organic nitrogen and oxygen bases. The experimentally measured ΔH°{sub dissoc} for (1,3-diazine){sub 2}H{sup +}, i.e., (pyrimidine){sub 2}H{sup +}more » and (3-F-pyridine){sub 2}H{sup +} are 22.7 and 23.0 kcal/mol, respectively. The measured ΔH°{sub dissoc} for the pyrimidine{sup ·+}(3-F-pyridine) radical cation dimer (19.2 kcal/mol) is signifcantly lower than that of the proton-bound homodimers of pyrimidine and 3-F-pyridine, reflecting the stronger interaction in the ionic H-bond of the protonated dimers. The calculated binding energies for (1,2-diazine){sub 2}H{sup +}, (pyridine){sub 2}H{sup +}, (2-F-pyridine){sub 2}H{sup +}, (3-F-pyridine){sub 2}H{sup +}, (2,6-di-F-pyridine){sub 2}H{sup +}, (4-F-pyridine){sub 2}H{sup +}, (1,3-diazine){sub 2}H{sup +}, (1,4-diazine){sub 2}H{sup +}, (1,3,5-triazine){sub 2}H{sup +}, and (pentafluoropyridine){sub 2}H{sup +} are 29.7, 24.9, 24.8, 23.3, 23.2, 23.0, 22.4, 21.9, 19.3, and 18.1 kcal/mol, respectively. The electron-withdrawing substituents form internal dipoles whose electrostatic interactions contribute to both the decreased proton affinities of (B) and the decreased binding energies of the protonated dimers BH{sup +}B. The bonding energies also vary with rotation about the hydrogen bond, and they decrease in rotamers where the internal dipoles of the components are aligned efficiently for inter-ring repulsion. For compounds substituted at the 3 or 4 (meta or para) positions, the lowest energy rotamers are T-shaped with the planes of the two rings rotated by 90° about the hydrogen bond, while the planar rotamers are weakened by repulsion between the ortho hydrogen atoms of the two rings. Conversely, in ortho-substituted (1,2-diazine){sub 2}H{sup +} and (2-F-pyridine){sub 2}H{sup +}, attractive interactions between the ortho (C–H) hydrogen atoms of one ring and the electronegative ortho atoms (N or F) of the other ring are stabilizing, and increase the protonated dimer binding energies by up to 4 kcal/mol. In all of the dimers, rotation about the hydrogen bond can involve a 2–4 kcal/mol barrier due to the relative energies of the rotamers.« less

Technical Note: Using experimentally determined proton spot scanning timing parameters to accurately model beam delivery time.

PubMed

Shen, Jiajian; Tryggestad, Erik; Younkin, James E; Keole, Sameer R; Furutani, Keith M; Kang, Yixiu; Herman, Michael G; Bues, Martin

2017-10-01

To accurately model the beam delivery time (BDT) for a synchrotron-based proton spot scanning system using experimentally determined beam parameters. A model to simulate the proton spot delivery sequences was constructed, and BDT was calculated by summing times for layer switch, spot switch, and spot delivery. Test plans were designed to isolate and quantify the relevant beam parameters in the operation cycle of the proton beam therapy delivery system. These parameters included the layer switch time, magnet preparation and verification time, average beam scanning speeds in x- and y-directions, proton spill rate, and maximum charge and maximum extraction time for each spill. The experimentally determined parameters, as well as the nominal values initially provided by the vendor, served as inputs to the model to predict BDTs for 602 clinical proton beam deliveries. The calculated BDTs (T BDT ) were compared with the BDTs recorded in the treatment delivery log files (T Log ): ∆t = T Log -T BDT . The experimentally determined average layer switch time for all 97 energies was 1.91 s (ranging from 1.9 to 2.0 s for beam energies from 71.3 to 228.8 MeV), average magnet preparation and verification time was 1.93 ms, the average scanning speeds were 5.9 m/s in x-direction and 19.3 m/s in y-direction, the proton spill rate was 8.7 MU/s, and the maximum proton charge available for one acceleration is 2.0 ± 0.4 nC. Some of the measured parameters differed from the nominal values provided by the vendor. The calculated BDTs using experimentally determined parameters matched the recorded BDTs of 602 beam deliveries (∆t = -0.49 ± 1.44 s), which were significantly more accurate than BDTs calculated using nominal timing parameters (∆t = -7.48 ± 6.97 s). An accurate model for BDT prediction was achieved by using the experimentally determined proton beam therapy delivery parameters, which may be useful in modeling the interplay effect and patient throughput. The model may provide guidance on how to effectively reduce BDT and may be used to identifying deteriorating machine performance. © 2017 American Association of Physicists in Medicine.

Freely-tunable broadband polarization rotator for terahertz waves

NASA Astrophysics Data System (ADS)

Peng, Ru-Wen; Fan, Ren-Hao; Zhou, Yu; Jiang, Shang-Chi; Xiong, Xiang; Huang, Xian-Rong; Wang, Mu

It is known that commercially-available terahertz (THz) emitters usually generate linearly polarized waves only along certain directions, but in practice, a polarization rotator that is capable of rotating the polarization of THz waves to any direction is particularly desirable and it will have various important applications. In this work, we demonstrate a freely tunable polarization rotator for broadband THz waves using a three-rotating-layer metallic grating structure, which can conveniently rotate the polarization of a linearly polarized THz wave to any desired direction with nearly perfect conversion efficiency. The device performance has been experimentally demonstrated by both THz transmission spectra and direct imaging. The polarization rotation originates from multi wave interference in the three-layer grating structure based on the scattering-matrix analysis. We can expect that this active broadband polarization rotator has wide applications in analytical chemistry, biology, communication technology, imaging, etc.. Reference: R. H. Fan, Y. Zhou, X. P. Ren, R. W. Peng, S. C. Jiang, D. H. Xu, X. Xiong, X. R. Huang, and Mu Wang, Advanced Materials 27,1201(2015). Freely-tunable broadband polarization rotator for terahertz waves.

A novel cobalt-free layered GdBaFe 2O 5+ δ cathode for proton conducting solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Ding, Hanping; Xue, Xingjian

While cobalt-containing perovskite-type cathode materials facilitate the activation of oxygen reduction, they also suffer from problems like poor chemical stability in CO 2 and high thermal expansion coefficients. In this research, a cobalt-free layered GdBaFe 2O 5+ δ (GBF) perovskite was developed as a cathode material for protonic ceramic membrane fuel cells (PCMFCs) based on proton conducting electrolyte of stable BaZr 0.1Ce 0.7Y 0.2O 3- δ (BZCY7). The button cells of Ni-BZCY7|BZCY7|GBF were fabricated and characterized using complex impedance technique from 600 to 700 °C. An open-circuit potential of 1.007 V, maximum power density of 417 mW cm -2, and a low electrode polarization resistance of 0.18 Ω cm 2 were achieved at 700 °C. The results indicate that layered GBF perovskite is a good candidate for cobalt-free cathode material, while the developed Ni-BZCY7|BZCY7|GBF cell is a promising functional material system for solid oxide fuel cells.

Effects of proton irradiation on thin-film materials for optical filters

NASA Astrophysics Data System (ADS)

Scaglione, Salvatore; Piegari, Angela; Sytchkova, Anna; Jakšić, Milko

2017-11-01

The behaviour of interference optical filters for space applications has been investigated under low energy proton irradiation. In order to understand the behaviour of the interference coating subjected to proton irradiation, the interaction of protons with coating and substrate was simulated by the SRIM code. A beam of protons of 60 KeV with an integrated fluence of 1013 p+/cm2 was used. The spectral transmittances of fused silica, TiO2 and HfO2 single layers and interference coatings were measured before and after irradiation and, according to simulations, no significant effects were detected in the visible-near infrared spectrum, while some variations appeared at shorter wavelengths.

Percolation in a Proton Exchange Membrane Fuel Cell Catalyst Layer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stacy, Stephen; Allen, Jeffrey

Water management in the catalyst layers of proton exchange membrane fuel cells (PEMFC) is confronted by two issues, flooding and dry out, both of which result in improper functioning of the fuel cell and lead to poor performance and degradation. At the present time, the data that has been reported about water percolation and wettability within a fuel cell catalyst layer is limited. A method and apparatus for measuring the percolation pressure in the catalyst layer has been developed based upon an experimental apparatus used to test water percolation in porous transport layers (PTL). The experimental setup uses a pseudomore » Hele-Shaw type testing where samples are compressed and a fluid is injected into the sample. Testing the samples gives percolation pressure plots which show trends in increasing percolation pressure with an increase in flow rate. A decrease in pressure was seen as percolation occurred in one sample, however the pressure only had a rising effect in the other sample.« less

Single-layer nanosheets with exceptionally high and anisotropic hydroxyl ion conductivity

PubMed Central

Sun, Pengzhan; Ma, Renzhi; Bai, Xueyin; Wang, Kunlin; Zhu, Hongwei; Sasaki, Takayoshi

2017-01-01

When the dimensionality of layered materials is reduced to the physical limit, an ultimate two-dimensional (2D) anisotropy and/or confinement effect may bring about extraordinary physical and chemical properties. Layered double hydroxides (LDHs), bearing abundant hydroxyl groups covalently bonded within 2D host layers, have been proposed as inorganic anion conductors. However, typical hydroxyl ion conductivities for bulk or lamellar LDHs, generally up to 10−3 S cm−1, are considered not high enough for practical applications. We show that single-layer LDH nanosheets exhibited exceptionally high in-plane conductivities approaching 10−1 S cm−1, which were the highest among anion conductors and comparable to proton conductivities in commercial proton exchange membranes (for example, Nafion). The in-plane conductivities were four to five orders of magnitude higher than the cross-plane or cross-membrane values of restacked LDH nanosheets. This 2D superionic transport characteristic might have great promises in a variety of applications including alkaline fuel cells and water electrolysis. PMID:28439551

TH-C-19A-01: Analytic Design Method to Make a 2D Planar, Segmented Ion Chamber Water-Equivalent for Proton Dose Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Harris, W; Hollebeek, R; Teo, B

2014-06-15

Purpose: Quality Assurance (QA) measurements of proton therapy fields must accurately measure steep longitudinal dose gradients as well as characterize the dose distribution laterally. Currently, available devices for two-dimensional field measurements perturb the dose distribution such that routine QA measurements performed at multiple depths require multiple field deliveries and are time consuming. Methods: A design procedure for a two-dimensional detector array is introduced whereby the proton energy loss and scatter are adjusted so that the downstream dose distribution is maintained to be equivalent to that which would occur in uniform water. Starting with the design for an existing, functional two-dimensionalmore » segmented ion chamber prototype, a compensating material is introduced downstream of the detector to simultaneously equate the energy loss and lateral scatter in the detector assembly to the values in water. An analytic formalism and procedure is demonstrated to calculate the properties of the compensating material in the general case of multiple layers of arbitrary material. The resulting design is validated with Monte Carlo simulations. Results: With respect to the specific prototype design considered, the results indicate that a graphite compensating layer of the proper dimensions can yield proton beam range perturbation less than 0.1mm and beam sigma perturbation less than 2% across the energy range of therapeutic proton beams. Conclusion: We have shown that, for a 2D gas-filled detector array, a graphite-compensating layer can balance the energy loss and multiple Coulomb scattering relative to uniform water. We have demonstrated an analytic formalism and procedure to determine a compensating material in the general case of multiple layers of arbitrary material. This work was supported by the US Army Medical Research and Materiel Command under Contract Agreement No. DAMD17-W81XWH-04-2-0022. Opinions, interpretations, conclusions and recommendations are those of the author and are not necessarily endorsed by the US Army.« less

Integration of quantum cascade lasers and passive waveguides

DOE Office of Scientific and Technical Information (OSTI.GOV)

Montoya, Juan, E-mail: juan.montoya@ll.mit.edu; Wang, Christine; Goyal, Anish

2015-07-20

We report on monolithic integration of active quantum cascade laser (QCL) materials with passive waveguides formed by using proton implantation. Proton implantation reduces the electron concentration in the QCL layers by creating deep levels that trap carriers. This strongly reduces the intersubband absorption and the free-carrier absorption in the gain region and surrounding layers, thus significantly reducing optical loss. We have measured loss as low as α = 0.33 cm{sup −1} in λ = 9.6 μm wavelength proton-implanted QCL material. We have also demonstrated lasing in active-passive integrated waveguides. This simple integration technique is anticipated to enable low-cost fabrication in infrared photonic integrated circuits in themore » mid-infrared (λ ∼ 3–16 μm)« less

On-Orbit Teflon(trademark) FEP Degradation

NASA Technical Reports Server (NTRS)

Townsend, Jacqueline A.; Hansen, Patricia A.; Dever, Joyce A.

1998-01-01

During the Hubble Space Telescope (HST) Second Servicing Mission (SM2), degradation of unsupported Teflon(trademark) FEP (fluorinated ethylene propylene), used as the outer layer of the multi-layer insulation (MLI) blankets, was evident as large cracks on the telescope light shield. A sample of the degraded outer layer was retrieved during the mission and returned to Earth for ground testing and evaluation. The results of the Teflon(trademark) FEP sample evaluation and additional testing of pristine Teflon(trademark) FEP led the investigative team to theorize that the HST damage was caused by thermal cycling with deep-layer damage from electron and proton radiation which allowed the propagation of cracks along stress concentrations, and that the damage increased with the combined total dose of electrons, protons, UV and x-rays along with thermal cycling. This paper discusses the testing and evaluation of the Teflon(trademark) FEP.

Neutron-driven gamma-ray laser

DOEpatents

Bowman, Charles D.

1990-01-01

A lasing cylinder emits laser radiation at a gamma-ray wavelength of 0.87 .ANG. when subjected to an intense neutron flux of about 400 eV neutrons. A 250 .ANG. thick layer of Be is provided between two layers of 100 .ANG. thick layer of .sup.57 Co and these layers are supported on a foil substrate. The coated foil is coiled to form the lasing cylinder. Under the neutron flux .sup.57 Co becomes .sup.58 Co by neutron absorption. The .sup.58 Co then decays to .sup.57 Fe by 1.6 MeV proton emission. .sup.57 Fe then transitions by mesne decay to a population inversion for lasing action at 14.4 keV. Recoil from the proton emission separates the .sup.57 Fe from the .sup.57 Co and into the Be, where Mossbauer emission occurs at a gamma-ray wavelength.

Two-dimensional potential double layers and discrete auroras

NASA Technical Reports Server (NTRS)

Kan, J. R.; Lee, L. C.; Akasofu, S.-I.

1979-01-01

This paper is concerned with the formation of the acceleration region for electrons which produce the visible auroral arc and with the formation of the inverted V precipitation region. The former is embedded in the latter, and both are associated with field-aligned current sheets carried by plasma sheet electrons. It is shown that an electron current sheet driven from the plasma sheet into the ionosphere leads to the formation of a two-dimensional potential double layer. For a current sheet of a thickness less than the proton gyrodiameter solutions are obtained in which the field-aligned potential drop is distributed over a length much greater than the Debye length. For a current sheet of a thickness much greater than the proton gyrodiameter solutions are obtained in which the potential drop is confined to a distance on the order of the Debye length. The electric field in the two-dimensional double-layer model is the zeroth-order field inherent to the current sheet configuration, in contrast to those models in which the electric field is attributed to the first-order field due to current instabilities or turbulences. The maximum potential in the two-dimensional double-layer models is on the order of the thermal energy of plasma sheet protons, which ranges from 1 to 10 keV.

Protonated Nitrous Oxide, NNOH(+): Fundamental Vibrational Frequencies and Spectroscopic Constants from Quartic Force Fields

NASA Technical Reports Server (NTRS)

Huang, Xinchuan; Fortenberry, Ryan C.; Lee, Timothy J.

2013-01-01

The interstellar presence of protonated nitrous oxide has been suspected for some time. Using established high-accuracy quantum chemical techniques, spectroscopic constants and fundamental vibrational frequencies are provided for the lower energy O-protonated isomer of this cation and its deuterated isotopologue. The vibrationally-averaged B0 and C0 rotational constants are within 6 MHz of their experimental values and the D(subJ) quartic distortion constants agree with experiment to within 3%. The known gas phase O-H stretch of NNOH(+) is 3330.91 cm(exp-1), and the vibrational configuration interaction computed result is 3330.9 cm(exp-1). Other spectroscopic constants are also provided, as are the rest of the fundamental vibrational frequencies for NNOH(+) and its deuterated isotopologue. This high-accuracy data should serve to better inform future observational or experimental studies of the rovibrational bands of protonated nitrous oxide in the ISM and the laboratory.

The influence of patient positioning uncertainties in proton radiotherapy on proton range and dose distributions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Liebl, Jakob, E-mail: jakob.liebl@medaustron.at; Francis H. Burr Proton Therapy Center, Massachusetts General Hospital and Harvard Medical School, Boston, Massachusetts 02114; Department of Therapeutic Radiology and Oncology, Medical University of Graz, 8036 Graz

2014-09-15

Purpose: Proton radiotherapy allows radiation treatment delivery with high dose gradients. The nature of such dose distributions increases the influence of patient positioning uncertainties on their fidelity when compared to photon radiotherapy. The present work quantitatively analyzes the influence of setup uncertainties on proton range and dose distributions. Methods: Thirty-eight clinical passive scattering treatment fields for small lesions in the head were studied. Dose distributions for shifted and rotated patient positions were Monte Carlo-simulated. Proton range uncertainties at the 50%- and 90%-dose falloff position were calculated considering 18 arbitrary combinations of maximal patient position shifts and rotations for two patientmore » positioning methods. Normal tissue complication probabilities (NTCPs), equivalent uniform doses (EUDs), and tumor control probabilities (TCPs) were studied for organs at risk (OARs) and target volumes of eight patients. Results: The authors identified a median 1σ proton range uncertainty at the 50%-dose falloff of 2.8 mm for anatomy-based patient positioning and 1.6 mm for fiducial-based patient positioning as well as 7.2 and 5.8 mm for the 90%-dose falloff position, respectively. These range uncertainties were correlated to heterogeneity indices (HIs) calculated for each treatment field (38% < R{sup 2} < 50%). A NTCP increase of more than 10% (absolute) was observed for less than 2.9% (anatomy-based positioning) and 1.2% (fiducial-based positioning) of the studied OARs and patient shifts. For target volumes TCP decreases by more than 10% (absolute) occurred in less than 2.2% of the considered treatment scenarios for anatomy-based patient positioning and were nonexistent for fiducial-based patient positioning. EUD changes for target volumes were up to 35% (anatomy-based positioning) and 16% (fiducial-based positioning). Conclusions: The influence of patient positioning uncertainties on proton range in therapy of small lesions in the human brain as well as target and OAR dosimetry were studied. Observed range uncertainties were correlated with HIs. The clinical practice of using multiple fields with smeared compensators while avoiding distal OAR sparing is considered to be safe.« less

SU-G-JeP2-15: Proton Beam Behavior in the Presence of Realistic Magnet Fields

DOE Office of Scientific and Technical Information (OSTI.GOV)

Santos, D M; Wachowicz, K; Fallone, B G

2016-06-15

Purpose: To investigate the effects of magnetic fields on proton therapy beams for integration with MRI. Methods: 3D magnetic fields from an open-bore superconducting MRI model (previously developed by our group) and 3D magnetic fields from an in-house gradient coil design were applied to various mono energetic proton pencil beam (80MeV to 250MeV) simulations. In all simulations, the z-axis of the simulation geometry coincided with the direction of the B0 field and magnet isocentre. In each simulation, the initial beam trajectory was varied. The first set of simulations performed was based on analytic magnetic force equations (analytic simulations), which couldmore » be rapidly calculated yet were limited to propagating proton beams in vacuum. The second set is full Monte Carlo (MC) simulations, which used GEANT4 MC toolkit. Metrics such as the beam position and dose profiles were extracted. Comparisons between the cases with and without magnetic fields present were made. Results: The analytic simulations served as verification checks for the MC simulations when the same simulation geometries were used. The results of the analytic simulations agreed with the MC simulations performed in vacuum. The presence of the MRI’s static magnetic field causes proton pencil beams to follow a slight helical trajectory when there were some initial off-axis components. The 80MeV, 150MeV, and 250MeV proton beams rotated by 4.9o, 3.6o, and 2.8o, respectively, when they reached z=0cm. The deflections caused by gradient coils’ magnetic fields show spatially invariant patterns with a maximum range of 0.5mm at z=0cm. Conclusion: This investigation reveals that both the MRI’s B0 and gradient magnetic fields can cause small but observable deflections of proton beams at energies studied. The MRI’s static field caused a rotation of the beam while the gradient coils’ fields effects were spatially invariant. Dr. B Gino Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization)« less

The influence of patient positioning uncertainties in proton radiotherapy on proton range and dose distributions

PubMed Central

Liebl, Jakob; Paganetti, Harald; Zhu, Mingyao; Winey, Brian A.

2014-01-01

Purpose: Proton radiotherapy allows radiation treatment delivery with high dose gradients. The nature of such dose distributions increases the influence of patient positioning uncertainties on their fidelity when compared to photon radiotherapy. The present work quantitatively analyzes the influence of setup uncertainties on proton range and dose distributions. Methods: Thirty-eight clinical passive scattering treatment fields for small lesions in the head were studied. Dose distributions for shifted and rotated patient positions were Monte Carlo-simulated. Proton range uncertainties at the 50%- and 90%-dose falloff position were calculated considering 18 arbitrary combinations of maximal patient position shifts and rotations for two patient positioning methods. Normal tissue complication probabilities (NTCPs), equivalent uniform doses (EUDs), and tumor control probabilities (TCPs) were studied for organs at risk (OARs) and target volumes of eight patients. Results: The authors identified a median 1σ proton range uncertainty at the 50%-dose falloff of 2.8 mm for anatomy-based patient positioning and 1.6 mm for fiducial-based patient positioning as well as 7.2 and 5.8 mm for the 90%-dose falloff position, respectively. These range uncertainties were correlated to heterogeneity indices (HIs) calculated for each treatment field (38% < R2 < 50%). A NTCP increase of more than 10% (absolute) was observed for less than 2.9% (anatomy-based positioning) and 1.2% (fiducial-based positioning) of the studied OARs and patient shifts. For target volumes TCP decreases by more than 10% (absolute) occurred in less than 2.2% of the considered treatment scenarios for anatomy-based patient positioning and were nonexistent for fiducial-based patient positioning. EUD changes for target volumes were up to 35% (anatomy-based positioning) and 16% (fiducial-based positioning). Conclusions: The influence of patient positioning uncertainties on proton range in therapy of small lesions in the human brain as well as target and OAR dosimetry were studied. Observed range uncertainties were correlated with HIs. The clinical practice of using multiple fields with smeared compensators while avoiding distal OAR sparing is considered to be safe. PMID:25186386

DNA Packaging in Bacteriophage: Is Twist Important?

PubMed Central

Spakowitz, Andrew James; Wang, Zhen-Gang

2005-01-01

We study the packaging of DNA into a bacteriophage capsid using computer simulation, specifically focusing on the potential impact of twist on the final packaged conformation. We perform two dynamic simulations of packaging a polymer chain into a spherical confinement: one where the chain end is rotated as it is fed, and one where the chain is fed without end rotation. The final packaged conformation exhibits distinct differences in these two cases: the packaged conformation from feeding with rotation exhibits a spool-like character that is consistent with experimental and previous theoretical work, whereas feeding without rotation results in a folded conformation inconsistent with a spool conformation. The chain segment density shows a layered structure, which is more pronounced for packaging with rotation. However, in both cases, the conformation is marked by frequent jumps of the polymer chain from layer to layer, potentially influencing the ability to disentangle during subsequent ejection. Ejection simulations with and without Brownian forces show that Brownian forces are necessary to achieve complete ejection of the polymer chain in the absence of external forces. PMID:15805174

DNA packaging in bacteriophage: is twist important?

PubMed

Spakowitz, Andrew James; Wang, Zhen-Gang

2005-06-01

We study the packaging of DNA into a bacteriophage capsid using computer simulation, specifically focusing on the potential impact of twist on the final packaged conformation. We perform two dynamic simulations of packaging a polymer chain into a spherical confinement: one where the chain end is rotated as it is fed, and one where the chain is fed without end rotation. The final packaged conformation exhibits distinct differences in these two cases: the packaged conformation from feeding with rotation exhibits a spool-like character that is consistent with experimental and previous theoretical work, whereas feeding without rotation results in a folded conformation inconsistent with a spool conformation. The chain segment density shows a layered structure, which is more pronounced for packaging with rotation. However, in both cases, the conformation is marked by frequent jumps of the polymer chain from layer to layer, potentially influencing the ability to disentangle during subsequent ejection. Ejection simulations with and without Brownian forces show that Brownian forces are necessary to achieve complete ejection of the polymer chain in the absence of external forces.

Structure and symmetry in coherent perfect polarization rotation

NASA Astrophysics Data System (ADS)

Crescimanno, Michael; Zhou, Chuanhong; Andrews, James H.; Baker, Michael A.

2015-01-01

Theoretical investigations of different routes to coherent perfect polarization rotation illustrate its phenomenological connection with coherent perfect absorption. Our study of systems with broken parity, layering, combined Faraday rotation and optical activity, or a rotator-loaded optical cavity highlights their similarity and suggests alternate approaches to improving and miniaturizing optical devices.

Generation of fast protons by interaction of modest laser intensities with H2O “snow” nano-wire targets

NASA Astrophysics Data System (ADS)

Bruner, Nir; Schleifer, Elad; Palchan, Tala; Pikuz, Sergey A.; Eisenmann, Shmuel; Botton, Mordechai; Gordon, Dan; Zigler, Arie

2011-10-01

We report on the generation of protons with energies of 5.5 MeV when irradiating an H 2O nano-wire layer grown on a sapphire plate with an intensity of 5×10 17 W/cm 2. A theoretical model is suggested in which plasma near the tip of the wire is subject to enhanced electrical fields and protons are accelerated to several MeVs.

On the stability of von Kármán rotating-disk boundary layers with radial anisotropic surface roughness

NASA Astrophysics Data System (ADS)

Garrett, S. J.; Cooper, A. J.; Harris, J. H.; Özkan, M.; Segalini, A.; Thomas, P. J.

2016-01-01

We summarise results of a theoretical study investigating the distinct convective instability properties of steady boundary-layer flow over rough rotating disks. A generic roughness pattern of concentric circles with sinusoidal surface undulations in the radial direction is considered. The goal is to compare predictions obtained by means of two alternative, and fundamentally different, modelling approaches for surface roughness for the first time. The motivating rationale is to identify commonalities and isolate results that might potentially represent artefacts associated with the particular methodologies underlying one of the two modelling approaches. The most significant result of practical relevance obtained is that both approaches predict overall stabilising effects on type I instability mode of rotating disk flow. This mode leads to transition of the rotating-disk boundary layer and, more generally, the transition of boundary-layers with a cross-flow profile. Stabilisation of the type 1 mode means that it may be possible to exploit surface roughness for laminar-flow control in boundary layers with a cross-flow component. However, we also find differences between the two sets of model predictions, some subtle and some substantial. These will represent criteria for establishing which of the two alternative approaches is more suitable to correctly describe experimental data when these become available.

Protonation-dependent conformational dynamics of the multidrug transporter EmrE

PubMed Central

Dastvan, Reza; Mishra, Smriti; Meiler, Jens; Mchaourab, Hassane S.

2016-01-01

The small multidrug transporter from Escherichia coli, EmrE, couples the energetically uphill extrusion of hydrophobic cations out of the cell to the transport of two protons down their electrochemical gradient. Although principal mechanistic elements of proton/substrate antiport have been described, the structural record is limited to the conformation of the substrate-bound state, which has been shown to undergo isoenergetic alternating access. A central but missing link in the structure/mechanism relationship is a description of the proton-bound state, which is an obligatory intermediate in the transport cycle. Here we report a systematic spin labeling and double electron electron resonance (DEER) study that uncovers the conformational changes of EmrE subsequent to protonation of critical acidic residues in the context of a global description of ligand-induced structural rearrangements. We find that protonation of E14 leads to extensive rotation and tilt of transmembrane helices 1–3 in conjunction with repacking of loops, conformational changes that alter the coordination of the bound substrate and modulate its access to the binding site from the lipid bilayer. The transport model that emerges from our data posits a proton-bound, but occluded, resting state. Substrate binding from the inner leaflet of the bilayer releases the protons and triggers alternating access between inward- and outward-facing conformations of the substrate-loaded transporter, thus enabling antiport without dissipation of the proton gradient. PMID:26787875

Solutions to Three-Dimensional Thin-Layer Navier-Stokes Equations in Rotating Coordinates for Flow Through Turbomachinery

NASA Technical Reports Server (NTRS)

Ghosh, Amrit Raj

1996-01-01

The viscous, Navier-Stokes solver for turbomachinery applications, MSUTC has been modified to include the rotating frame formulation. The three-dimensional thin-layer Navier-Stokes equations have been cast in a rotating Cartesian frame enabling the freezing of grid motion. This also allows the flow-field associated with an isolated rotor to be viewed as a steady-state problem. Consequently, local time stepping can be used to accelerate convergence. The formulation is validated by running NASA's Rotor 67 as the test case. results are compared between the rotating frame code and the absolute frame code. The use of the rotating frame approach greatly enhances the performance of the code with respect to savings in computing time, without degradation of the solution.

Membrane catalyst layer for fuel cells

DOEpatents

Wilson, Mahlon S.

1993-01-01

A gas reaction fuel cell incorporates a thin catalyst layer between a solid polymer electrolyte (SPE) membrane and a porous electrode backing. The catalyst layer is preferably less than about 10 .mu.m in thickness with a carbon supported platinum catalyst loading less than about 0.35 mgPt/cm.sup.2. The film is formed as an ink that is spread and cured on a film release blank. The cured film is then transferred to the SPE membrane and hot pressed into the surface to form a catalyst layer having a controlled thickness and catalyst distribution. Alternatively, the catalyst layer is formed by applying a Na.sup.+ form of a perfluorosulfonate ionomer directly to the membrane, drying the film at a high temperature, and then converting the film back to the protonated form of the ionomer. The layer has adequate gas permeability so that cell performance is not affected and has a density and particle distribution effective to optimize proton access to the catalyst and electronic continuity for electron flow from the half-cell reaction occurring at the catalyst.

The Synthesis, Structures, and Chemical Properties of Macrocyclic Ligands Covalently Bonded into Layered Arrays

DOE Office of Scientific and Technical Information (OSTI.GOV)

Clearfield, Abraham

2014-11-01

In this part of the proposal we have concentrated on the surface functionalization of α-zirconium phosphate of composition Zr(O3POH)2•H2O. It is a layered compound that can be prepared as particles as small as 30 nm to single crystals in the range of cm. This compound is an ion exchanger with a capacity of 6.64 meq per gram. It finds use as a catalyst, proton conductor, sensors, biosensors, in kidney dialysis and drug delivery. By functionalizing the surface additional uses are contemplated as will be described. The layers consist of the metal, with 4+ charge, that is positioned slightly above andmore » below the mean layer plane and bridged by three of the four phosphate oxygens. The remaining POH groups point into the interlayer space creating double rows of POH groups but single arrays on the surface layers. The surface groups are reactive and we were able to bond silanes, isocyanates, epoxides, acrylates ` and phosphates to the surface POH groups. The layers are easily exfoliated or filled with ions by ion exchange or molecules by intercalation reactions. Highlights of our work include, in addition to direct functionalization of the surfaces, replacement of the protons on the surface with ions of different charge. This allows us to bond phosphates, biophosphates, phosphonic acids and alcohols to the surface. By variation of the ion charge of the ions that replace the surface protons, different surface structures are obtained. We have already shown that polymer fillers, catalysts and Janus particles may be prepared. The combination of surface functionalization with the ability to insert molecules and ions between the layers allow for a rich development of numerous useful other applications as well as nano-surface chemistry.« less

Proton therapy for locally advanced breast cancer: A systematic review of the literature.

PubMed

Kammerer, Emmanuel; Guevelou, Jennifer Le; Chaikh, Abdulhamid; Danhier, Serge; Geffrelot, Julien; Levy, Christelle; Saloux, Eric; Habrand, Jean-Louis; Thariat, Juliette

2018-02-01

Radiation therapy plays a major role in the management of adjuvant breast cancer with nodal involvement, with an iatrogenic increase of cardio-vascular risk. Photon therapy, even with intensity modulation, has the downsides of high mean heart dose and heterogeneous target coverage, particularly in the case of internal mammary irradiation. This systematic review of the literature aims to evaluate proton therapy in locally advanced breast cancer. PubMed was searched for original full-text articles with the following search terms: «Proton Therapy» and «Breast Cancer». On-going trials were collected using the words "Breast Cancer" and "Protons". 13 articles met the criteria: 6 with passive proton therapy (Double Scattering), 5 with Pencil Beam Scanning (PBS) and 2 with a combination of both. Proton therapy offered a better target coverage than photons, even compared with intensity modulation radiation therapy (including static or rotational IMRT or tomotherapy). With proton therapy, volumes receiving 95% of the dose were around 98%, with low volumes receiving 105% of the dose. Proton therapy often decreased mean heart dose by a factor of 2 or 3, i.e. 1 Gy with proton therapy versus 3 Gy with conventional 3D, and 6 Gy for IMRT. Lungs were better spared with proton therapy than with photon therapy. Cutaneous toxicity observed with double scattering is improved with PBS. Proton therapy reduces mean heart dose in breast cancer irradiation, probably reducing late cardio-vascular toxicity. Large clinical studies will likely confirm a clinical benefit of proton therapy. Copyright © 2017 Elsevier Ltd. All rights reserved.

Liquid encapsulated crystal growth

NASA Technical Reports Server (NTRS)

Morrison, Andrew D. (Inventor)

1989-01-01

Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into an adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

Liquid encapsulated crystal growth

NASA Technical Reports Server (NTRS)

Morrison, Andrew D. (Inventor)

1987-01-01

Low-defect crystals are grown in a closed ampoule under a layer of encapsulant. After crystal growth, the crystal is separated from the melt and moved into the layer of encapsulant and cooled to a first temperature at which crystal growth stops. The crystal is then moved into the inert gas ambient in the ampoule and further cooled. The crystal can be separated from the melt by decanting the melt into and adjacent reservoir or by rotating the ampoule to rotate the crystal into the encapsulant layer.

Negative Magnus lift on a rotating sphere at around the critical Reynolds number

NASA Astrophysics Data System (ADS)

Muto, Masaya; Tsubokura, Makoto; Oshima, Nobuyuki

2012-01-01

Negative Magnus lift acting on a sphere rotating about the axis perpendicular to an incoming flow was investigated using large-eddy simulation at three Reynolds numbers of 1.0 × 104, 2.0 × 105, and 1.14 × 106. The numerical methods used were first validated on a non-rotating sphere, and the spatial resolution around the sphere was determined so as to reproduce the laminar separation, reattachment, and turbulent transition of the boundary layer observed in the vicinity of the critical Reynolds number. The rotating sphere exhibited a positive or negative Magnus effect depending on the Reynolds number and the imposed rotating speed. At Reynolds numbers in the subcritical or supercritical regimes, the direction of the Magnus lift force was independent of the rotational speed. In contrast, the lift force was negative in the critical regime when particular rotating speeds were imposed. This negative Magnus effect was investigated in the context of suppression or promotion of boundary layer transition around the separation point.

Why three-body physics does not solve the proton-radius puzzle.

PubMed

Karr, Jean-Philippe; Hilico, Laurent

2012-09-07

The possible involvement of weakly bound three-body systems in the muonic hydrogen spectroscopy experiment, which could resolve the current discrepancy between determinations of the proton radius, is investigated. Using variational calculations with complex coordinate rotation, we show that in the pμe ion, which was recently proposed as a possible candidate, the pμ core fails to bind the outer electron tightly enough to explain the discrepancy. It is also shown that the ppμ molecular ion cannot play any role in the observed line.

SIMULATED PERFORMANCE OF THE PRODUCTION TARGET FOR THE MUON G-2 EXPERIMENT

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stratakis, D.; Convery, M.; Morgan, J. P.

The Muon g-2 Experiment plans to use the Fermilab Re-cycler Ring for forming the proton bunches that hit its pro-duction target. The proposed scheme uses one RF system, 80 kV of 2.5 MHz RF. In order to avoid bunch rotations in a mismatched bucket, the 2.5 MHz is ramped adiabatically from 3 to 80 kV in 90 ms. In this study, the interaction of the primary proton beam with the production target for the Muon g-2 Experiment is numerically examined.

Standing shocks in a two-fluid solar wind

NASA Technical Reports Server (NTRS)

Habbal, Shadia R.; Hu, You Qiu; Esser, Ruth

1994-01-01

We present a numerical study of the formation of standing shocks in the solar wind using a two-fluid time-dependent model in the presence of Alfven waves. Included in this model is the adiabatic cooling and thermal conduction of both electrons and protons. In this study, standing shocks develop in the flow when additional critical points form as a result of either localized momentum addition or rapid expansion of the flow tube below the existing sonic point. While the flow speed and density exhibit the same characteristics as found in earlier studies of the formation of standing shocks, the inclusion of electron and proton heat conduction produces different signatures in the electron and proton temperature profiles across the shock layer. Owing to the strong heat conduction, the electron temperature is nearly continuous across the shock, but its gradient has a negative jump across it, thus producing a net heat flux out of the shock layer. The proton temperature exhibits the same characteristics for shocks produced by momentum addition but behaves differently when the shock is formed by the rapid divergence of the flow tube. The adiabatic cooling in a rapidly diverging flow tube reduces the proton temperature so substantially that the proton heat conduction becomes negligible in the vicinity of the shock. As a result, protons experience a positive jump in temperature across the shock. While Alfven waves do not affect the formation of standing shocks, they contribute to the change of the mmomentum and energy balance across them. We also find that for this solar wind model the inclusion of thermal conduction and adiabatic cooling for the elctrons and protons increases significantly the range of parameters characterizing the formation of standing shocks over those previously found for isothermal and polytropic models.

The effect of surface alignment on analog control of director rotation in polarization stiffened SmC* devices

NASA Astrophysics Data System (ADS)

Reznikov, Mitya; Lopatina, Lena M.; O'Callaghan, Michael J.; Bos, Philip J.

2011-03-01

The effect of surface alignment on the achievement of analog ("V"-shaped) electric field control of director rotation in SmC* liquid crystal devices is investigated experimentally and through numerical modeling. Ferroelectric SmC* liquid crystals are intrinsically analog and thresholdless, i.e. the director can be rotated freely around the tilt cone. Whether or not a SmC* liquid crystal cell exhibits thresholdless switching depends strongly on the influence of the cell's alignment layers, on the magnitude of the liquid crystal's spontaneous polarization, and on whether smectic layers adopt a bookshelf or chevron configuration. To study the effect of the surface alignment layers, we have exploited a technique for the vertical (bookshelf) alignment of the smectic layers that does not depend on surface anisotropy. The alignment technique allows an experimental study of the influence of surfaces spanning a wide range of pretilt angles, azimuthal and zenithal anchoring energies. This technique is used to study the effect of surfaces on the threshold behavior of director rotation in SmC* materials under the influence of an electric field. The alignment technique also allowed us to use a high-PS liquid crystal material having an I-A-C phase sequence and reduced layer shrinkage thought to be well suited to thresholdless switching. We show that the alignment layer has a strong effect, and that excellent analog response can be achieved for the case of alignment layers which promote homeotropic director orientation. We further model and discuss the potential effect of a thin layer of nematic at the surface and the possibility of gliding of the easy axis during switching.

Laser acceleration of protons using multi-ion plasma gaseous targets

DOE PAGES

Liu, Tung -Chang; Shao, Xi; Liu, Chuan -Sheng; ...

2015-02-01

We present a theoretical and numerical study of a novel acceleration scheme by applying a combination of laser radiation pressure and shielded Coulomb repulsion in laser acceleration of protons in multi-species gaseous targets. By using a circularly polarized CO₂ laser pulse with a wavelength of 10 μm—much greater than that of a Ti: Sapphire laser—the critical density is significantly reduced, and a high-pressure gaseous target can be used to achieve an overdense plasma. This gives us a larger degree of freedom in selecting the target compounds or mixtures, as well as their density and thickness profiles. By impinging such amore » laser beam on a carbon–hydrogen target, the gaseous target is first compressed and accelerated by radiation pressure until the electron layer disrupts, after which the protons are further accelerated by the electron-shielded carbon ion layer. An 80 MeV quasi-monoenergetic proton beam can be generated using a half-sine shaped laser beam with a peak power of 70 TW and a pulse duration of 150 wave periods.« less

Suicide Inhibition of Cytochrome P450 Enzymes by Cyclopropylamines via a Ring-opening Mechanism: Proton-Coupled Electron Transfer Makes a Difference

NASA Astrophysics Data System (ADS)

Zhang, Xiaoqian; Li, Xiao-Xi; Liu, Yufang; Wang, Yong

2017-01-01

N-benzyl-N-cyclopropylamine (BCA) has been attracting great interests for decades for its partial suicide inactivation role to cytochrome P450 (P450) via a ring-opening mechanism besides acting as a role of normal substrates. Understanding the mechanism of such partial inactivation is vital to the clinical drug design. Thus, density functional theoretical (DFT) calculations were carried out on such P450-catalyzed reactions, not only on the metabolic pathway, but on the ring-opening inactivation one. Our theoretical results demonstrated that, in the metabolic pathway, besides the normal carbinolamine, an unexpected enamine was formed via the dual hydrogen abstraction (DHA) process, in which the competition between rotation of the H-abstracted substrate radical and the rotation of hydroxyl group of the protonated Cpd II moiety plays a significant role in product branch; In the inactivation pathway, the well-noted single electron transfer (SET) mechanism-involved process was invalidated for its high energy barrier, a proton-coupled electron transfer (PCET(ET)) mechanism plays a role. Our results are consistent with other related theoretical works on heteroatom-hydrogen (X-H, X = O, N) activation and revealed new features. The revealed mechanisms will play a positive role in relative drug design.

Spin-lattice relaxation study of the methyl proton dynamics in solid 9,10-dimethyltriptycene (DMT).

PubMed

Piślewski, N; Tritt-Goc, J; Bielejewski, M; Rachocki, A; Ratajczyk, T; Szymański, S

2009-06-01

Proton spin-lattice relaxation studies are performed for powder samples of 9,10-dimethyltriptycene (DMT) and its isotopomer DMT-d(12) in which all the non-methyl protons in the molecule are replaced by deuterons. The relaxation data are interpreted in terms of the conventional relaxation theory based on the random jump model in which the Pauli correlations between the relevant spin and torsional states are discarded. The Arrhenius activation energies, obtained from the relaxation data, 25.3 and 24.8 kJ mol(-1) for DMT and DMT-d(12), respectively, are very high as for the methyl groups. The validity of the jump model in the present case is considered from the perspective of Haupt theory in which the Pauli principle is explicitly invoked. To this purpose, the dynamic quantities entering the Haupt model are reinterpreted in the spirit of the damped quantum rotation (DQR) approach introduced recently for the purpose of NMR lineshape studies of hindered molecular rotators. Theoretical modelling of the relevant methyl group dynamics, based on the DQR theory, was performed. From these calculations it is inferred that direct assessments of the torsional barrier heights, based on the Arrhenius activation energies extracted from relaxation data, should be treated with caution.

Water exit pathways and proton pumping mechanism in B-type cytochrome c oxidase from molecular dynamics simulations.

PubMed

Yang, Longhua; Skjevik, Åge A; Han Du, Wen-Ge; Noodleman, Louis; Walker, Ross C; Götz, Andreas W

2016-09-01

Cytochrome c oxidase (CcO) is a vital enzyme that catalyzes the reduction of molecular oxygen to water and pumps protons across mitochondrial and bacterial membranes. While proton uptake channels as well as water exit channels have been identified for A-type CcOs, the means by which water and protons exit B-type CcOs remain unclear. In this work, we investigate potential mechanisms for proton transport above the dinuclear center (DNC) in ba3-type CcO of Thermus thermophilus. Using long-time scale, all-atom molecular dynamics (MD) simulations for several relevant protonation states, we identify a potential mechanism for proton transport that involves propionate A of the active site heme a3 and residues Asp372, His376 and Glu126(II), with residue His376 acting as the proton-loading site. The proposed proton transport process involves a rotation of residue His376 and is in line with experimental findings. We also demonstrate how the strength of the salt bridge between residues Arg225 and Asp287 depends on the protonation state and that this salt bridge is unlikely to act as a simple electrostatic gate that prevents proton backflow. We identify two water exit pathways that connect the water pool above the DNC to the outer P-side of the membrane, which can potentially also act as proton exit transport pathways. Importantly, these water exit pathways can be blocked by narrowing the entrance channel between residues Gln151(II) and Arg449/Arg450 or by obstructing the entrance through a conformational change of residue Tyr136, respectively, both of which seem to be affected by protonation of residue His376. Copyright © 2016 Elsevier B.V. All rights reserved.

Debris Evaluation after Root Canal Shaping with Rotating and Reciprocating Single-File Systems

PubMed Central

Dagna, Alberto; Gastaldo, Giulia; Beltrami, Riccardo; Poggio, Claudio

2016-01-01

This study evaluated the root canal dentine surface by scanning electron microscope (SEM) after shaping with two reciprocating single-file NiTi systems and two rotating single-file NiTi systems, in order to verify the presence/absence of the smear layer and the presence/absence of open tubules along the walls of each sample; Forty-eight single-rooted teeth were divided into four groups and shaped with OneShape (OS), F6 SkyTaper (F6), WaveOne (WO) and Reciproc and irrigated using 5.25% NaOCl and 17% EDTA. Root canal walls were analyzed by SEM at a standard magnification of 2500×. The presence/absence of the smear layer and the presence/absence of open tubules at the coronal, middle, and apical third of each canal were estimated using a five-step scale for scores. Numeric data were analyzed using Kruskal-Wallis and Mann-Whitney U statistical tests and significance was predetermined at P < 0.05; The Kruskal-Wallis ANOVA for debris score showed significant differences among the NiTi systems (P < 0.05). The Mann-Whitney test confirmed that reciprocating systems presented significantly higher score values than rotating files. The same results were assessed considering the smear layer scores. ANOVA confirmed that the apical third of the canal maintained a higher quantity of debris and smear layer after preparation of all the samples; Single-use NiTi systems used in continuous rotation appeared to be more effective than reciprocating instruments in leaving clean walls. The reciprocating systems produced more debris and smear layer than rotating instruments. PMID:27763503

Experimental study on the heat transfer characteristics of waste printed circuit boards pyrolysis.

PubMed

Ma, Hongting; Du, Na; Lin, Xueyin; Li, Chen; Lai, Junwen; Li, Zihao

2018-08-15

In order to study the appropriate and advanced technology for recycling waste printed circuit boards (PCBs), a fixed bed pyrolysis device with stirring function has been designed and developed. The effect of rotating speed on the temperature distribution and mass change in the pyrolysis process of FR-4 PCB has been analyzed. The heat transfer and pyrolysis characteristics of different granular layers with and without stirring have been investigated. The results indicate that the stirring can change the main way of heat transfer from conduction to convection in the PCB layers. As the increase of rotating speed, the temperature rising rate of material at the bottom of the pyrolysis furnace gradually decreases, while the heating rate is increasing at the upper layer, and the temperature difference between the upper and bottom layers is gradually reduced. When the rotating speed varies from 0r/min to 18r/min, the weight loss of the material increases from 3.97% to 6.76%, and the overall pyrolysis degree is improved. During the pyrolysis process, the material layer can be divided into three zones along the vertical direction, namely complete pyrolysis zone, partial pyrolysis zone and non-pyrolysis zone. As the rotating speed is 0r/min, the thickness of each zones is 6cm, 6cm and 3cm, respectively. However, when the rotating speed is increased to 18r/min, the non-pyrolysis zone disappears, and the thickness of complete pyrolysis zone and partial pyrolysis zone increase to 9cm and 6cm, respectively. Copyright © 2018 Elsevier B.V. All rights reserved.

The γ Dor stars as revealed by Kepler: A key to reveal deep-layer rotation in A and F stars

NASA Astrophysics Data System (ADS)

Salmon, S. J. A. J.; Ouazzani, R.-M.; Antoci, V.; Bedding, T. R.; Murphy, S. J.

2017-09-01

The γ Dor pulsating stars present high-order gravity modes, which make them important targets in the intermediate-and low-mass main-sequence region of the Hertzsprung-Russell diagram. Whilst we have only access to rotation in the envelope of the Sun, the g modes of γ Dor stars can in principle deliver us constraints on the inner layers. With the puzzling discovery of unexpectedly low rotation rates in the core of red giants, the γ Dor stars appear now as unique targets to explore internal angular momentum transport in the progenitors of red giants. Yet, the γ Dor pulsations remain hard to detect from the ground for their periods are close to 1 day. While the CoRoT space mission first revealed intriguing frequency spectra, the almost uninterrupted 4-year photometry from the Kepler mission eventually shed a new light on them. It revealed regularities in the spectra, expected to bear signature of physical processes, including rotation, in the shear layers close to the convective core. We present here the first results of our effort to derive exploitable seismic diagnosis for mid- to fast rotators among γ Dor stars. We confirm their potential to explore the rotation history of this early phase of stellar evolution.

Anisotropic Dye Adsorption and Anhydrous Proton Conductivity in Smectic Liquid Crystal Networks: The Role of Cross-Link Density, Order, and Orientation.

PubMed

Liang, Ting; van Kuringen, Huub P C; Mulder, Dirk J; Tan, Shuai; Wu, Yong; Borneman, Zandrie; Nijmeijer, Kitty; Schenning, Albertus P H J

2017-10-11

In this work, the decisive role of rigidity, orientation, and order in the smectic liquid crystalline network on the anisotropic proton and adsorbent properties is reported. The rigidity in the hydrogen-bonded polymer network has been altered by changing the cross-link density, the order by using different mesophases (smectic, nematic, and isotropic phases), whereas the orientation of the mesogens was controlled by alignment layers. Adding more cross-linkers improved the integrity of the polymer films. For the proton conduction, an optimum was found in the amount of cross-linker and the smectic organization results in the highest anhydrous proton conduction. The polymer films show anisotropic proton conductivity with a 54 times higher conductivity in the direction perpendicular to the molecular director. After a base treatment of the smectic liquid crystalline network, a nanoporous polymer film is obtained that also shows anisotropic adsorption of dye molecules and again straight smectic pores are favored over disordered pores in nematic and isotropic networks. The highly cross-linked films show size-selective adsorption of dyes. Low cross-linked materials do not show this difference due to swelling, which decreases the order and creates openings in the two-dimensional polymer layers. The latter is, however, beneficial for fast adsorption kinetics.

Space Environment Effects on Flexible, Low-Voltage Organic Thin-Film Transistors.

PubMed

Basiricò, Laura; Basile, Alberto Francesco; Cosseddu, Piero; Gerardin, Simone; Cramer, Tobias; Bagatin, Marta; Ciavatti, Andrea; Paccagnella, Alessandro; Bonfiglio, Annalisa; Fraboni, Beatrice

2017-10-11

Organic electronic devices fabricated on flexible substrates are promising candidates for applications in environments where flexible, lightweight, and radiation hard materials are required. In this work, device parameters such as threshold voltage, charge mobility, and trap density of 13-bis(triisopropylsilylethynyl)pentacene (TIPS-pentacene)-based organic thin-film transistors (OTFTs) have been monitored for performing electrical measurements before and after irradiation by high-energy protons. The observed reduction of charge carrier mobility following irradiation can be only partially ascribed to the increased trap density. Indeed, we used other techniques to identify additional effects induced by proton irradiation in such devices. Atomic force microscopy reveals morphological defects occurring in the organic dielectric layer induced by the impinging protons, which, in turn, induce a strain on the TIPS-pentacene crystallites lying above. The effects of this strain are investigated by density functional theory simulations of two model structures, which describe the TIPS-pentacene crystalline films at equilibrium and under strain. The two different density of states distributions in the valence band have been correlated with the photocurrent spectra acquired before and after proton irradiation. We conclude that the degradation of the dielectric layer and the organic semiconductor sensitivity to strain are the two main phenomena responsible for the reduction of OTFT mobility after proton irradiation.

Nanogranular SiO2 proton gated silicon layer transistor mimicking biological synapses

NASA Astrophysics Data System (ADS)

Liu, M. J.; Huang, G. S.; Feng, P.; Guo, Q. L.; Shao, F.; Tian, Z. A.; Li, G. J.; Wan, Q.; Mei, Y. F.

2016-06-01

Silicon on insulator (SOI)-based transistors gated by nanogranular SiO2 proton conducting electrolytes were fabricated to mimic synapse behaviors. This SOI-based device has both top proton gate and bottom buried oxide gate. Electrical transfer properties of top proton gate show hysteresis curves different from those of bottom gate, and therefore, excitatory post-synaptic current and paired pulse facilitation (PPF) behavior of biological synapses are mimicked. Moreover, we noticed that PPF index can be effectively tuned by the spike interval applied on the top proton gate. Synaptic behaviors and functions, like short-term memory, and its properties are also experimentally demonstrated in our device. Such SOI-based electronic synapses are promising for building neuromorphic systems.

A cross-polarization based rotating-frame separated-local-field NMR experiment under ultrafast MAS conditions

NASA Astrophysics Data System (ADS)

Zhang, Rongchun; Damron, Joshua; Vosegaard, Thomas; Ramamoorthy, Ayyalusamy

2015-01-01

Rotating-frame separated-local-field solid-state NMR experiments measure highly resolved heteronuclear dipolar couplings which, in turn, provide valuable interatomic distances for structural and dynamic studies of molecules in the solid-state. Though many different rotating-frame SLF sequences have been put forth, recent advances in ultrafast MAS technology have considerably simplified pulse sequence requirements due to the suppression of proton-proton dipolar interactions. In this study we revisit a simple two-dimensional 1H-13C dipolar coupling/chemical shift correlation experiment using 13C detected cross-polarization with a variable contact time (CPVC) and systematically study the conditions for its optimal performance at 60 kHz MAS. In addition, we demonstrate the feasibility of a proton-detected version of the CPVC experiment. The theoretical analysis of the CPVC pulse sequence under different Hartmann-Hahn matching conditions confirms that it performs optimally under the ZQ (w1H - w1C = ±wr) condition for polarization transfer. The limits of the cross polarization process are explored and precisely defined as a function of offset and Hartmann-Hahn mismatch via spin dynamics simulation and experiments on a powder sample of uniformly 13C-labeled L-isoleucine. Our results show that the performance of the CPVC sequence and subsequent determination of 1H-13C dipolar couplings are insensitive to 1H/13C frequency offset frequency when high RF fields are used on both RF channels. Conversely, the CPVC sequence is quite sensitive to the Hartmann-Hahn mismatch, particularly for systems with weak heteronuclear dipolar couplings. We demonstrate the use of the CPVC based SLF experiment as a tool to identify different carbon groups, and hope to motivate the exploration of more sophisticated 1H detected avenues for ultrafast MAS.

Geometry of tracer trajectories in rotating turbulent flows

NASA Astrophysics Data System (ADS)

Alards, Kim M. J.; Rajaei, Hadi; Del Castello, Lorenzo; Kunnen, Rudie P. J.; Toschi, Federico; Clercx, Herman J. H.

2017-04-01

The geometry of passive tracer trajectories is studied in two different types of rotating turbulent flows; rotating Rayleigh-Bénard convection (RBC; experiments and direct numerical simulations) and rotating electromagnetically forced turbulence (EFT; experiments). This geometry is fully described by the curvature and torsion of trajectories, and from these geometrical quantities we can subtract information on the typical flow structures at different rotation rates. Previous studies, focusing on nonrotating homogeneous isotropic turbulence (HIT), show that the probability density functions (PDFs) of curvature and torsion reveal pronounced power laws. However, the set-ups studied here involve inhomogeneous turbulence, and in RBC the flow near the horizontal plates is definitely anisotropic. We investigate how the typical shapes of the curvature and torsion PDFs, including the pronounced scaling laws, are influenced by this level of anisotropy and inhomogeneity and how this effect changes with rotation. A first effect of rotation is observed as a shift of the curvature and torsion PDFs towards higher values in the case of RBC and towards lower values in the case of EFT. This shift is related to the length scale of typical vortical structures that decreases with rotation in RBC, but increases with rotation in EFT, explaining the opposite shifts of the curvature (and torsion) PDFs. A second remarkable observation is that in RBC the HIT scaling laws are always recovered, as long as the boundary layer (BL) is excluded. This suggests that these scaling laws are very robust and hold as long as we measure in the turbulent bulk. In the BL of the RBC cell, however, the scaling deviates from the HIT prediction for lower rotation rates. This scaling behavior is found to be consistent with the coupling between the boundary layer dynamics and the bulk flow, which changes under rotation. In particular, it is found that the active coupling of the Ekman-type boundary layer with the bulk flow suppresses anisotropy in the BL region for increasing rotation rates.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Marshall, S; Currier, B; Hodgdon, A

Purpose: The design of a new Portable Faraday Cup (PFC) used to calibrate proton accelerators was evaluated for energies between 50 and 220 MeV. Monte Carlo simulations performed in Geant4–10.0 were used to evaluate experimental results and reduce the relative detector error for this vacuum-less and low mass system, and invalidate current MCNP releases. Methods: The detector construction consisted of a copper conductor coated with an insulator and grounded with silver. Monte Carlo calculations in Geant4 were used to determine the net charge per proton input (gain) as a function of insulator thickness and beam energy. Kapton was chosen asmore » the insulating material and was designed to capture backscattered electrons. Charge displacement from/into Kapton was assumed to follow a linear proportionality to the origin/terminus depth toward the outer ground layer. Kapton thicknesses ranged from 0 to 200 microns, proton energies were set to match empirical studies ranging from 70 to 250 MeV. Each setup was averaged over 1 million events using the FTFP-BERT 2.0 physics list. Results: With increasing proton energy, the gain of Cu+KA gradually converges to the limit of pure copper, with relative error between 1.52% and 0.72%. The Ag layer created a more diverging behavior, accelerating the flux of negative charge into the device and increasing relative error when compared to pure copper from 1.21% to 1.63%. Conclusion: Gain vs. beam energy signatures were acquired for each device. Further analysis reveals proportionality between insulator thickness and measured gain, albeit an inverse proportionality between beam energy and in-flux of electrons. Increased silver grounding layer thickness also decreases gain, though the relative error expands with beam energy, contrary to the Kapton layer.« less

Electrical characteristics of proton-irradiated Sc2O3 passivated AlGaN/GaN high electron mobility transistors

NASA Astrophysics Data System (ADS)

Luo, B.; Kim, Jihyun; Ren, F.; Gillespie, J. K.; Fitch, R. C.; Sewell, J.; Dettmer, R.; Via, G. D.; Crespo, A.; Jenkins, T. J.; Gila, B. P.; Onstine, A. H.; Allums, K. K.; Abernathy, C. R.; Pearton, S. J.; Dwivedi, R.; Fogarty, T. N.; Wilkins, R.

2003-03-01

Sc2O3-passivated AlGaN/GaN high electron mobility transistors (HEMTs) were irradiated with 40 MeV protons to a fluence corresponding to approximately 10 years in low-earth orbit (5×109 cm-2). Devices with an AlGaN cap layer showed less degradation in dc characteristics than comparable GaN-cap devices, consistent with differences in average band energy. The changes in device performance could be attributed completely to bulk trapping effects, demonstrating that the effectiveness of the Sc2O3 layers in passivating surface states in the drain-source region was undiminished by the proton irradiation. Sc2O3-passivated AlGaN/HEMTs appear to be attractive candidates for space and terrestrial applications where resistance to high fluxes of ionizing radiation is a criteria.

High Reynolds number turbulence model of rotating shear flows

NASA Astrophysics Data System (ADS)

Masuda, S.; Ariga, I.; Koyama, H. S.

1983-09-01

A Reynolds stress closure model for rotating turbulent shear flows is developed. Special attention is paid to keeping the model constants independent of rotation. First, general forms of the model of a Reynolds stress equation and a dissipation rate equation are derived, the only restrictions of which are high Reynolds number and incompressibility. The model equations are then applied to two-dimensional equilibrium boundary layers and the effects of Coriolis acceleration on turbulence structures are discussed. Comparisons with the experimental data and with previous results in other external force fields show that there exists a very close analogy between centrifugal, buoyancy and Coriolis force fields. Finally, the model is applied to predict the two-dimensional boundary layers on rotating plane walls. Comparisons with existing data confirmed its capability of predicting mean and turbulent quantities without employing any empirical relations in rotating fields.

Effects of combined irradiation of 500 keV protons and atomic oxygen on polyimide films

NASA Astrophysics Data System (ADS)

Novikov, Lev; Chernik, Vladimir; Zhilyakov, Lev; Voronina, Ekaterina; Chirskaia, Natalia

2016-07-01

Polyimide films are widely used on the spacecraft surface as thermal control coating, films in different constuctions, etc. However, the space ionizing radiation of different types can alter the mechanical, optical and electrical properties of polyimide films. For example, it is well known that 20-100 keV proton irradiation causes breaking of chemical bonds and destruction of the surface layer in polyimide, deterioration of its optical properties, etc. In low-Earth orbits serious danger for polymeric materials is atomic oxygen of the upper atmosphere of the Earth, which is the main component in the range of heights of 200-800 km. Due to the orbital spacecraft velocity, the collision energy of oxygen atoms with the surface ( 5 eV) enhances their reactivity and opens additional pathways of their reaction with near-surface layers of materials. Hyperthermal oxygen atom flow causes erosion of the polyimide surface by breaking chemical bonds and forming of volatiles products (primarily, CO and CO _{2}), which leads to mass losses and degradation of material properties. Combined effect of protons and oxygen plasma is expected to give rise to synergistic effects enhancing the destruction of polyimide surface layers. This paper describes experimental investigation of polyimide films sequential irradiation with protons and oxygen plasma. The samples were irradiated by 500 keV protons at fluences of 10 ^{14}-10 ^{16} cm ^{-2} produced with SINP cascade generator KG-500 and 5-20 eV neutral oxygen atoms at fluence of 10 ^{20} cm ^{-2} generated by SINP magnetoplasmodynamics accelerator. The proton bombardment causes the decrease in optical transmission coefficient of samples, but their transmittance recovers partially after the exposure to oxygen plasma. The results of the comparative analysis of polyimide optical transmission spectra, Raman and XPS spectra obtained at different stages of the irradiation of samples, data on mass loss of samples due to erosion of the surface are given. The report also presents the results of computer simulation of protons and oxygen atoms interaction with polyimide, and a comparison of the experimental and calculated data.

Self-proton/ion radiography of laser-produced proton/ion beam from thin foil targets

NASA Astrophysics Data System (ADS)

Paudel, Y.; Renard-Le Galloudec, N.; Nicolai, Ph.; d'Humieres, E.; Ya. Faenov, A.; Kantsyrev, V. L.; Safronova, A. S.; Shrestha, I.; Osborne, G. C.; Shlyaptseva, V. V.; Sentoku, Y.

2012-12-01

Protons and multicharged ions generated from high-intensity laser interactions with thin foil targets have been studied with a 100 TW laser system. Protons/ions with energies up to 10 MeV are accelerated either from the front or the rear surface of the target material. We have observed for the first time that the protons/ions accelerated from the front surface of the target, in a direction opposite to the laser propagation direction, are turned around and pulled back to the rear surface, in the laser propagation direction. This proton/ion beam is able to create a self-radiograph of the target and glass stalk holding the target itself recorded through the radiochromic film stack. This unique result indicates strong long-living (ns time scale) magnetic fields present in the laser-produced plasma, which are extremely important in energy transport during the intense laser irradiation. The magnetic field from laser main pulse expands rapidly in the preformed plasma to rotate the laser produced protons. Radiation hydrodynamic simulations and ray tracing found that the magnetic field created by the amplified spontaneous emission prepulse is not sufficient to explain the particle trajectories, but the additional field created by the main pulse interaction estimated from particle-in-cell simulation is able to change the particle trajectories.

Towards a better understanding of tidal dissipation at corotation layers in differentially rotating stars and planets

NASA Astrophysics Data System (ADS)

Astoul, A.; Mathis, S.; Baruteau, C.; André, Q.

2017-12-01

Star-planet tidal interactions play a significant role in the dynamical evolution of close-in planetary systems. We investigate the propagation and dissipation of tidal inertial waves in a stellar/planetary convective region. We take into account a latitudinal differential rotation for the background flow, similar to what is observed in the envelope of low-mass stars like the Sun. Previous works have shown that differential rotation significantly alters the propagation and dissipation properties of inertial waves. In particular, when the Doppler-shifted tidal frequency vanishes in the fluid, a critical layer forms where tidal dissipation can be greatly enhanced. Our present work develops a local analytic model to better understand the propagation and dissipation properties of tidally forced inertial waves at critical layers.

QM/MM Calculation of the Enzyme Catalytic Cycle Mechanism for Copper- and Zinc-Containing Superoxide Dismutase.

PubMed

Lintuluoto, Masami; Yamada, Chiaki; Lintuluoto, Juha M

2017-08-03

The entire enzyme catalytic mechanism including the electron and the proton transfers of the copper- and zinc-containing extracellular superoxide dismutase (SOD3) was investigated by using QM/MM method. In the first step, the electron transfer from O 2 ·- to SOD3 occurred without the bond formation between the donor and the acceptor and formed the triplet oxygen molecule and reduced SOD3. In the reduced SOD3, the distorted tetrahedral structure of Cu(I) atom was maintained. The reduction of Cu(II) atom induced the protonation of His113, which bridges between the Cu(II) and Zn(II) atoms in the resting state. Since the protonation of His113 broke the bond between Cu(I) and His113, three-coordinated Cu(I) was formed. Further, we suggest the binding of O 2 ·- formed hydrogen peroxide and the resting state after both the Cu reduction and the protonation of His113. The protonation of His113 caused the conformational change of Arg186 located at the entrance of the reactive site. The electrostatic potential surface around the reactive site showed that Arg186 plays an important role as electrostatic guidance for the negatively charged substrates only after the protonation of His113. The rotation of Arg186 switched the proton supply routes via Glu108 or Glu179 for transferring two protons from the bulk solvent.

Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study

NASA Astrophysics Data System (ADS)

Chen, Junhua; Zheng, Yang; Wang, Juan; Feng, Gang; Xia, Zhining; Gou, Qian

2017-09-01

The rotational spectrum of the 1,1-difluoroethane dimer has been investigated by pulsed-jet Fourier transform microwave spectroscopy. Two most stable isomers have been detected, which are both stabilized by a network of three C—H⋯F—C weak hydrogen bonds: in the most stable isomer, two difluoromethyl C—H groups and one methyl C—H group act as the weak proton donors whilst in the second isomer, two methyl C—H groups and one difluoromethyl C—H group act as the weak proton donors. For the global minimum, the measurements have also been extended to its four 13C isotopologues in natural abundance, allowing a precise, although partial, structural determination. Relative intensity measurements on a set of μa-type transitions allowed estimating the relative population ratio of the two isomers as NI/NII ˜ 6/1 in the pulsed jet, indicating a much larger energy gap between these two isomers than that expected from ab initio calculation, consistent with the result from pseudo-diatomic dissociation energies estimation.

Benzothiazole-Based AIEgen with Tunable Excited-State Intramolecular Proton Transfer and Restricted Intramolecular Rotation Processes for Highly Sensitive Physiological pH Sensing.

PubMed

Li, Kai; Feng, Qi; Niu, Guangle; Zhang, Weijie; Li, Yuanyuan; Kang, Miaomiao; Xu, Kui; He, Juan; Hou, Hongwei; Tang, Ben Zhong

2018-04-23

In this work, a benzothiazole-based aggregation-induced emission luminogen (AIEgen) of 2-(5-(4-carboxyphenyl)-2-hydroxyphenyl)benzothiazole (3) was designed and synthesized, which exhibited multifluorescence emissions in different dispersed or aggregated states based on tunable excited-state intramolecular proton transfer (ESIPT) and restricted intramolecular rotation (RIR) processes. 3 was successfully used as a ratiometric fluorescent chemosensor for the detection of pH, which exhibited reversible acid/base-switched yellow/cyan emission transition. More importantly, the pH jump of 3 was very precipitous from 7.0 to 8.0 with a midpoint of 7.5, which was well matched with the physiological pH. This feature makes 3 very suitable for the highly sensitive detection of pH fluctuation in biosamples and neutral water samples. 3 was also successfully used as a ratiometric fluorescence chemosensor for the detection of acidic and basic organic vapors in test papers.

Design specification for the European Spallation Source neutron generating target element

NASA Astrophysics Data System (ADS)

Aguilar, A.; Sordo, F.; Mora, T.; Mena, L.; Mancisidor, M.; Aguilar, J.; Bakedano, G.; Herranz, I.; Luna, P.; Magan, M.; Vivanco, R.; Jimenez-Villacorta, F.; Sjogreen, K.; Oden, U.; Perlado, J. M.; Martinez, J. L.; Bermejo, F. J.

2017-06-01

The paper addresses some of the most relevant issues concerning the thermal hydraulics and radiation damage of the neutron generation target to be built at the European Spallation Source as recently approved after a critical design review. The target unit consists of a set of Tungsten blocks placed inside a wheel of 2.5 m diameter which rotates at some 0.5 Hz in order to distribute the heat generated from incoming protons which reach the target in the radial direction. The spallation material elements are composed of an array of Tungsten pieces which rest on a rotating steel support (the cassette) and are distributed in a cross-flow configuration. The thermal, mechanical and radiation effects resulting from the impact of a 2 GeV proton pulse are analysed in detail as well as an evaluation of the inventory of spallation products. The current design is found to conform to specifications and found to be robust enough to deal with several accident scenarios.

New Measurements of Inner Belt Proton Flux Gradients From the Van Allen Probes Mission

NASA Astrophysics Data System (ADS)

Mazur, J. E.; O'Brien, T. P.; Looper, M. D.; George, J. S.; Blake, J. B.

2013-12-01

Prior studies of 10's of MeV inner belt protons in low Earth orbit have established that the atmospheric density gradient produces a proton flux gradient because of losses to the atmosphere and the comparable sizes of the proton qyroradius and atmosphere scale height. The observable is an east-west asymmetry in the proton flux that has been reported using many low-Earth orbit missions going back to the first nuclear emulsion flights in 1963. We will revisit this low-altitude east-west effect as well as higher-altitude gradients with new measurements from the Relativistic Proton Spectrometer (RPS) on the Van Allen Probes spacecraft. RPS is a particle spectrometer designed to measure the flux, angular distribution, and energy spectrum of protons from ~60 MeV to ~2000 MeV with good rejection of penetrating backgrounds by requiring a 10-fold coincidence in its stack of silicon detectors. The Van Allen Probes orbit allows for a survey of proton gradients not only at low altitudes but also as high as the outer trapping limit at McIlwain L shell L~3 corresponding to ~13,000 km altitude. The 60 MeV proton gyroradius varies from ~50 to 700 km in this altitude range. The 1-second sampling of RPS and the nominal 5 rpm rotation rate of the Van Allen Probes yields a sensitive measure of proton gradients. This is the first time that a single mission can address the gradients and trapping of high-energy protons throughout the inner belt. We will report on preliminary flux gradients of >61 MeV protons observed during the first year of the mission using RPS and ancillary geophysical data.

Proton transfer in the K-channel analog of B-type Cytochrome c oxidase from Thermus thermophilus.

PubMed

Woelke, Anna Lena; Wagner, Anke; Galstyan, Gegham; Meyer, Tim; Knapp, Ernst-Walter

2014-11-04

A key enzyme in aerobic metabolism is cytochrome c oxidase (CcO), which catalyzes the reduction of molecular oxygen to water in the mitochondrial and bacterial membranes. Substrate electrons and protons are taken up from different sides of the membrane and protons are pumped across the membrane, thereby generating an electrochemical gradient. The well-studied A-type CcO uses two different entry channels for protons: the D-channel for all pumped and two consumed protons, and the K-channel for the other two consumed protons. In contrast, the B-type CcO uses only a single proton input channel for all consumed and pumped protons. It has the same location as the A-type K-channel (and thus is named the K-channel analog) without sharing any significant sequence homology. In this study, we performed molecular-dynamics simulations and electrostatic calculations to characterize the K-channel analog in terms of its energetic requirements and functionalities. The function of Glu-15B as a proton sink at the channel entrance is demonstrated by its rotational movement out of the channel when it is deprotonated and by its high pKA value when it points inside the channel. Tyr-244 in the middle of the channel is identified as the valve that ensures unidirectional proton transfer, as it moves inside the hydrogen-bond gap of the K-channel analog only while being deprotonated. The electrostatic energy landscape was calculated for all proton-transfer steps in the K-channel analog, which functions via proton-hole transfer. Overall, the K-channel analog has a very stable geometry without large energy barriers.

Proton Transfer in the K-Channel Analog of B-Type Cytochrome c Oxidase from Thermus thermophilus

PubMed Central

Woelke, Anna Lena; Wagner, Anke; Galstyan, Gegham; Meyer, Tim; Knapp, Ernst-Walter

2014-01-01

A key enzyme in aerobic metabolism is cytochrome c oxidase (CcO), which catalyzes the reduction of molecular oxygen to water in the mitochondrial and bacterial membranes. Substrate electrons and protons are taken up from different sides of the membrane and protons are pumped across the membrane, thereby generating an electrochemical gradient. The well-studied A-type CcO uses two different entry channels for protons: the D-channel for all pumped and two consumed protons, and the K-channel for the other two consumed protons. In contrast, the B-type CcO uses only a single proton input channel for all consumed and pumped protons. It has the same location as the A-type K-channel (and thus is named the K-channel analog) without sharing any significant sequence homology. In this study, we performed molecular-dynamics simulations and electrostatic calculations to characterize the K-channel analog in terms of its energetic requirements and functionalities. The function of Glu-15B as a proton sink at the channel entrance is demonstrated by its rotational movement out of the channel when it is deprotonated and by its high pKA value when it points inside the channel. Tyr-244 in the middle of the channel is identified as the valve that ensures unidirectional proton transfer, as it moves inside the hydrogen-bond gap of the K-channel analog only while being deprotonated. The electrostatic energy landscape was calculated for all proton-transfer steps in the K-channel analog, which functions via proton-hole transfer. Overall, the K-channel analog has a very stable geometry without large energy barriers. PMID:25418102

Conventional En Masse Repair Versus Separate Double-Layer Double-Row Repair for the Treatment of Delaminated Rotator Cuff Tears.

PubMed

Kim, Yang-Soo; Lee, Hyo-Jin; Jin, Hong-Ki; Kim, Sung-Eun; Lee, Jin-Woo

2016-05-01

The rotator cuff tendon is known to exert a shear force between the superficial and deep layers. Owing to this characteristic, separate repair of delaminated rotator cuff tears has been introduced for the restoration of the physiological biomechanics of the rotator cuff. However, whether conventional en masse repair or separate repair is superior is controversial in terms of outcomes. To compare clinical outcomes between conventional en masse repair and separate double-layer double-row repair for the treatment of delaminated rotator cuff tears. Randomized controlled study; Level of evidence, 2. Between August 2007 and March 2014, a total of 82 patients who underwent arthroscopic rotator cuff repair of a delaminated tear were enrolled and randomized into 2 groups. In group 1 (n = 48), arthroscopic conventional en masse repair was performed. In group 2 (n = 34), separate double-layer double-row repair was performed. The American Shoulder and Elbow Surgeons score, Constant score, Simple Shoulder Test score, and visual analog scale (VAS) score for pain and range of motion (ROM) were assessed before surgery; at 3, 6, and 12 months after surgery; and at the last follow-up visit. Magnetic resonance imaging (MRI) was performed at 12 months postoperatively to examine the retear rate and pattern. There was no significant difference between groups in the preoperative demographic data, including patient age, sex, symptom duration, tear size, and functional scores (P > .05). The mean follow-up period was 25.9 ± 1.2 months. Significant improvements in functional and pain scores were observed in both groups at the last follow-up visit. However, no significant differences in functional scores and ROM were found between the 2 groups at each time point, except that group 2 had significantly lower VAS pain scores (P < .05) at 3, 6, and 12 months postoperatively. Eight (17%) of 48 patients in group 1 and 6 (18%) of 34 patients in group 2 showed retears on MRI at 12-month follow-up (P > .05). Both conventional en masse repair and separate double-layer double-row repair were effective in improving clinical outcomes in the treatment of delaminated rotator cuff tears. Lower pain scores were seen in patients who underwent separate double-layer double-row repair. © 2016 The Author(s).

Relativistic particle transport in hot accretion disks

NASA Technical Reports Server (NTRS)

Becker, Peter A.; Kafatos, Menas; Maisack, Michael

1994-01-01

Accretion disks around rapidly rotating black holes provide one of the few plausible models for the production of intense radiation in Acitve Galactic Nuclei (AGNs) above energies of several hundred MeV. The rapid rotation of the hole increases the binding energy per nucleon in the last stable orbit relative to the Schwarzschild case, and naturally leads to ion temperatures in the range 10(exp 12) - 10(exp 13) K for sub-Eddington accretion rates. The protons in the hot inner region of a steady, two-temperature disk form a reservoir of energy that is sufficient to power the observed Energetic Gamma Ray Experiment Telescope (EGRET) outbursts if the black hole mass is 10(exp 10) solar mass. Moreover, the accretion timescale for the inner region is comparable to the observed transient timescale of approximately 1 week. Hence EGRET outbursts may be driven by instabilities in hot, two-temperature disks around supermassive black holes. In this paper we discuss turbulent (stochastic) acceleration in hot disks as a possible source of GeV particles and radiation. We constrain the model by assuming the turbulence is powered by a collective instability that drains energy from the hot protons. We also provide some ideas concerning new, high-energy Penrose processes that produce GeV emission be directly tapping the rotational energy of Kerr black holes.

Impact of nanosecond proton beam processing on nanoblocks of copper

NASA Astrophysics Data System (ADS)

Borodin, Y. V.; Mantina, A. Y.; Pak, V.; Zhang, X. X.

2017-01-01

X-ray studies in conjunction with the method of recoil nuclei and electron microscopy of irradiated plates polycrystalline Cu by nanosecond high power density proton beams (E = 120 keV; I = 80 A/cm2, t = 50 ns) showed nano block nature of the formation of structure in the surface layer target and condensed-formed film.

Rotator cuff tendon connections with the rotator cable.

PubMed

Rahu, Madis; Kolts, Ivo; Põldoja, Elle; Kask, Kristo

2017-07-01

The literature currently contains no descriptions of the rotator cuff tendons, which also describes in relation to the presence and characteristics of the rotator cable (anatomically known as the ligamentum semicirculare humeri). The aim of the current study was to elucidate the detailed anatomy of the rotator cuff tendons in association with the rotator cable. Anatomic dissection was performed on 21 fresh-frozen shoulder specimens with an average age of 68 years. The rotator cuff tendons were dissected from each other and from the glenohumeral joint capsule, and the superior glenohumeral, coracohumeral, coracoglenoidal and semicircular (rotator cable) ligaments were dissected. Dissection was performed layer by layer and from the bursal side to the joint. All ligaments and tendons were dissected in fine detail. The rotator cable was found in all specimens. It was tightly connected to the supraspinatus (SSP) tendon, which was partly covered by the infraspinatus (ISP) tendon. The posterior insertion area of the rotator cable was located in the region between the middle and inferior facets of the greater tubercle of the humerus insertion areas for the teres minor (TM), and ISP tendons were also present and fibres from the SSP extended through the rotator cable to those areas. The connection between the rotator cable and rotator cuff tendons is tight and confirms the suspension bridge theory for rotator cuff tears in most areas between the SSP tendons and rotator cable. In its posterior insertion area, the rotator cable is a connecting structure between the TM, ISP and SSP tendons. These findings might explain why some patients with relatively large rotator cuff tears can maintain seamless shoulder function.

Ion-to-Neutral Ratios and Thermal Proton Transfer in Matrix-Assisted Laser Desorption/Ionization

NASA Astrophysics Data System (ADS)

Lu, I.-Chung; Chu, Kuan Yu; Lin, Chih-Yuan; Wu, Shang-Yun; Dyakov, Yuri A.; Chen, Jien-Lian; Gray-Weale, Angus; Lee, Yuan-Tseh; Ni, Chi-Kung

2015-07-01

The ion-to-neutral ratios of four commonly used solid matrices, α-cyano-4-hydroxycinnamic acid (CHCA), 2,5-dihydroxybenzoic acid (2,5-DHB), sinapinic acid (SA), and ferulic acid (FA) in matrix-assisted laser desorption/ionization (MALDI) at 355 nm are reported. Ions are measured using a time-of-flight mass spectrometer combined with a time-sliced ion imaging detector. Neutrals are measured using a rotatable quadrupole mass spectrometer. The ion-to-neutral ratios of CHCA are three orders of magnitude larger than those of the other matrices at the same laser fluence. The ion-to-neutral ratios predicted using the thermal proton transfer model are similar to the experimental measurements, indicating that thermal proton transfer reactions play a major role in generating ions in ultraviolet-MALDI.

The Investigation and Development of Low Cost Hardware Components for Proton-Exchange Membrane Fuel Cells - Final Report

DOE Office of Scientific and Technical Information (OSTI.GOV)

George A. Marchetti

1999-12-15

Proton exchange membrane (PEM) fuel cell components, which would have a low-cost structure in mass production, were fabricated and tested. A fuel cell electrode structure, comprising a thin layer of graphite (50 microns) and a front-loaded platinum catalyst layer (600 angstroms), was shown to produce significant power densities. In addition, a PEM bipolar plate, comprising flexible graphite, carbon cloth flow-fields and an integrated polymer gasket, was fabricated. Power densities of a two-cell unit using this inexpensive bipolar plate architecture were shown to be comparable to state-of-the-art bipolar plates.

Performance of timing Resistive Plate Chambers with protons from 200 to 800 MeV

NASA Astrophysics Data System (ADS)

Machado, J.; Adamczewski-Musch, J.; Blanco, A.; Boretzky, K.; Cabanelas, P.; Cartegni, L.; Ferreira Marques, R.; Fonte, P.; Fruehauf, J.; Galaviz, D.; Heil, M.; Henriques, A.; . Ickert, G.; Körper, D.; Lopes, L.; Palka, M.; Pereira, A.; Rossi, D.; Simon, H.; Teubig, P.; Traxler, M.; Velho, P.; Altstadt, S.; Atar, L.; Aumann, T.; Bemmerer, D.; Caesar, C.; Charpy, A.; Elekes, Z.; Fiori, E.; Gasparic, I.; Gerbig, J.; Göbel, K.; Heftrich, T.; Heine, M.; Heinz, A.; Holl, M.; Ignatov, A.; Isaak, J.; Johansson, H.; Kelic-Heil, A.; Lederer, C.; Lindberg, S.; Löher, B.; Marganiec, J.; Martensson, M.; Nilsson, T.; Panin, V.; Paschalis, S.; Petri, M.; Plag, R.; Pohl, M.; Rastrepina, G.; Reifarth, R.; Reinhardt, T. P.; Röder, M.; Savran, D.; Scheit, H.; Schrock, P.; Silva, J.; Stach, D.; Strannerdahl, F.; Thies, R.; Wagner, A.; Wamers, F.; Weigand, M.

2015-01-01

A prototype composed of four resistive plate chamber layers has been exposed to quasi-monoenergetic protons produced from a deuteron beam of varying energy (200 to 800 AMeV) in experiment S406 at GSI, Darmstadt, Germany. The aim of the experiment is to characterize the response of the prototype to protons in this energy range, which deposit from 1.75 to 6 times more energy than minimum ionizing particles. Each layer, with an active area of about 2000 × 500 mm2, is made of modules containing the active gaps, all in multigap construction. Each gap is defined by 0.3 mm nylon mono-filaments positioned between 2.85 mm thick float glass electrodes. The modules are operated in avalanche mode with a non-flammable gas mixture composed of 90% C2H2F4 and 10% SF6. The signals are readout by a pick-up electrode formed by 15 copper strips (per layer), spaced at a pitch of 30 mm, connected at both sides to timing front end electronics. Results show an uniform efficiency close to 100% along with a timing resolution of around 60 ps on the entire 2000 × 500 mm2 area.

Effects of Alternating Hydrogenated and Protonated Segments in polymers on their Wettability.

NASA Astrophysics Data System (ADS)

Smith, Dennis; Traiphol, Rakchart; Cheng, Gang; Perahia, Dvora

2003-03-01

Polymers consisting of alternating hydrogenated and fluorinated segments exhibit unique interfacial characteristics governed by the components that dominate the interface. Presence of fluorine reduces the interfacial energy and is expected to decrease the adhesion to the polymer surface. Thin liquid crystalline (LC) layers of 4,4?-octyl-cyanobiphenyl, cast on top of a polymeric layer consisting of alternating methylstylbine protonated segments bridged by a fluorinated group was used as a mechanistic tool to study of interfacial effects on three parameters: wetting, interfacial alignment and surface induces structures. The liquid crystal cast on a low interfacial energy fluorinated polymeric film exhibits bulk homeotropic alignment as expected. However it fully wetted the polymer surface despite the incompatibility of the protonated LC and mainly fluorinated polymer interface. Further more, it was found to stabilize the interfacial Semitic layers to a higher temperature and induce different surface ordering that was not observed at the same temperature neither in the bulk nor at the interfaces with silicon or glass surface. These results indicate that the interfacial interactions of polymers with liquid crystals are a complex function of both surface energies and the interfacial structure of the polymer.

Comparison of histologic healing and biomechanical characteristics between repair techniques for a delaminated rotator cuff tear in rabbits.

PubMed

Cheon, Sang-Jin; Kim, Jung-Han; Gwak, Heui-Chul; Kim, Chang-Wan; Kim, Jeon-Kyo; Park, Ji-Hwan

2017-05-01

The purpose of this study was to compare histologic healing and biomechanical characteristics between 2 repair techniques (layer by layer, repair of each layer to bone separately; and whole layer, repair of each layer to the bone en masse) for delaminated rotator cuff tear. Rabbits were used as subjects and classified into 2 groups: group A, right side, the layer-by-layer repair group; and group B, left side, the whole-layer repair group. Histologic evaluations were done at 3 weeks (n = 7) and 6 weeks (n = 4) after operation. Biomechanical tests to evaluate the tensile property were done at time 0 (n = 5) and 3 weeks (n = 5) after operation. Histologic healing improved in all groups. A smaller cleft was found between layers in group B compared with the cleft in group A at 3 weeks after operation. At time 0, group A showed a higher yield load and ultimate failure load (67 ± 10.5 N and 80 ± 7.8 N, respectively). However, at 3 weeks after operation, group B showed a higher yield load (48 ± 7.6 N). In the delaminated rotator cuff tear model in the rabbit, the whole-layer repair showed a narrow gap between layers and a higher yield load at 3 weeks after operation. Surgical techniques that unite the cleft in a delaminated tear could improve biomechanical strength after operation. Copyright © 2017 Journal of Shoulder and Elbow Surgery Board of Trustees. Published by Elsevier Inc. All rights reserved.

Proton exchange membrane micro fuel cells on 3D porous silicon gas diffusion layers

NASA Astrophysics Data System (ADS)

Kouassi, S.; Gautier, G.; Thery, J.; Desplobain, S.; Borella, M.; Ventura, L.; Laurent, J.-Y.

2012-10-01

Since the 90's, porous silicon has been studied and implemented in many devices, especially in MEMS technology. In this article, we present a new approach to build miniaturized proton exchange membrane micro-fuel cells using porous silicon as a hydrogen diffusion layer. In particular, we propose an innovative process to build micro fuel cells from a “corrugated iron like” 3D structured porous silicon substrates. This structure is able to increase up to 40% the cell area keeping a constant footprint on the silicon wafer. We propose here a process route to perform electrochemically 3D porous gas diffusion layers and to deposit fuel cell active layers on such substrates. The prototype peak power performance was measured to be 90 mW cm-2 in a “breathing configuration” at room temperature. These performances are less than expected if we compare with a reference 2D micro fuel cell. Actually, the active layer deposition processes are not fully optimized but this prototype demonstrates the feasibility of these 3D devices.

QUAGMIRE v1.3: a quasi-geostrophic model for investigating rotating fluids experiments

NASA Astrophysics Data System (ADS)

Williams, P. D.; Haine, T. W. N.; Read, P. L.; Lewis, S. R.; Yamazaki, Y. H.

2008-09-01

QUAGMIRE is a quasi-geostrophic numerical model for performing fast, high-resolution simulations of multi-layer rotating annulus laboratory experiments on a desktop personal computer. The model uses a hybrid finite-difference/spectral approach to numerically integrate the coupled nonlinear partial differential equations of motion in cylindrical geometry in each layer. Version 1.3 implements the special case of two fluid layers of equal resting depths. The flow is forced either by a differentially rotating lid, or by relaxation to specified streamfunction or potential vorticity fields, or both. Dissipation is achieved through Ekman layer pumping and suction at the horizontal boundaries, including the internal interface. The effects of weak interfacial tension are included, as well as the linear topographic beta-effect and the quadratic centripetal beta-effect. Stochastic forcing may optionally be activated, to represent approximately the effects of random unresolved features. A leapfrog time stepping scheme is used, with a Robert filter. Flows simulated by the model agree well with those observed in the corresponding laboratory experiments.

QUAGMIRE v1.3: a quasi-geostrophic model for investigating rotating fluids experiments

NASA Astrophysics Data System (ADS)

Williams, P. D.; Haine, T. W. N.; Read, P. L.; Lewis, S. R.; Yamazaki, Y. H.

2009-02-01

QUAGMIRE is a quasi-geostrophic numerical model for performing fast, high-resolution simulations of multi-layer rotating annulus laboratory experiments on a desktop personal computer. The model uses a hybrid finite-difference/spectral approach to numerically integrate the coupled nonlinear partial differential equations of motion in cylindrical geometry in each layer. Version 1.3 implements the special case of two fluid layers of equal resting depths. The flow is forced either by a differentially rotating lid, or by relaxation to specified streamfunction or potential vorticity fields, or both. Dissipation is achieved through Ekman layer pumping and suction at the horizontal boundaries, including the internal interface. The effects of weak interfacial tension are included, as well as the linear topographic beta-effect and the quadratic centripetal beta-effect. Stochastic forcing may optionally be activated, to represent approximately the effects of random unresolved features. A leapfrog time stepping scheme is used, with a Robert filter. Flows simulated by the model agree well with those observed in the corresponding laboratory experiments.

SU-E-J-45: The Correlation Between CBCT Flat Panel Misalignment and 3D Image Guidance Accuracy

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kenton, O; Valdes, G; Yin, L

Purpose To simulate the impact of CBCT flat panel misalignment on the image quality, the calculated correction vectors in 3D image guided proton therapy and to determine if these calibration errors can be caught in our QA process. Methods The X-ray source and detector geometrical calibration (flexmap) file of the CBCT system in the AdaPTinsight software (IBA proton therapy) was edited to induce known changes in the rotational and translational calibrations of the imaging panel. Translations of up to ±10 mm in the x, y and z directions (see supplemental) and rotational errors of up to ±3° were induced. Themore » calibration files were then used to reconstruct the CBCT image of a pancreatic patient and CatPhan phantom. Correction vectors were calculated for the patient using the software’s auto match system and compared to baseline values. The CatPhan CBCT images were used for quantitative evaluation of image quality for each type of induced error. Results Translations of 1 to 3 mm in the x and y calibration resulted in corresponding correction vector errors of equal magnitude. Similar 10mm shifts were seen in the y-direction; however, in the x-direction, the image quality was too degraded for a match. These translational errors can be identified through differences in isocenter from orthogonal kV images taken during routine QA. Errors in the z-direction had no effect on the correction vector and image quality.Rotations of the imaging panel calibration resulted in corresponding correction vector rotations of the patient images. These rotations also resulted in degraded image quality which can be identified through quantitative image quality metrics. Conclusion Misalignment of CBCT geometry can lead to incorrect translational and rotational patient correction vectors. These errors can be identified through QA of the imaging isocenter as compared to orthogonal images combined with monitoring of CBCT image quality.« less

Rotation Dynamics Do Not Determine the Unexpected Isotropy of Methyl Radical EPR Spectra.

PubMed

Benetis, Nikolas P; Dmitriev, Yurij; Mocci, Francesca; Laaksonen, Aatto

2015-09-03

A simple first-principles electronic structure computation, further qc (quantum chemistry) computation, of the methyl radical gives three equal hf (hyperfine) couplings for the three protons with the unpaired electron. The corresponding dipolar tensors were notably rhombic and had different orientations and regular magnitude components, as they should, but what the overall A-tensor was seen by the electron spin is a different story! The final g = (2.002993, 2.002993, 2.002231) tensor and the hf coupling results obtained in vacuum, at the B3LYP/EPRIII level of theory clearly indicate that in particular the above A = (-65.19, -65.19, 62.54) MHz tensor was axial to a first approximation without considering any rotational dynamics for the CH3. This approximation was not applicable, however, for the trifluoromethyl CF3 radical, a heavier and nonplanar rotor with very anisotropic hf coupling, used here for comparison. Finally, a derivation is presented explaining why there is actually no need for the CH3 radicals to consider additional rotational dynamics in order for the electron to obtain an axially symmetric hf (hyperfine) tensor by considering the simultaneous dipolar couplings of the three protons. An additional consequence is an almost isotropic A-tensor for the electron spin of the CH3 radical. To the best of our knowledge, this point has not been discussed in the literature before. The unexpected isotropy of the EPR parameters of CH3 was solely attributed to the rotational dynamics and was not clearly separated from the overall symmetry of the species. The present theoretical results allowed a first explanation of the "forbidden" satellite lines in the CH3 EPR spectrum. The satellites are a fingerprint of the radical rotation, helping thus in distinguishing the CH3 reorientation from quantum rotation at very low temperatures.

Twisting and subunit rotation in single FOF1-ATP synthase

PubMed Central

Sielaff, Hendrik; Börsch, Michael

2013-01-01

FOF1-ATP synthases are ubiquitous proton- or ion-powered membrane enzymes providing ATP for all kinds of cellular processes. The mechanochemistry of catalysis is driven by two rotary nanomotors coupled within the enzyme. Their different step sizes have been observed by single-molecule microscopy including videomicroscopy of fluctuating nanobeads attached to single enzymes and single-molecule Förster resonance energy transfer. Here we review recent developments of approaches to monitor the step size of subunit rotation and the transient elastic energy storage mechanism in single FOF1-ATP synthases. PMID:23267178

Penetration of steady fluid motions into an outer stable layer excited by MHD thermal convection in rotating spherical shells

NASA Astrophysics Data System (ADS)

Takehiro, Shin-ichi; Sasaki, Youhei

2018-03-01

Penetration of steady magneto-hydrodynamic (MHD) disturbances into an upper strongly stratified stable layer excited by MHD thermal convection in rotating spherical shells is investigated. The theoretical model proposed by Takehiro (2015) is reexamined in the case of steady fluid motion below the bottom boundary. Steady disturbances penetrate into a density stratified MHD fluid existing in the semi-infinite region in the vertical direction. The axis of rotation of the system is tilted with respect to the vertical. The basic magnetic field is uniform and may be tilted with respect to the vertical and the rotation axis. Linear dispersion relation shows that the penetration distance with zero frequency depends on the amplitude of Alfvén wave speed. When Alfvén wave speed is small, viscous diffusion becomes dominant and penetration distance is similar to the horizontal scale of the disturbance at the lower boundary. In contrast, when Alfvén wave speed becomes larger, disturbance can penetrate deeper, and penetration distance becomes proportional to the Alfvén wave speed and inversely proportional to the geometric average of viscous and magnetic diffusion coefficients and to the total horizontal wavenumber. The analytic expression of penetration distance is in good agreement with the extent of penetration of mean zonal flow induced by finite amplitude convection in a rotating spherical shell with an upper stably stratified layer embedded in an axially uniform basic magnetic field. The theory expects that the stable layer suggested in the upper part of the outer core of the earth could be penetrated completely by mean zonal flows excited by thermal/compositional convection developing below the stable layer.

Use of π-π forces to steer the assembly of a NTA complex of Cu(II) into hydrogen bonded supramolecular layers (H 3NTA = nitrilotriacetic acid)

NASA Astrophysics Data System (ADS)

Dey, Biswajit; Choudhury, Somnath Ray; Suresh, Eringathodi; Jana, Atish Dipankar; Mukhopadhyay, Subrata

2009-03-01

We propose a crystal engineering principle where we show that it might be possible to direct the organization of molecular complexes into hydrogen bonded supramolecular layers through the use of suitable co-ligands possessing both the hydrogen-bonding as well as π-π stacking capability. This principle has been tested for the organization of [Cu(NTA) 2] units (H 3NTA = nitrilotriacetic acid, N(CH 2CO 2H) 3) in the molecular complex with formula (2-A-PH) 4[Cu(NTA) 2]·6H 2O ( 1), where 2-A-PH is protonated 2-amino-4-picoline. In 1, the 2-amino-4-picoline co-ligands have been utilized to direct the organization of [Cu(NTA) 2] units into hydrogen bonded layers. The linear stacking of π-π bonded protonated 2-amino-4-picoline molecules can be thought as the influencing agent for the organization of [Cu(NTA) 2] units into hydrogen bonded layers.

Application of a self-supporting microporous layer to gas diffusion layers of proton exchange membrane fuel cells

NASA Astrophysics Data System (ADS)

Ito, Hiroshi; Heo, Yun; Ishida, Masayoshi; Nakano, Akihiro; Someya, Satoshi; Munakata, Tetsuo

2017-02-01

The intrinsic effect of properties of a self-supporting microporous layer (MPL) on the performance of proton exchange membrane fuel cells (PEMFCs) is identified. First, a self-supporting MPL is fabricated and applied to a gas diffusion layer (GDL) of a PEMFC, when the GDL is either an integrated sample composed of a gas diffusion backing (GDB, i.e., carbon paper) combined with MPL or a sample with only MPL. Cell performance tests reveal that, the same as the MPL fabricated by the coating method, the self-supporting MPL on the GDB improves the cell performance at high current density. Furthermore, the GDL composed only of the MPL (i.e., GDB-free GDL) shows better performance than does the integrated GDB/MPL GDL. These results along with literature data strongly suggest that the low thermal conductivity of MPL induces a high temperature throughout the GDL, and thus vapor diffusion is dominant in the transport of product water through the MPL.

New insights gained on mechanisms of low-energy proton-induced SEUs by minimizing energy straggle

DOE PAGES

Dodds, Nathaniel Anson; Dodd, Paul E.; Shaneyfelt, Marty R.; ...

2015-12-01

In this study, we present low-energy proton single-event upset (SEU) data on a 65 nm SOI SRAM whose substrate has been completely removed. Since the protons only had to penetrate a very thin buried oxide layer, these measurements were affected by far less energy loss, energy straggle, flux attrition, and angular scattering than previous datasets. The minimization of these common sources of experimental interference allows more direct interpretation of the data and deeper insight into SEU mechanisms. The results show a strong angular dependence, demonstrate that energy straggle, flux attrition, and angular scattering affect the measured SEU cross sections, andmore » prove that proton direct ionization is the dominant mechanism for low-energy proton-induced SEUs in these circuits.« less

An Effective-Hamiltonian Approach to CH5+, Using Ideas from Atomic Spectroscopy

NASA Astrophysics Data System (ADS)

Hougen, Jon T.

2016-06-01

In this talk we present the first steps in the design of an effective Hamiltonian for the vibration-rotation energy levels of CH5+. Such a Hamiltonian would allow calculation of energy level patterns anywhere along the path travelled by a hypothetical CH5+ (or CD5+) molecule as it passes through various coupling cases, and might thus provide some hints for assigning the observed high-resolution spectra. The steps discussed here, which have not yet addressed computational problems, focus on mapping the vibration-rotation problem in CH5+ onto the five-electron problem in the boron atom, using ideas and mathematical machinery from Condon and Shortley's book on atomic spectroscopy. The mapping ideas are divided into: (i) a mapping of particles, (ii) a mapping of coordinates (i.e., mathematical degrees of freedom), and (iii) a mapping of quantum mechanical interaction terms. The various coupling cases along the path correspond conceptually to: (i) the analog of a free-rotor limit, where the H atoms see the central C atom but do not see each other, (ii) the low-barrier and high-barrier tunneling regimes, and (iii) the rigid-molecule limit, where the H atoms remain locked in some fixed molecular geometry. Since the mappings considered here often involve significant changes in mathematics, a number of interesting qualitative changes occur in the basic ideas when passing from B to CH5+, particularly in discussions of: (i) antisymmetrization and symmetrization ideas, (ii) n,l,ml,ms or n,l,j,mj quantum numbers, and (iii) Russell-Saunders computations and energy level patterns. Some of the mappings from B to CH5+ to be discussed are as follows. Particles: the atomic nucleus is replaced by the C atom, the electrons are replaced by protons, and the empty space between particles is replaced by an "electron soup." Coordinates: the radial coordinates of the electrons map onto the five local C-H stretching modes, the angular coordinates of the electrons map onto three rotational degrees of freedom and seven bending vibrational degrees of freedom. The half-integral electron spins map onto half-integral proton spins or onto integral deuterium spins (for CD5+). Interactions: the Coulomb attraction between nucleus and electrons maps onto a Morse-oscillator C-H stretching potential, spin-orbit interaction maps onto proton-spin-overall-rotation interaction, and Coulomb repulsion between electrons maps onto some kind of proton repulsion that leads to the equilibrium geometry.

Low proton conductance of plant cuticles and its relevance to the acid-growth theory

DOE Office of Scientific and Technical Information (OSTI.GOV)

Dreyer, S.A.; Seymour, V.; Cleland, R.E.

1981-09-01

Evidence obtained on the relation between the pH of the medium and the growth of intact stem sections is compatible with the acid-growth theory only if the proton conductance of the cuticle is an effective barrier to the entry or exit of protons from the tissue. By measuring the rate at which protons cross frozen-thawed epidermal strips of sunflower (Helianthus annus L.) and soybean hypocotyls (Glycine max Morr.) and enzymically isolated cuticles of Berberis aquifolium Persh. and tomato (Lycopersicum esculentum Mill.) fruit, we have now demonstrated the low proton conductance of the cuticular layer. Unless the conductance is enhanced bymore » abrasion of the cuticle or by removal of the cuticular waxes, proton movement into and out of a tissue across the cuticle will be significant only over long time periods.« less

Efficient monoenergetic proton beam from ultra-fast laser interaction with nanostructured targets

NASA Astrophysics Data System (ADS)

Fazeli, R.

2018-03-01

The broad energy spectrum of laser-accelerated proton beams is the most important difficulty associated with such particle sources on the way to future applications such as medical therapy, proton imaging, inertial fusion, and high-energy physics. The generation of proton beams with enhanced monoenergetic features through an ultra-intense laser interaction with optimized nanostructured targets is reported. Targets were irradiated by 40 fs laser pulses of intensity 5.5 ×1020 W c m -2 and wavelength 1 μm. The results of multi-parametric Particle-in-Cell calculations showed that proton beams with considerably reduced energy spread can be obtained by using the proposed nanostructured target. At optimized target dimensions, the proton spectrum was found to exhibit a narrow peak at about 63 MeV with a relative energy spread of ΔE /Epeak˜ 5 % which is efficiently lower than what is expected for unstructured double layer targets (˜70%).

Symmetry Beyond Perturbation Theory: Floppy Molecules and Rotation-Vibration States

NASA Astrophysics Data System (ADS)

Schmiedt, Hanno; Schlemmer, Stephan; Jensen, Per

2015-06-01

In the customary approach to the theoretical description of the nuclear motion in molecules, the molecule is seen as a near-static structure rotating in space. Vibrational motion causing small structural deformations induces a perturbative treatment of the rotation-vibration interaction, which fails in fluxional molecules, where all vibrational motions are large compared to the linear extension of the molecule. An example is protonated methane (CH_5^+). For this molecule, customary theory fails to simulate reliably even the low-energy spectrum. Within the traditional view of rotation and vibration being near-separable, rotational and vibrational wavefunctions can be symmetry classified separately in the molecular symmetry (MS) group. In the present contribution we discuss a fundamental group theoretical approach to the problem of determining the symmetries of molecular rotation-vibration states. We will show that all MS groups discussed so far are subgroups of the special orthogonal group in three dimensions SO(3) This leads to a group theoretical foundation of the technique of equivalent rotations. The MS group of protonated methane (G240) represents, to the best of our knowledge, the first example of an MS group which is not a subgroup of SO(3) (nor of O(3) nor of SU(2)). Because of this, a separate symmetry classification of vibrational and rotational wavefunctions becomes impossible in this MS group, consistent with the fact that a decoupling of vibrational and rotational motion is impossible. We want to discuss the consequences of this. In conclusion, we show that the prototypical floppy molecule CH_5^+ represents a new class of molecules, where usual group theoretical methods for determining selection rules and spectral assignments fail so that new methods have to be developed. P. Kumar and D. Marx, Physical Chemistry Chemical Physics 8, 573 (2006) Z. Jin, B. J. Braams, and J. M. Bowman, The Journal of Physical Chemistry A 110, 1569 (2006) A. S. Petit, J. E. Ford, and A. B. McCoy, The Journal of Physical Chemistry A 118, 7206 (2014). P.R. Bunker and P. Jensen, Molecular Symmetry and Spectroscopy (NRC Research Press, Ottawa, Canada, 1988 Being precise, we must include O(3) and SU(2), but our theory can be easily extended to these two groups. H. Longuet-Higgins, Molecular Physics 6, 445 (1963).

Freely Tunable Broadband Polarization Rotator for Terahertz Waves

DOE Office of Scientific and Technical Information (OSTI.GOV)

Fan, Ren-Hao; Zhou, Yu; Ren, Xiao-Ping

2014-12-28

A freely tunable polarization rotator for broadband terahertz waves is demonstrated using a three-rotating-layer metallic grating structure, which can conveniently rotate the polarization of a linearly polarized terahertz wave to any desired direction with nearly perfect conversion efficiency. This low-cost, high-efficiency, and freely tunable device has potential applications as material analysis, wireless communication, and THz imaging.

Characterization of Polyethylene-Graft-Sulfonated Polyarylsulfone Proton Exchange Membranes for Direct Methanol Fuel Cell Applications.

PubMed

Kim, Hyung Kyu; Zhang, Gang; Nam, Changwoo; Chung, T C Mike

2015-12-04

This paper examines polymer film morphology and several important properties of polyethylene-graft-sulfonated polyarylene ether sulfone (PE-g-s-PAES) proton exchange membranes (PEMs) for direct methanol fuel cell applications. Due to the extreme surface energy differences between a semi-crystalline and hydrophobic PE backbone and several amorphous and hydrophilic s-PAES side chains, the PE-g-s-PAES membrane self-assembles into a unique morphology, with many proton conductive s-PAES channels embedded in the stable and tough PE matrix and a thin hydrophobic PE layer spontaneously formed on the membrane surfaces. In the bulk, these membranes show good mechanical properties (tensile strength >30 MPa, Young's modulus >1400 MPa) and low water swelling (λ < 15) even with high IEC >3 mmol/g in the s-PAES domains. On the surface, the thin hydrophobic and semi-crystalline PE layer shows some unusual barrier (protective) properties. In addition to exhibiting higher through-plane conductivity (up to 160 mS/cm) than in-plane conductivity, the PE surface layer minimizes methanol cross-over from anode to cathode with reduced fuel loss, and stops the HO• and HO₂• radicals, originally formed at the anode, entering into PEM matrix. Evidently, the thin PE surface layer provides a highly desirable protecting layer for PEMs to reduce fuel loss and increase chemical stability. Overall, the newly developed PE-g-s-PAES membranes offer a desirable set of PEM properties, including conductivity, selectivity, mechanical strength, stability, and cost-effectiveness for direct methanol fuel cell applications.

Characterization of Polyethylene-Graft-Sulfonated Polyarylsulfone Proton Exchange Membranes for Direct Methanol Fuel Cell Applications

PubMed Central

Kim, Hyung Kyu; Zhang, Gang; Nam, Changwoo; Chung, T.C. Mike

2015-01-01

This paper examines polymer film morphology and several important properties of polyethylene-graft-sulfonated polyarylene ether sulfone (PE-g-s-PAES) proton exchange membranes (PEMs) for direct methanol fuel cell applications. Due to the extreme surface energy differences between a semi-crystalline and hydrophobic PE backbone and several amorphous and hydrophilic s-PAES side chains, the PE-g-s-PAES membrane self-assembles into a unique morphology, with many proton conductive s-PAES channels embedded in the stable and tough PE matrix and a thin hydrophobic PE layer spontaneously formed on the membrane surfaces. In the bulk, these membranes show good mechanical properties (tensile strength >30 MPa, Young’s modulus >1400 MPa) and low water swelling (λ < 15) even with high IEC >3 mmol/g in the s-PAES domains. On the surface, the thin hydrophobic and semi-crystalline PE layer shows some unusual barrier (protective) properties. In addition to exhibiting higher through-plane conductivity (up to 160 mS/cm) than in-plane conductivity, the PE surface layer minimizes methanol cross-over from anode to cathode with reduced fuel loss, and stops the HO• and HO2• radicals, originally formed at the anode, entering into PEM matrix. Evidently, the thin PE surface layer provides a highly desirable protecting layer for PEMs to reduce fuel loss and increase chemical stability. Overall, the newly developed PE-g-s-PAES membranes offer a desirable set of PEM properties, including conductivity, selectivity, mechanical strength, stability, and cost-effectiveness for direct methanol fuel cell applications. PMID:26690232

What Supergranule Flow Models Tell Us About the Sun's Surface Shear Layer and Magnetic Flux Transport

NASA Technical Reports Server (NTRS)

Hathaway, David

2011-01-01

Models of the photospheric flows due to supergranulation are generated using an evolving spectrum of vector spherical harmonics up to spherical harmonic wavenumber l1500. Doppler velocity data generated from these models are compared to direct Doppler observations from SOHO/MDI and SDO/HMI. The models are adjusted to match the observed spatial power spectrum as well as the wavenumber dependence of the cell lifetimes, differential rotation velocities, meridional flow velocities, and relative strength of radial vs. horizontal flows. The equatorial rotation rate as a function of wavelength matches the rotation rate as a function of depth as determined by global helioseismology. This leads to the conclusions that the cellular structures are anchored at depths equal to their widths, that the surface shear layer extends to at least 70 degrees latitude, and that the poleward meridional flow decreases in amplitude and reverses direction at the base of the surface shear layer (approx.35 Mm below the surface). Using the modeled flows to passively transport magnetic flux indicates that the observed differential rotation and meridional flow of the magnetic elements are directly related to the differential rotation and meridional flow of the convective pattern itself. The magnetic elements are transported by the evolving boundaries of the supergranule pattern (where the convective flows converge) and are unaffected by the weaker flows associated with the differential rotation or meridional flow of the photospheric plasma.

[Clinical research of arthroscopic separate double-layer suture bridge technique for delaminated rotator cuff tear].

PubMed

Ren, Jiangtao; Xu, Cong; Liu, Xianglin; Wang, Jiansong; Li, Zhihuai; Lü, Yongming

2017-10-01

To explore the effectiveness of the arthroscopic separate double-layer suture bridge technique in treatment of the delaminated rotator cuff tear. Between May 2013 and May 2015, 54 patients with the delaminated rotator cuff tears were recruited in the study. They were randomly allocated into 2 groups to receive repair either using arthroscopic separate double-layer suture bridge technique (trial group, n =28) or using arthroscopic whole-layer suture bridge technique (control group, n =26). There was no significant difference in gender, age, injured side, tear type, and preoperative visual analogue scale (VAS) score, Constants score, American Shoulder and Elbow Surgeons (ASES) score, University of California Los Angeles (UCLA) score, and the range of motion of shoulder joint between 2 groups ( P >0.05). Postoperative functional scores, range of motion, and recurrence rate of tear in 2 groups were observed and compared. The operation time was significant longer in trial group than in control group ( t =8.383, P =0.000). All incisions healed at stage Ⅰ without postoperative complication. All the patients were followed up 12 months. At 12 months postoperatively, the UCLA score, ASES score, VAS score, Constant score, and the range of motion were significantly improved when compared with the preoperative values in 2 groups ( P <0.05). However there was no significant difference in above indexes between 2 groups ( P >0.05). Four cases (14.3%) of rotator cuff tear recurred in trial group while 5 cases (19.2%) in control group, showing no significant difference ( χ 2 =0.237, P =0.626). Compared with the arthroscopic whole-layer suture bridge technique, arthroscopic separate double-layer suture bridge technique presents no significant difference in the shoulder function score, the range of motion, and recurrence of rotator cuff tear, while having a longer operation time.

Electronic properties of deep-level defects in proton irradiated AlGaAs-GaAs solar cells

NASA Technical Reports Server (NTRS)

Li, S. S.

1981-01-01

Deep level transient spectroscopy and capacitance voltage techniques as well as analysis of the forward current voltage (I-V) characteristics and SEM-EIC data were carried out for proton irradiated GaAs solar cells over a wide range of proton energies and proton fluences. Defect and recombination parameters such as defect energy levels and density, carrier capture cross sections and lifetimes as well as diffusion lengths in the undoped n-GaAs LPE layers were determined. Good correlation between these defect parameters and solar cell performance parameters was obtained for GaAs solar cells irradiated by 200 and 290 KeV protons. It was found that 200 to 290 KeV protons will produce the most defects and damages to the GaAs solar cell structure used. The influence of the low temperature (200 to 400 C) periodic thermal annealing on the deep level defects and the performance of the 200 KeV proton irradiated cells is discussed.

FT-IR study and solvent-implicit and explicit effect on stepwise tautomerism of Guanylurea: M06-2X as a case of study.

PubMed

Karimzadeh, Morteza; Manouchehri, Neda; Saberi, Dariush; Niknam, Khodabakhsh

2018-06-15

All 66 conformers of guanylurea were optimized and frequency calculations were performed at M06-2X/6-311++G(d,p) level of theory. Theses conformers were categorized into five tautomers, and the most stable conformer of each tautomer were found. Geometrical parameters indicated that these tautomers have almost planar structure. Complete stepwise tautomerism were studied through both intramolecular proton transfer routs and internal rotations. Results indicated that the proton transfer routs involving four-membered heterocyclic structures were rate-determining steps. Also, intramolecular proton movement having six-membered transition state structures had very low energy barrier comparable to the transition states of internal rotation routs. Differentiation of studied tautomers could easily be done through their FT-IR spectra in the range of 3200 to 3900cm -1 by comparing absorption bands and intensity of peaks. Solvent-implicit effects on the stability of tautomers were also studied through re-optimization and frequency calculation in four solvents. Water, DMSO, acetone and toluene had stabilization effect on all considered tautomers, but the order of stabilization effect was as follows: water>DMSO>acetone>toluene. Finally, solvent-explicit, base-explicit and acid-explicit effect were also studied by taking place of studied tautomer nearside of acid, base or solvent and optimization of them. Frequency calculation for proton movement by contribution of explicit effect showed that formic acid had a very strong effect on proton transfer from tautomer A1 to tautomer D8 by lowering the energy barrier from 42.57 to 0.8kcal/mol. In addition, ammonia-explicit effect was found to lower the barrier from 42.57 to 22.46kcal/mol, but this effect is lower than that of water and methanol-explicit effect. Copyright © 2018 Elsevier B.V. All rights reserved.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huh, S; Lee, S; Dagan, R

Purpose: To investigate the feasibility of utilizing Dynamic Arc (DA) and IMRT with 5mm MLC leaf of VERO treatment unit for SRS/FSRT brain cancer patients with non-invasive stereotactic treatments. The DA and IMRT plans using the VERO unit (BrainLab Inc, USA) are compared with cone-based planning and proton plans to evaluate their dosimetric advantages. Methods: The Vero treatment has unique features like no rotational or translational movements of the table during treatments, Dynamic Arc/IMRT, tracking of IR markers, limitation of Ring rotation. Accuracies of the image fusions using CBCT, orthogonal x-rays, and CT are evaluated less than ∼ 0.7mm withmore » a custom-made target phantom with 18 hidden targets. 1mm margin is given to GTV to determine PTV for planning constraints considering all the uncertainties of planning computer and mechanical uncertainties of the treatment unit. Also, double-scattering proton plans with 6F to 9F beams and typical clinical parameters, multiple isocenter plans with 6 to 21 isocenters, and DA/IMRT plans are evaluated to investigate the dosimetric advantages of the DA/IMRT for complex shape of targets. Results: 3 Groups of the patients are divided: (1) Group A (complex target shape), CI's are same for IMRT, and DGI of the proton plan are better by 9.5% than that of the IMRT, (2) Group B, CI of the DA plans (1.91+/−0.4) are better than cone-based plan, while DGI of the DA plan is 4.60+/−1.1 is better than cone-based plan (5.32+/−1.4), (3) Group C (small spherical targets), CI of the DA and cone-based plans are almost the same. Conclusion: For small spherical targets, cone-based plans are superior to other 2 plans: DS proton and DA plans. For complex or irregular plans, dynamic and IMRT plans are comparable to cone-based and proton plans for complex targets.« less

Computation of turbulent boundary layers on curved surfaces, 1 June 1975 - 31 January 1976

NASA Technical Reports Server (NTRS)

Wilcox, D. C.; Chambers, T. L.

1976-01-01

An accurate method was developed for predicting effects of streamline curvature and coordinate system rotation on turbulent boundary layers. A new two-equation model of turbulence was developed which serves as the basis of the study. In developing the new model, physical reasoning is combined with singular perturbation methods to develop a rational, physically-based set of equations which are, on the one hand, as accurate as mixing-length theory for equilibrium boundary layers and, on the other hand, suitable for computing effects of curvature and rotation. The equations are solved numerically for several boundary layer flows over plane and curved surfaces. For incompressible boundary layers, results of the computations are generally within 10% of corresponding experimental data. Somewhat larger discrepancies are noted for compressible applications.

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: Comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Benabbas, Abdelkrim; Salna, Bridget; Sage, J. Timothy

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical “gating” distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotopemore » effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.« less

Free H₂ rotation vs Jahn-Teller constraints in the nonclassical trigonal (TPB)Co-H₂ complex.

PubMed

Gunderson, William A; Suess, Daniel L M; Fong, Henry; Wang, Xiaoping; Hoffmann, Christina M; Cutsail, George E; Peters, Jonas C; Hoffman, Brian M

2014-10-22

Proton exchange within the M-H2 moiety of (TPB)Co(H2) (Co-H2; TPB = B(o-C6H4P(i)Pr2)3) by 2-fold rotation about the M-H2 axis is probed through EPR/ENDOR studies and a neutron diffraction crystal structure. This complex is compared with previously studied (SiP(iPr)3)Fe(H2) (Fe-H2) (SiP(iPr)3 = [Si(o-C6H4P(i)Pr2)3]). The g-values for Co-H2 and Fe-H2 show that both have the Jahn-Teller (JT)-active (2)E ground state (idealized C3 symmetry) with doubly degenerate frontier orbitals, (e)(3) = [|mL ± 2>](3) = [x(2) - y(2), xy](3), but with stronger linear vibronic coupling for Co-H2. The observation of (1)H ENDOR signals from the Co-HD complex, (2)H signals from the Co-D2/HD complexes, but no (1)H signals from the Co-H2 complex establishes that H2 undergoes proton exchange at 2 K through rotation around the Co-H2 axis, which introduces a quantum-statistical (Pauli-principle) requirement that the overall nuclear wave function be antisymmetric to exchange of identical protons (I = 1/2; Fermions), symmetric for identical deuterons (I = 1; Bosons). Analysis of the 1-D rotor problem indicates that Co-H2 exhibits rotor-like behavior in solution because the underlying C3 molecular symmetry combined with H2 exchange creates a dominant 6-fold barrier to H2 rotation. Fe-H2 instead shows H2 localization at 2 K because a dominant 2-fold barrier is introduced by strong Fe(3d)→ H2(σ*) π-backbonding that becomes dependent on the H2 orientation through quadratic JT distortion. ENDOR sensitively probes bonding along the L2-M-E axis (E = Si for Fe-H2; E = B for Co-H2). Notably, the isotropic (1)H/(2)H hyperfine coupling to the diatomic of Co-H2 is nearly 4-fold smaller than for Fe-H2.

Deep proton tunneling in the electronically adiabatic and non-adiabatic limits: comparison of the quantum and classical treatment of donor-acceptor motion in a protein environment.

PubMed

Benabbas, Abdelkrim; Salna, Bridget; Sage, J Timothy; Champion, Paul M

2015-03-21

Analytical models describing the temperature dependence of the deep tunneling rate, useful for proton, hydrogen, or hydride transfer in proteins, are developed and compared. Electronically adiabatic and non-adiabatic expressions are presented where the donor-acceptor (D-A) motion is treated either as a quantized vibration or as a classical "gating" distribution. We stress the importance of fitting experimental data on an absolute scale in the electronically adiabatic limit, which normally applies to these reactions, and find that vibrationally enhanced deep tunneling takes place on sub-ns timescales at room temperature for typical H-bonding distances. As noted previously, a small room temperature kinetic isotope effect (KIE) does not eliminate deep tunneling as a major transport channel. The quantum approach focuses on the vibrational sub-space composed of the D-A and hydrogen atom motions, where hydrogen bonding and protein restoring forces quantize the D-A vibration. A Duschinsky rotation is mandated between the normal modes of the reactant and product states and the rotation angle depends on the tunneling particle mass. This tunnel-mass dependent rotation contributes substantially to the KIE and its temperature dependence. The effect of the Duschinsky rotation is solved exactly to find the rate in the electronically non-adiabatic limit and compared to the Born-Oppenheimer (B-O) approximation approach. The B-O approximation is employed to find the rate in the electronically adiabatic limit, where we explore both harmonic and quartic double-well potentials for the hydrogen atom bound states. Both the electronically adiabatic and non-adiabatic rates are found to diverge at high temperature unless the proton coupling includes the often neglected quadratic term in the D-A displacement from equilibrium. A new expression is presented for the electronically adiabatic tunnel rate in the classical limit for D-A motion that should be useful to experimentalists working near room temperature. This expression also holds when a broad protein conformational distribution of D-A equilibrium distances dominates the spread of the D-A vibrational wavefunction.

Atomic and molecular analysis highlights the biophysics of unprotonated and protonated retinal in UV and scotopic vision.

PubMed

Kubli-Garfias, Carlos; Vázquez-Ramírez, Ricardo; Cabrera-Vivas, Blanca M; Gómez-Reyes, Baldomero; Ramírez, Juan Carlos

2015-09-26

During the photoreaction of rhodopsin, retinal isomerizes, rotating the C11[double bond, length as m-dash]C12 π-bond from cis to an all-trans configuration. Unprotonated (UR) or protonated (PR) retinal in the Schiff's base (SB) is related to UV and light vision. Because the UR and PR have important differences in their physicochemical reactivities, we compared the atomic and molecular properties of these molecules using DFT calculations. The C10-C11[double bond, length as m-dash]C12-C13 dihedral angle was rotated from 0° to 180° in 45° steps, giving five conformers, and the following were calculated from them: atomic orbital (AO) contributions to the HOMO and LUMO, atomic charges, bond length, bond order, HOMO, LUMO, hardness, electronegativity, polarizability, electrostatic potential, UV-vis spectra and dipole moment (DM). Similarly, the following were analyzed: the energy profile, hybridization, pyramidalization and the hydrogen-out-of-plane (HOOP) wagging from the H11-C11[double bond, length as m-dash]C12-H12 dihedral angle. In addition, retinal with a water H-bond (HR) in the SB was included for comparison. Interestingly, in the PR, C11 and C12 are totally the LUMO and the HOMO, respectively, and have a large electronegativity difference, which predicts an electron jump in these atoms during photoexcitation. At the same time, the PR showed a longer bond length and lower bond order, with a larger DM, lower HOMO-LUMO gap, lower hardness and higher electronegativity. In addition, the AOs of -45° and -90° conformers changed significantly, from pz to py, during the rotation concomitantly with marked hybridization, smooth pyramidalization and lower HOOP activity. Clearly, the atomic and molecular differences between the UR and PR are overwhelming, including the rotational energy profile and light absorption spectra, which indicates that light absorption of UR and PR is already determined by the retinal characteristics of the SB protonation. The HR-model compared with UR shows a lower energy barrier and a discreet bathochromic effect in the UV region.

The stability of a thin water layer over a rotating disk revisited

NASA Astrophysics Data System (ADS)

Poncet, Sébastien

2014-08-01

The flow driven by a rotating disk of a thin fluid layer in a fixed cylindrical casing is studied by direct numerical simulation and experimental flow visualizations. The characteristics of the flow are first briefly discussed but the focus of this work is to understand the transition to the primary instability. The primary bifurcation is 3D and appears as spectacular sharp-cornered polygonal patterns located along the shroud. The stability diagram is established experimentally in a ( Re, G plane, where G is the aspect ratio of the cavity and Re the rotational Reynolds number and confirmed numerically. The number of vortices scales well with the Ekman number based on the water depth, which confirms the existence of a Stewartson layer along the external cylinder. The critical mixed Reynolds number is found to be constant as in other rotating flows involving a shear-layer instability. Hysteresis cycles are observed highlighting the importance of the spin-up and spin-down processes. In some particular cases, a crossflow instability appears under the form of high azimuthal wave number spiral patterns, similar to those observed in a rotor-stator cavity with throughflow and coexists with the polygons. The DNS calculations confirm the experimental results under the flat free surface hypothesis.

Amide proton spin-lattice relaxation in polypeptides. A field-dependence study of the proton and nitrogen dipolar interactions in alumichrome.

PubMed

Llinás, M; Klein, M P; Wüthrich, K

1978-12-01

The proton nuclear magnetic resonance (NMR) spin-lattice relaxation of all six amides of deferriferrichrome and of various alumichromes dissolved in hexadeutero-dimethylsulfoxide have been investigated at 100, 220, and 360 MHz. We find that, depending on the type of residue (glycyl or ornithyl), the amide proton relaxation rates are rather uniform in the metal-free cyclohexapeptide. In contrast, the (1)H spinlattice relaxation times (T(1)'s) are distinct in the Al(3+)-coordination derivative. Similar patterns are observed in a number of isomorphic alumichrome homologues that differ in single-site residue substitutions, indicating that the spin-lattice relaxation rate is mainly determined by dipole-dipole interactions within a rigid molecular framework rather than by the specific primary structures. Analysis of the data in terms of (1)H-(1)H distances (r) calculated from X-ray coordinates yields a satisfactory linear fit between T(1) (-1) and Sigmar(-6) at the three magnetic fields. Considering the very sensitive r-dependence of T(1), the agreement gives confidence, at a quantitative level, both on the fitness of the crystallographic model to represent the alumichromes' solution conformation and on the validity of assuming isotropic rotational motion for the globular metallopeptides. An extra contribution to the amide proton T(1) (-1) is proposed to mainly originate from the (1)H-(14)N dipolar interaction: this was supported by comparison with measurements on an (15)N-enriched peptide. The nitrogen dipolar contribution to the peptide proton relaxation is discussed in the context of {(1)H}-(1)H nuclear Overhauser enhancement (NOE) studies because, especially at high fields, it can be dominant in determining the amide proton relaxation rates and hence result in a decreased effectiveness for the (1)H-(1)H dipolar mechanism to cause NOE's. From the slope and intersect values of T(1) (-1) vs. Sigmar(-6) linear plots, a number of independent estimates of tau(r), the rotational correlation time, were derived. These and the field-dependence of the T(1)'s yield a best estimate approximately 0.37 ns, in good agreement with 0.38 ns [unk] [unk] 0.41 ns, previously determined from (13)C and (15)N spin-lattice relaxation data.

Steady Flow Generated by a Core Oscillating in a Rotating Spherical Cavity

NASA Astrophysics Data System (ADS)

Kozlov, V. G.; Subbotin, S. V.

2018-01-01

Steady flow generated by oscillations of an inner solid core in a fluid-filled rotating spherical cavity is experimentally studied. The core with density less than the fluid density is located near the center of the cavity and is acted upon by a centrifugal force. The gravity field directed perpendicular to the rotation axis leads to a stationary displacement of the core from the rotation axis. As a result, in the frame of reference attached to the cavity, the core performs circular oscillation with frequency equal to the rotation frequency, and its center moves along a circular trajectory in the equatorial plane around the center of the cavity. For the differential rotation of the core to be absent, one of the poles of the core is connected to the nearest pole of the cavity with a torsionally elastic, flexible fishing line. It is found that the oscillation of the core generates axisymmetric azimuthal fluid flow in the cavity which has the form of nested liquid columns rotating with different angular velocities. Comparison with the case of a free oscillating core which performs mean differential rotation suggests the existence of two mechanisms of flow generation (due to the differential rotation of the core in the Ekman layer and due to the oscillation of the core in the oscillating boundary layers).

High-Aspect-Ratio Rotating Cell-Culture Vessel

NASA Technical Reports Server (NTRS)

Wolf, David A.; Sams, Clarence; Schwarz, Ray P.

1992-01-01

Cylindrical rotating cell-culture vessel with thin culture-medium layer of large surface area provides exchange of nutrients and products of metabolism with minimal agitation. Rotation causes averaging of buoyant forces otherwise separating components of different densities. Vessel enables growth of cells in homogeneous distribution with little agitation and little shear stress.

Demonstrating Proof by Contrapositive and Contradiction through Physical Analogs.

ERIC Educational Resources Information Center

Kaiser, Mark J.

1993-01-01

Presents examples where mathematical and physical reasoning complement each other in interpreting and analyzing some basic science concepts using proof by contradiction and contrapositive. Examples involve the rotation of the moon, the stability of electrons and protons, the electron's orbit about the nucleus, and the earth's liquid core. (MDH)

The rotational spectrum of the water-hydroperoxy radical (H2O-HO2) complex.

PubMed

Suma, Kohsuke; Sumiyoshi, Yoshihiro; Endo, Yasuki

2006-03-03

Peroxy radicals and their derivatives are elusive but important intermediates in a wide range of oxidation processes. We observed pure rotational transitions of the water-hydroperoxy radical complex, H2O-HO2, in a supersonic jet by means of a Fourier transform microwave spectrometer combined with a double-resonance technique. The observed rotational transitions were found to split into two components because of the internal rotation of the water moiety. The molecular constants for the two components were determined precisely, supporting a molecular structure in which HO2 acts as a proton donor to form a nearly planar five-membered ring, and one hydrogen atom of water sticks out from the ring plane. The structure and the spectral splittings due to internal rotation provide information on the nature of the bonding interaction between open- and closed-shell species, and they also provide accurate transition frequencies that are applicable to remote sensing of this complex, which may elucidate its potential roles in atmospheric and combustion chemistry.

Preparations of an inorganic-framework proton exchange nanochannel membrane

NASA Astrophysics Data System (ADS)

Yan, X. H.; Jiang, H. R.; Zhao, G.; Zeng, L.; Zhao, T. S.

2016-09-01

In this work, a proton exchange membrane composed of straight and aligned proton conducting nanochannels is developed. Preparation of the membrane involves the surface sol-gel method assisted with a through-hole anodic aluminum oxide (AAO) template to form the framework of the PEM nanochannels. A monomolecular layer (SO3Hsbnd (CH2)3sbnd Sisbnd (OCH3)3) is subsequently added onto the inner surfaces of the nanochannels to shape a proton-conducting pathway. Straight nanochannels exhibit long range order morphology, contributing to a substantial improvement in the proton mobility and subsequently proton conductivity. In addition, the nanochannel size can be altered by changing the surface sol-gel condition, allowing control of the active species/charge carrier selectivity via pore size exclusion. The proton conductivity of the nanochannel membrane is reported as high as 11.3 mS cm-1 at 70 °C with a low activation energy of 0.21 eV (20.4 kJ mol-1). First-principle calculations reveal that the activation energy for proton transfer is impressively low (0.06 eV and 0.07 eV) with the assistance of water molecules.

Designing safer composite helmets to reduce rotational accelerations during oblique impacts.

PubMed

Mosleh, Yasmine; Cajka, Martin; Depreitere, Bart; Vander Sloten, Jos; Ivens, Jan

2018-05-01

Oblique impact is the most common accident situation that occupants in traffic accidents or athletes in professional sports experience. During oblique impact, the human head is subjected to a combination of linear and rotational accelerations. Rotational movement is known to be responsible for traumatic brain injuries. In this article, composite foam with a column/matrix composite configuration is proposed for head protection applications to replace single-layer uniform foam, to better attenuate rotational movement of the head during oblique impacts. The ability of composite foam in the mitigation of rotational head movement is studied by performing finite element (FE) simulations of oblique impact on flat and helmet shape specimens. The performance of composite foam with respect to parameters such as compliance of the matrix foam and the number, size and cross-sectional shape of the foam columns is explored in detail, and subsequently an optimized structure is proposed. The simulation results show that using composite foam instead of single-layer foam, the rotational acceleration and velocity of the headform can be significantly reduced. The parametric study indicates that using a more compliant matrix foam and by increasing the number of columns in the composite foam configuration, the rotation can be further mitigated. This was confirmed by experimental results. The simulation results were also analyzed based on global head injury criteria such as head injury criterion, rotational injury criterion, brain injury criterion and generalized acceleration model for brain injury threshold which further confirmed the superior performance of composite foam versus single-layer homogeneous expanded polystyrene foam. The findings of simulations give invaluable information for design of protective helmets or, for instance, headliners for the automotive industry.

Engineering new properties in PbTiO3 based superlattices: compositionally broken inversion symmetry and polarization rotation

NASA Astrophysics Data System (ADS)

Dawber, Matthew

2013-03-01

In this talk I will present results on two superlattice systems which contain ultra fine layers of PbTiO3 and another perovskite material. In recent years, much work has been done on the PbTiO3/SrTiO3 system, with a focus on improper ferroelectricity and the arrangement of ferroelectric domains. Here, we consider two different partner materials for PbTiO3, each of which introduces markedly different behavior in the resulting superlattice. PbTiO3/SrRuO3 superlattices with ultra-thin SrRuO3 layers were studied both experimentally and using density functional theory. Due to the superlattice geometry, the samples show a large anisotropy in their electrical resistivity, which can be controlled by changing the thickness of the PbTiO3 layers. Therefore, along the ferroelectric direction, SrRuO3 layers can act as dielectric, rather than metallic, elements. We show that, by reducing the thickness of the PbTiO3 layers, an increasingly important effect of polarization asymmetry due to compositional inversion symmetry breaking occurs. The compositional inversion symmetry breaking is seen in this bi-color superlattice due to the combined variation of A and B site ions within the superlattice. We have also achieved an experimental enhancement of the piezoelectric response and dielectric tunability in artificially layered epitaxial PbTiO3/CaTiO3 superlattices through an engineered rotation of the polarization direction. As the relative layer thicknesses within the superlattice were changed from sample to sample we found evidence for polarization rotation in multiple x-ray diffraction measurements. Associated changes in functional properties were seen in electrical measurements and piezoforce microscopy. These results demonstrate a new approach to inducing polarization rotation under ambient conditions in an artificially layered thin film. Work supported by NSF DMR1055413

Beam-specific planning volumes for scattered-proton lung radiotherapy

NASA Astrophysics Data System (ADS)

Flampouri, S.; Hoppe, B. S.; Slopsema, R. L.; Li, Z.

2014-08-01

This work describes the clinical implementation of a beam-specific planning treatment volume (bsPTV) calculation for lung cancer proton therapy and its integration into the treatment planning process. Uncertainties incorporated in the calculation of the bsPTV included setup errors, machine delivery variability, breathing effects, inherent proton range uncertainties and combinations of the above. Margins were added for translational and rotational setup errors and breathing motion variability during the course of treatment as well as for their effect on proton range of each treatment field. The effect of breathing motion and deformation on the proton range was calculated from 4D computed tomography data. Range uncertainties were considered taking into account the individual voxel HU uncertainty along each proton beamlet. Beam-specific treatment volumes generated for 12 patients were used: a) as planning targets, b) for routine plan evaluation, c) to aid beam angle selection and d) to create beam-specific margins for organs at risk to insure sparing. The alternative planning technique based on the bsPTVs produced similar target coverage as the conventional proton plans while better sparing the surrounding tissues. Conventional proton plans were evaluated by comparing the dose distributions per beam with the corresponding bsPTV. The bsPTV volume as a function of beam angle revealed some unexpected sources of uncertainty and could help the planner choose more robust beams. Beam-specific planning volume for the spinal cord was used for dose distribution shaping to ensure organ sparing laterally and distally to the beam.

Helioseismic Constraints on the Gradient of Angular Velocity at the Base of the Solar Convection Zone

NASA Technical Reports Server (NTRS)

Kosovichev, A. G.

1996-01-01

The layer of transition from the nearly rigid rotation of the radiative interior to the latitudinal differential rotation of the convection zone plays a significant role in the internal dynamics of the Sun. Using rotational splitting coefficients of the p-mode frequencies, obtained during 1986-1990 at the Big Bear Solar Observatory, we have found that the thickness of the transitional layer is 0.09 +/- 0.04 solar radii (63 +/- 28 Mm), and that most of the transition occurs beneath the adiabatically stratified part of the convection zone, as suggested by the dynamo theories of the 22 yr solar activity cycle.

Electrical and optical characteristics of n-Zno/p-GaN hetero-junction diode fabricated by ultra-high vacuum sputter.

PubMed

Cho, Seong Gook; Lee, Dong Uk; Kim, Eun Kyu

2013-09-01

We investigated the electrical and optical properties of n-ZnO/p-GaN hetero-junction diode fabricated by an ultra-high vacuum radio frequency magnetron sputter. A physical relationship between the rotation rate during deposition process and post annealing conditions after deposited ZnO layer on p-GaN layer was discussed. When the rotation rates during deposition process of n-ZnO layer were 5 rpm and 15 rpm, the full width at half maximum of photoluminescence spectra of ZnO layer on the p-GaN layer was about 106 and 133 meV, respectively. Also, the ratio of deep level emission to near band edge emission was dramatically increased as increasing the rotation rate from 5 to 15 rpm. The n-ZnO/p-GaN hetero-junction diode grown at 5 rpm has a higher ratio of forward to reverse currents than the diode grown at 15 rpm. Also, the 600 degrees C-annealed diodes with 5 rpm showed good rectifying behavior with the barrier height of 0.74 eV, the ideality factor of 12.2, and the forward to reverse current ratio of 614 at +/- 8 V.

E 2 decay strength of the M 1 scissors mode of 156Gd and its first excited rotational state

NASA Astrophysics Data System (ADS)

Beck, T.; Beller, J.; Pietralla, N.; Bhike, M.; Birkhan, J.; Derya, V.; Gayer, U.; Hennig, A.; Isaak, J.; Löher, B.; Ponomarev, V. Yu.; Richter, A.; Romig, C.; Savran, D.; Scheck, M.; Tornow, W.; Werner, V.; Zilges, A.; Zweidinger, M.

2017-05-01

The E 2 /M 1 multipole mixing ratio δ1 →2 of the 1sc+→21+ γ -ray decay in 156Gd and hence the isovector E 2 transition rate of the scissors mode of a well-deformed rotational nucleus has been measured for the first time. It has been obtained from the angular distribution of an artificial quasimonochromatic linearly polarized γ -ray beam of energy 3.07(6) MeV scattered inelastically off an isotopically highly enriched 156Gd target. The data yield first direct support for the deformation dependence of effective proton and neutron quadrupole boson charges in the framework of algebraic nuclear models. First evidence for a low-lying Jπ=2+ member of the rotational band of states on top of the 1+ band head is obtained, too, indicating a significant signature splitting in the K =1 scissors mode rotational band.

SECOND TARGET STATION MODERATOR PERFORMANCE WITH A ROTATING TARGET

DOE Office of Scientific and Technical Information (OSTI.GOV)

Remec, Igor; Gallmeier, Franz X; Rennich, Mark J

2016-01-01

Oak Ridge National Laboratory manages and operates the Spallation Neutron Source and the High Flux Isotope Reactor, two of the world's most advanced neutron scattering facilities. Both facilities are funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Science, and are available to researchers from all over the world. Delivering cutting edge science requires continuous improvements and development of the facilities and instruments. The SNS was designed from the outset to accommodate an additional target station, or Second Target Station (STS), and an upgraded accelerator feeding proton beams to STS and the existing First Targetmore » Station (FTS). Upgrade of the accelerator and the design and construction of STS are being proposed. The presently considered STS configuration is driven with short (<1 s) proton pulses at 10 Hz repetition rate and 467 kW proton beam power, and is optimized for high intensity and high resolution long wavelength neutron applications. STS will allow installation of 22 beamlines and will expand and complement the current national neutron scattering capabilities. In 2015 the STS studies were performed for a compact tungsten target; first a stationary tungsten plate target was analyzed to considerable details and then dropped in favor of a rotating target. For both target options the proton beam footprint as small as acceptable from mechanical and heat removal aspects is required to arrive at a compact-volume neutron production zone in the target, which is essential for tight coupling of target and moderators and for achieving high-intensity peak neutron fluxes. This paper will present recent STS work with the emphasis on neutronics and moderator performance.« less

Performance of a single layer fuel cell based on a mixed proton-electron conducting composite

NASA Astrophysics Data System (ADS)

Zagórski, Krzysztof; Wachowski, Sebastian; Szymczewska, Dagmara; Mielewczyk-Gryń, Aleksandra; Jasiński, Piotr; Gazda, Maria

2017-06-01

Many of the challenges in solid oxide fuel cell technology stem from chemical and mechanical incompatibilities between the anode, cathode and electrolyte materials. Numerous attempts have been made to identify compatible materials. Here, these challenges are circumvented by the introduction of a working single layer fuel cell, fabricated from a composite of proton conducting BaCe0.6Zr0.2Y0.2O3-δ and a mixture of semiconducting oxides - Li2O, NiO, and ZnO. Structural and electrical properties of the composite, related to its fuel cell performance are investigated. The single layer fuel cell shows a maximum OCV of 0.83 V and a peak power density of 3.86 mW cm-2 at 600 °C. Activation and mass transport losses are identified as the major limiting factor for efficiency and power output.

A recoil-proton spectrometer based on a p-i-n diode implementing pulse-shape discrimination.

PubMed

Agosteo, S; D'Angelo, G; Fazzi, A; Foglio Para, A; Pola, A; Ventura, L; Zotto, P

2004-01-01

A recoil-proton spectrometer was created by coupling a p-i-n diode with a polyethylene converter. The maximum detectable energy, imposed by the thickness of the totally depleted layer, is approximately 6 MeV. The minimum detectable energy is limited by the contribution of secondary electrons generated by photons in the detector assembly. This limit is approximately 1.5 MeV at full-depletion voltage and was decreased using pulse-shape discrimination. The diode was set up in the 'reverse-injection' configuration (i.e. with the N+ layer adjacent to the converter). This configuration provides longer collection times for the electron-hole pairs generated by the recoil-protons. The pulse-shape discrimination was based on the zero-crossing time of bipolar signals from a (CR)2-(RC)2 filter. The detector was characterised using monoenergetic neutrons generated in the Van De Graaff CN accelerator at the INFN-Laboratori Nazionali di Legnaro. The energy limit for discrimination proved to be approximately 900 keV.

A novel layered perovskite cathode for proton conducting solid oxide fuel cells

NASA Astrophysics Data System (ADS)

Ding, Hanping; Xue, Xingjian; Liu, Xingqin; Meng, Guangyao

BaZr 0.1Ce 0.7Y 0.2O 3- δ (BZCY7) exhibits adequate proton conductivity as well as sufficient chemical and thermal stability over a wide range of SOFC operating conditions, while layered SmBa 0.5Sr 0.5Co 2O 5+ δ (SBSC) perovskite demonstrates advanced electrochemical properties based on doped ceria electrolyte. This research fully takes advantage of these advanced properties and develops novel protonic ceramic membrane fuel cells (PCMFCs) of Ni-BZCY7|BZCY7|SBSC. The results show that the open-circuit potential of 1.015 V and maximum power density of 533 mW cm -2 are achieved at 700 °C. With temperature increase, the total cell resistance decreases, among which electrolyte resistance becomes increasingly dominant over polarization resistance. The results also indicate that SBSC perovskite cathode is a good candidate for intermediate temperature PCMFC development, while the developed Ni-BZCY7|BZCY7|SBSC cell is a promising functional material system for next generation SOFCs.

The chemo-mechanical coupled model for F(1)F(0)-motor.

PubMed

Xu, Lizhong; Liu, Fang

2012-04-01

F(1)F(0)-motor (ATP synthase) is the universal enzyme in biological energy conversion that is present in the membranes of mitochondria, chloroplasts and bacteria. It uses the energy of the proton gradient across the membrane to synthesize ATP. Previous theory and model about rotation of the ATP synthase is reviewed, then a novel chemo-mechanical coupled model for rotation of the F(1)F(0)-motor is proposed. In the model, more events are considered simultaneously that includes the movement of F(1), the movement of F(0), reactions at F(1) and reactions at F(0). Using the model, the possible substep modes of the rotation for F(1)F(0) are predicted, the dependence of the motor efficiency and its rotation rate on the rigidity of the γ shaft is investigated. We conclude that the γ shaft has a large rotation rate for a limited driving potential because two ends of the γ shaft can rotate alternately for its flexibility. The flexibility also makes the efficiency of F(1)F(0) drop because elastic twisting deformation power is needed during alternate rotation of the γ shaft at two ends. Copyright © 2012 Elsevier Ltd. All rights reserved.

Swiss roll nanomembranes with controlled proton diffusion as redox micro-supercapacitors.

PubMed

Ji, Hengxing; Mei, Yongfeng; Schmidt, Oliver G

2010-06-14

We demonstrate a redox Swiss roll micro-supercapacitor by rolling up a multilayered nanomembrane with an electrochemical active layer at either the outer or inner surface for different proton diffusion behaviors. The Swiss roll micro-supercapacitor could achieve high performance (e.g. capacity and life time) in a microscale power source and is helpful for studying charge transfer at the electrolyte/electrode interface.

Observation of a free-Shercliff-layer instability in cylindrical geometry.

PubMed

Roach, Austin H; Spence, Erik J; Gissinger, Christophe; Edlund, Eric M; Sloboda, Peter; Goodman, Jeremy; Ji, Hantao

2012-04-13

We report on observations of a free-Shercliff-layer instability in a Taylor-Couette experiment using a liquid metal over a wide range of Reynolds numbers, Re∼10(3)-10(6). The free Shercliff layer is formed by imposing a sufficiently strong axial magnetic field across a pair of differentially rotating axial end cap rings. This layer is destabilized by a hydrodynamic Kelvin-Helmholtz-type instability, characterized by velocity fluctuations in the r-θ plane. The instability appears with an Elsasser number above unity, and saturates with an azimuthal mode number m which increases with the Elsasser number. Measurements of the structure agree well with 2D global linear mode analyses and 3D global nonlinear simulations. These observations have implications for a range of rotating MHD systems in which similar shear layers may be produced.

Observations of nonadiabatic acceleration of ions in Earth's magnetotail

NASA Technical Reports Server (NTRS)

Frank, L. A.; Paterson, W. R.; Kivelson, M. G.

1994-01-01

We present observations of the three-dimensional velocity distributions of protons in the energy range 20 eV to 52 keV at locations within and near the current sheet of Earth's magnetotail at geocentric radial distances 35 to 87 R(sub E). These measurements were acquired on December 8, 1990, with a set of electrostatic analyzers on board the Galileo spacecraft during its approach to Earth in order to obtain one of its gravitational assists to Jupiter. It is found that the velocity distributions are inadequately described as quasi-Maxwellian distributions such as those found in the central plasma sheet at positions nearer to Earth. Instead the proton velocity distributions can be categorized into two major types. The first type is the 'lima bean' shaped distribution with high-speed bulk flows and high temperatures that are similar to those found nearer to Earth in the plasma sheet boundary layer. The second type consists of colder protons with considerably lesser bulk flow speeds. Examples of velocity distributions are given for the plasma mantle, a region near the magnetic neutral line, positions earthward and tailward of the neutral line, and the plasma sheet boundary layer. At positions near the neutral line, only complex velocity distributions consisting of the colder protons are found, whereas both of the above types of distributions are found in and near the current sheet at earthward and tailward locations. Bulk flows are directed generally earthward and tailward at positions earthward and tailward of the neutral line, respectively. Only the high-speed, hot distribution is present in the plasma sheet boundary layer. The observations are interpreted in terms of the nonadiabatic acceleration of protons that flow into the current sheet from the plasma mantle. For this interpretation the hot, 'lima bean' shaped distributions are associated with meandering, or Speiser, orbits in the current sheet. It is suggested that the colder, lower-speed proton velocity distributions are the result of fractional or few gyromotions before ejection out of the current sheet, but this speculation must be further investigated with appropriate kinetic simulation of trajectories.

When a Slowly Rotating Aquaplanet is Coupled to a Dynamical Ocean

NASA Astrophysics Data System (ADS)

Salameh, J.; Marotzke, J.

2017-12-01

Planets orbiting in close distance from their stars have a high probability to be detected, and are expected to be slowly rotating due to strong tidal forces. By increasing the rotation period from 1 Earth-day to 365 Earth-days, we previously found that the global-mean surface temperature of an aquaplanet with a static mixed-layer ocean decreases by up to 27 K. The cooling is attributed to an increase of the planetary albedo with the rotation period, which is associated with the different distributions of the sea ice and the deep convective clouds. However, we had there assumed a fixed mixed-layer depth and a zero oceanic heat transport in the aquaplanet configuration. The limitations of these assumptions in such exotic climates are still unclear. We therefore perform coupled atmosphere-ocean aquaplanet simulations with the general circulation model ICON for various rotation periods ranging from 1 Earth-day to 365 Earth-days. We investigate how the underlying oceanic circulation modifies the mean climate of slowly rotating aquaplanets, and whether the day-to-night oceanic heat transport reduces the surface-temperature gradients and the sea-ice extent.

QUAGMIRE v1.3: a quasi-geostrophic model for investigating rotating fluids experiments

NASA Astrophysics Data System (ADS)

Williams, P. D.; Haine, T. W. N.; Read, P. L.; Lewis, S. R.; Yamazaki, Y. H.

2009-04-01

The QUAGMIRE model has recently been made freely available for public use. QUAGMIRE is a quasi-geostrophic numerical model for performing fast, high-resolution simulations of multi-layer rotating annulus laboratory experiments on a desktop personal computer. This presentation describes the model's main features. QUAGMIRE uses a hybrid finite-difference/spectral approach to numerically integrate the coupled nonlinear partial differential equations of motion in cylindrical geometry in each layer. Version 1.3 implements the special case of two fluid layers of equal resting depths. The flow is forced either by a differentially rotating lid, or by relaxation to specified streamfunction or potential vorticity fields, or both. Dissipation is achieved through Ekman layer pumping and suction at the horizontal boundaries, including the internal interface. The effects of weak interfacial tension are included, as well as the linear topographic beta-effect and the quadratic centripetal beta-effect. Stochastic forcing may optionally be activated, to represent approximately the effects of random unresolved features. A leapfrog time stepping scheme is used, with a Robert filter. Flows simulated by the model agree well with those observed in the corresponding laboratory experiments.

Backbendings of superdeformed bands in 36;40Ar

NASA Astrophysics Data System (ADS)

Xiang, Xu-Hui; He, Xiao-Tao

2018-05-01

Experimentally observed superdeformed (SD) rotational bands in 36Ar and 40Ar are studied by the cranked shell model (CSM) with the pairing correlations treated by a particle-number-conserving (PNC) method. This is the first time that PNC-CSM calculations have been performed on the light nuclear mass region around A=40. The experimental kinematic moments of inertia J (1) versus rotational frequency are reproduced well. The backbending of the SD band at frequency around ℏω=1.5 MeV in 36Ar is attributed to the sharp rise of the simultaneous alignments of the neutron and proton 1d 5/2[202]5/2 pairs and 1f 7/2[321]3/2 pairs, which is a consequence of the band crossing between the 1d 5/2[202]5/2 and 1f 7/2[321]3/2 configuration states. The gentle upbending at low frequency of the SD band in 40Ar is mainly affected by the alignments of the neutron 1f 7/2[321]3/2 pairs and proton 1d 5/2[202]5/2 pairs. The PNC-CSM calculations show that besides the diagonal parts, the off-diagonal parts of the alignments play an important role in the rotational behavior of the SD bands. Supported by National Natural Science Foundation of China (11775112 and 11275098) and the Priority Academic Program Development of Jiangsu Higher Education Institutions

Effective rotational correlation times of proteins from NMR relaxation interference

NASA Astrophysics Data System (ADS)

Lee, Donghan; Hilty, Christian; Wider, Gerhard; Wüthrich, Kurt

2006-01-01

Knowledge of the effective rotational correlation times, τc, for the modulation of anisotropic spin-spin interactions in macromolecules subject to Brownian motion in solution is of key interest for the practice of NMR spectroscopy in structural biology. The value of τc enables an estimate of the NMR spin relaxation rates, and indicates possible aggregation of the macromolecular species. This paper reports a novel NMR pulse scheme, [ 15N, 1H]-TRACT, which is based on transverse relaxation-optimized spectroscopy and permits to determine τc for 15N- 1H bonds without interference from dipole-dipole coupling of the amide proton with remote protons. [ 15N, 1H]-TRACT is highly efficient since only a series of one-dimensional NMR spectra need to be recorded. Its use is suggested for a quick estimate of the rotational correlation time, to monitor sample quality and to determine optimal parameters for complex multidimensional NMR experiments. Practical applications are illustrated with the 110 kDa 7,8-dihydroneopterin aldolase from Staphylococcus aureus, the uniformly 15N-labeled Escherichia coli outer membrane protein X (OmpX) in 60 kDa mixed OmpX/DHPC micelles with approximately 90 molecules of unlabeled 1,2-dihexanoyl- sn-glycero-3-phosphocholine (DHPC), and the 16 kDa pheromone-binding protein from Bombyx mori, which cover a wide range of correlation times.

Hundreds MeV monoenergetic proton bunch from interaction of 10{sup 20-21} W/cm{sup 2} circularly polarized laser pulse with tailored complex target

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhang, Z. M.; Laser Fusion Research Center, CAEP, Mianyang 621900; He, X. T.

A complex target (CT) configuration tailored for generating high quality proton bunch by circularly polarized laser pulses at intensities of 10{sup 20-21} W/cm{sup 2} is proposed. Two-dimensional particle-in-cell simulations show that both the collimation and mono-energetic qualities of the accelerated proton bunch obtained using a front-shaped thin foil can be greatly enhanced by the backside inhomogeneous plasma layer. The main mechanisms for improving the accelerated protons are identified and discussed. These include stabilization of the photon cavity, providing hole-boring supplementary acceleration and suppressing the thermal-electron effects. A theory for tailoring the CT parameters is also presented.

Rotation of a 1-GeV particle beam by a fan system of thin crystals

DOE Office of Scientific and Technical Information (OSTI.GOV)

Britvich, G. I.; Maisheev, V. A.; Chesnokov, Yu. A., E-mail: Yury.Chesnokov@ihep.ru

2016-10-15

The deflection of a 1-GeV charged particle beam by a system formed by fan-oriented thin silicon wafers has been studied theoretically and experimentally. Software has been developed for numerical simulation of a particle beam transmission through a fan crystal system. In the U-70 experiment on a proton beam, the particles were deflected by such a system through an angle exceeding 1 mrad. Thus, a new method has been demonstrated for rotating a particle beam, which can be used for creating accelerator beams for medical purposes.

Rotating Vessels for Growing Protein Crystals

NASA Technical Reports Server (NTRS)

Cottingham, Paul

2005-01-01

Rotating vessels have been proposed as means of growing larger, more nearly uniform protein crystals than would otherwise be possible in the presence of normal Earth gravitation. Heretofore, nonrotating vessels have been used. It is difficult to grow high-quality protein crystals in the terrestrial gravitational field because of convection plumes created by the interaction between gravitation and density gradients in protein-solution depletion layers around growing crystals. The density gradients and the associated convection plumes cause the surfaces of growing crystals to be exposed to nonuniform solution densities, thereby causing the crystals to form in irregular shapes. The microgravitational environment of outer space has been utilized to eliminate gravitation-induced convection, but this approach is generally not favorable because of the high cost and limited availability of space flight. The use of a rotating vessel according to the proposal is intended to ameliorate the effects of gravitation and the resultant convection, relative to the corresponding effects in a non-rotating vessel. The rotation would exert an averaging effect over time, distributing the convective force on the depletion layer. Therefore, the depletion layer would be more nearly uniform and, as a result, the growing crystal would be more nearly perfect. The proposal admits of variations (see figure), including the following: The growing crystal could be rotated about its own central axis or an external axis. The crystal-growth vessel could be of any of various shapes, including cylindrical, hemispherical, conical, and combinations thereof. The crystal-growth vessel could be suspended in a viscous fluid in an outer vessel to isolate the growing crystal from both ambient vibrations and vibrations induced by a mechanism that drives the rotation. The rotation could be coupled to the crystal-growth vessel by viscous or magnetic means. The crystal-growth vessel could be supported within the outer vessel by use of a magnetic field. The crystal-growth vessel and the outer vessel could be configured in a variety of ways to facilitate heat transfer, instrumentation, and rotation.

SU-E-T-187: Collimation Methods in Spot Scanning Proton Therapy: A Treatment Plan Comparison Between a Fixed Aperture and a Dynamic Collimation System

DOE Office of Scientific and Technical Information (OSTI.GOV)

Smith, B; Gelover, E; Wang, D

2015-06-15

Purpose: Low-energy treatments during spot scanning proton therapy (SSPT) suffer from poor conformity due to increased spot size. Collimation devices can reduce the lateral penumbra of a proton therapy dose distribution and improve the overall plan quality. The purpose of this work was to study the advantages of individual energy-layer collimation, which is unique to a recently proposed Dynamic Collimation System (DCS), in comparison to a standard, fixed aperture that allows only a single shape for all energy layers. Methods: Three brain patients previously planned and treated with SSPT were re-planned using an in-house treatment planning system capable of modelingmore » collimated and un-collimated proton beamlets. The un-collimated plans, which served as a baseline for comparison, reproduced the target coverage of the clinically delivered plans. The collimator opening for the aperture based plans included a 0.6 cm expansion of the largest cross section of the target in the Beam’s Eye View, while the DCS based plans were created by optimizing the collimator position for beam spots near the periphery of the target in each energy layer. Results: The reduction of mean dose to normal tissue adjacent to the target, as defined by a 10 mm ring, averaged 9.13% and 3.48% for the DCS and aperture plans, respectively. The conformity index, as defined by the ratio of the volume of the 50% isodose line to the target volume, yielded an average improvement of 16.42% and 8.16% for the DCS and aperture plans, respectively. Conclusion: Collimation reduces the dose to normal tissue adjacent to the target and increases dose conformity to the target region for low-energy SSPT. The ability of the DCS to provide collimation to each energy layer yields better conformity in comparison to fixed aperture plans. This work was partially funded by IBA (Ion Beam Applications S.A.)« less

Electronuclear paths in the nuclear conversion of molecular hydrogen in silicon

NASA Astrophysics Data System (ADS)

Ilisca, Ernest; Ghiglieno, Filippo

2017-01-01

The ortho-para conversion of hydrogen molecules oscillating inside tetrahedral cages of silicon compounds relies on the interaction of the nuclear protons with the silicon electrons. At each collision against the cage hard walls, the electron repulsion changes the molecular rotation while projecting a valence electron in the antibonding molecular state dressed by a group of conduction ones. That «bridge» facilitates the hyperfine contact of the electrons with the protons. At room temperature, the angular momentum transfer is enhanced by electron fluctuations that overcome the silicon gap and accelerate the nuclear rates by more than one order of magnitude.

REVIEWS OF TOPICAL PROBLEMS: Superfluidity and the magnetic field of pulsars

NASA Astrophysics Data System (ADS)

Sedrakyan, D. M.; Shakhabasyan, K. M.

1991-07-01

The current state of the theory of superfluidity in pulsars is presented. The superfluidity of hadronic matter in neutron stars is considered. It is shown that strong interaction between the neutron and proton condensates leads to a drag current of superconducting protons and to the generation of a strong time-independent magnetic field (B = 1012 G) parallel to the axis of rotation. The strength of this field depends on the microscopic parameters of the superfluid hadrons. Models explaining the origin of glitches and postglitch relaxation are discussed. The coupling time between the neutron superfluid and the rigid crust of the neutron star is calculated.

Generation of the membrane potential and its impact on the motility, ATP production and growth in Campylobacter jejuni

USDA-ARS?s Scientific Manuscript database

The generation of an electrical membrane potential (''), the major constituent of the proton motive force (pmf) is crucial for the ATP synthesis, bacterial growth and motility. The pmf drives the rotation of flagella and is vital for the microaerophilic human pathogen Campylobacter jejuni to coloniz...

Cyclodextrin-based microcapsules as bioreactors for ATP biosynthesis.

PubMed

Li, Jian-Hu; Wang, Yi-Fu; Ha, Wei; Liu, Yan; Ding, Li-Sheng; Li, Bang-Jing; Zhang, Sheng

2013-09-09

A biomimetic energy converter was fabricated via the assembly of CF0F1-ATPase on lipid-coated hollow nanocapsules composed of α-cyclodextrins/chitosan-graft-poly(ethylene glycol) methacrylate. Upon entrapped GOD into these capsules, the addition of glucose could trigger proton-motive force and then drive the rotation of ATPase to synthesize ATP.

Weak hydrogen bond topology in 1,1-difluoroethane dimer: A rotational study.

PubMed

Chen, Junhua; Zheng, Yang; Wang, Juan; Feng, Gang; Xia, Zhining; Gou, Qian

2017-09-07

The rotational spectrum of the 1,1-difluoroethane dimer has been investigated by pulsed-jet Fourier transform microwave spectroscopy. Two most stable isomers have been detected, which are both stabilized by a network of three C-H⋯F-C weak hydrogen bonds: in the most stable isomer, two difluoromethyl C-H groups and one methyl C-H group act as the weak proton donors whilst in the second isomer, two methyl C-H groups and one difluoromethyl C-H group act as the weak proton donors. For the global minimum, the measurements have also been extended to its four 13 C isotopologues in natural abundance, allowing a precise, although partial, structural determination. Relative intensity measurements on a set of μ a -type transitions allowed estimating the relative population ratio of the two isomers as N I /N II ∼ 6/1 in the pulsed jet, indicating a much larger energy gap between these two isomers than that expected from ab initio calculation, consistent with the result from pseudo-diatomic dissociation energies estimation.

Enhancement of the nonreciprocal magneto-optic effect of TM modes using iron garnet double layers with opposite Faraday rotation

NASA Astrophysics Data System (ADS)

Wallenhorst, M.; Niemöller, M.; Dötsch, H.; Hertel, P.; Gerhardt, R.; Gather, B.

1995-04-01

Garnet films of composition Lu3-xBixFe5-yGayO12 are grown by liquid-phase epitaxy on [111]-oriented substrates of gadolinium gallium garnet. Faraday rotation and saturation magnetization are measured as a function of substitution levels, which range up to x=1.4 and y=1.8, respectively. Nonreciprocal propagation of the TM0 is studied at a wavelength of 1.3 μm. It is shown that the difference between forward and backward propagation constants can be optimized using double layers with opposite sign of the Faraday rotation. Agreement between experiments and calculations is excellent.

One-step method for the production of nanofluids

DOEpatents

Kostic, Milivoje [Chicago, IL; Golubovic, Mihajlo [Chicago, IL; Hull, John R [Downers Grove, IL; Choi, Stephen U. S. [Napersville, IL

2010-05-18

A one step method and system for producing nanofluids by a particle-source evaporation and deposition of the evaporant into a base fluid. The base fluid such (i.e. ethylene glycol) is placed in a rotating cylindrical drum having an adjustable heater-boat-evaporator and heat exchanger-cooler apparatus. As the drum rotates, a thin liquid layer is formed on the inside surface of the drum. A heater-boat-evaporator having an evaporant material (particle-source) placed within its boat evaporator is adjustably positioned near a portion of the rotating thin liquid layer, the evaporant material being heated thereby evaporating a portion of the evaporant material, the evaporated material absorbed by the liquid film to form nanofluid.

Creation of high-pinning microstructures in post production YBCO coated conductors

DOE Office of Scientific and Technical Information (OSTI.GOV)

Welp, Ulrich; Miller, Dean J.; Kwok, Wai-Kwong

A method comprising irradiating a polycrystalline rare earth metal-alkaline earth metal-transition metal-oxide superconductor layer with protons having an energy of 1 to 6 MeV. The irradiating process produces an irradiated layer that comprises randomly dispersed defects with an average diameter in the range of 1-10 nm.

Experimental and theoretical investigation of three-dimensional turbulent boundary layers and turbulence characteristics inside an axial flow inducer passage. Final Report. Ph.D. Thesis, Jun. 1971

NASA Technical Reports Server (NTRS)

Anand, A. K.; Lakshminarayana, B.

1977-01-01

Analytical and experimental investigations of the characteristics of three dimensional turbulent boundary layers in a rotating helical passage of an inducer rotor are reported. Expressions are developed for the velocity profiles in the inner layer, where the viscous effects dominate, in the outer layer, where the viscous effects are small, and in the interference layer, where the end walls influence the flow. The prediction of boundary layer growth is based on the momentum integral technique. The equations derived are general enough to be valid for all turbomachinery rotors with arbitrary pressure gradients. The experimental investigations are carried out in a flat plate inducer 3 feet in diameter. The mean velocity profiles, turbulence intensities and shear stresses, wall shear stress, and limiting streamline angles are measured at various radial and chordwise locations by using rotating probes. The measurements are in general agreement with the predictions. The radial flows are well represented by an expression which includes the effect of stagger angle and radial pressure gradient. The radial flows in the rotor channel are higher than those on a single blade. The collateral region exists only very near the blade surface. The radial component of turbulence intensity is higher than the streamwise component because of the effect of rotation.

Laser-ablation-based ion source characterization and manipulation for laser-driven ion acceleration

NASA Astrophysics Data System (ADS)

Sommer, P.; Metzkes-Ng, J.; Brack, F.-E.; Cowan, T. E.; Kraft, S. D.; Obst, L.; Rehwald, M.; Schlenvoigt, H.-P.; Schramm, U.; Zeil, K.

2018-05-01

For laser-driven ion acceleration from thin foils (∼10 μm–100 nm) in the target normal sheath acceleration regime, the hydro-carbon contaminant layer at the target surface generally serves as the ion source and hence determines the accelerated ion species, i.e. mainly protons, carbon and oxygen ions. The specific characteristics of the source layer—thickness and relevant lateral extent—as well as its manipulation have both been investigated since the first experiments on laser-driven ion acceleration using a variety of techniques from direct source imaging to knife-edge or mesh imaging. In this publication, we present an experimental study in which laser ablation in two fluence regimes (low: F ∼ 0.6 J cm‑2, high: F ∼ 4 J cm‑2) was applied to characterize and manipulate the hydro-carbon source layer. The high-fluence ablation in combination with a timed laser pulse for particle acceleration allowed for an estimation of the relevant source layer thickness for proton acceleration. Moreover, from these data and independently from the low-fluence regime, the lateral extent of the ion source layer became accessible.

Optimisation of multi-layer rotationally moulded foamed structures

NASA Astrophysics Data System (ADS)

Pritchard, A. J.; McCourt, M. P.; Kearns, M. P.; Martin, P. J.; Cunningham, E.

2018-05-01

Multi-layer skin-foam and skin-foam-skin sandwich constructions are of increasing interest in the rotational moulding process for two reasons. Firstly, multi-layer constructions can improve the thermal insulation properties of a part. Secondly, foamed polyethylene sandwiched between solid polyethylene skins can increase the mechanical properties of rotationally moulded structural components, in particular increasing flexural properties and impact strength (IS). The processing of multiple layers of polyethylene and polyethylene foam presents unique challenges such as the control of chemical blowing agent decomposition temperature, and the optimisation of cooling rates to prevent destruction of the foam core; therefore, precise temperature control is paramount to success. Long cooling cycle times are associated with the creation of multi-layer foam parts due to their insulative nature; consequently, often making the costs of production prohibitive. Devices such as Rotocooler®, a rapid internal mould water spray cooling system, have been shown to have the potential to significantly decrease cooling times in rotational moulding. It is essential to monitor and control such devices to minimise the warpage associated with the rapid cooling of a moulding from only one side. The work presented here demonstrates the use of threaded thermocouples to monitor the polymer melt in multi-layer sandwich constructions, in order to analyse the cooling cycle of multi-layer foamed structures. A series of polyethylene skin-foam test mouldings were produced, and the effect of cooling medium on foam characteristics, mechanical properties, and process cycle time were investigated. Cooling cycle time reductions of 45%, 26%, and 29% were found for increasing (1%, 2%, and 3%) chemical blowing agent (CBA) amount when using internal water cooling technology from ˜123°C compared with forced air cooling (FAC). Subsequently, a reduction of IS for the same skin-foam parts was found to be 1%, 4%, and 16% compared with FAC.

Proton Mediated Chemistry and Catalysis in a Self-Assembled Supramolecular Host

DOE Office of Scientific and Technical Information (OSTI.GOV)

Pluth, Michael; Bergman, Robert; Raymond, Kenneth

2009-04-10

Synthetic supramolecular host assemblies can impart unique reactivity to encapsulated guest molecules. Synthetic host molecules have been developed to carry out complex reactions within their cavities, despite the fact that they lack the type of specifically tailored functional groups normally located in the analogous active sites of enzymes. Over the past decade, the Raymond group has developed a series of self-assembled supramolecules and the Bergman group has developed and studied a number of catalytic transformations. In this Account, we detail recent collaborative work between these two groups, focusing on chemical catalysis stemming from the encapsulation of protonated guests and expandingmore » to acid catalysis in basic solution. We initially investigated the ability of a water-soluble, self-assembled supramolecular host molecule to encapsulate protonated guests in its hydrophobic core. Our study of encapsulated protonated amines revealed rich host-guest chemistry. We established that self-exchange (that is, in-out guest movement) rates of protonated amines were dependent on the steric bulk of the amine rather than its basicity. The host molecule has purely rotational tetrahedral (T) symmetry, so guests with geminal N-methyl groups (and their attendant mirror plane) were effectively desymmetrized; this allowed for the observation and quantification of the barriers for nitrogen inversion followed by bond rotation. Furthermore, small nitrogen heterocycles, such as N-alkylaziridines, N-alkylazetidines, and N-alkylpyrrolidines, were found to be encapsulated as proton-bound homodimers or homotrimers. We further investigated the thermodynamic stabilization of protonated amines, showing that encapsulation makes the amines more basic in the cavity. Encapsulation raises the effective basicity of protonated amines by up to 4.5 pK{sub a} units, a difference almost as large as that between the moderate and strong bases carbonate and hydroxide. The thermodynamic stabilization of protonated guests was translated into chemical catalysis by taking advantage of the potential for accelerating reactions that take place via positively charged transition states, which could be potentially stabilized by encapsulation. Orthoformates, generally stable in neutral or basic solution, were found to be suitable substrates for catalytic hydrolysis by the assembly. Orthoformates small enough to undergo encapsulation were readily hydrolyzed by the assembly in basic solution, with rate acceleration factors up to 3900 compared with those of the corresponding uncatalyzed reactions. Furthering the analogy to enzymes that obey Michaelis-Menten kinetics, we observed competitive inhibition with the inhibitor NPr{sub 4}{sup +}, thereby confirming that the interior cavity of the assembly was the active site for catalysis. Mechanistic studies revealed that the assembly is required for catalysis and that the rate-limiting step of the reaction involves proton transfer from hydronium to the encapsulated substrate. Encapsulation in the assembly changes the orthoformate hydrolysis from an A-1 mechanism (in which decomposition of the protonated substrate is the rate-limiting step) to an A-S{sub E}2 mechanism (in which proton transfer is the rate-limiting step). The study of hydrolysis in the assembly was next extended to acetals, which were also catalytically hydrolyzed by the assembly in basic solution. Acetal hydrolysis changed from the A-1 mechanism in solution to an A-2 mechanism inside the assembly, where attack of water on the protonated substrate is rate limiting. This work provides rare examples of assembly-catalyzed reactions that proceed with substantial rate accelerations despite the absence of functional groups in the cavity and with mechanisms fully elucidated by quantitative kinetic studies.« less

Characterization of bulk traps and interface states in AlGaN/GaN heterostructure under proton irradiation

NASA Astrophysics Data System (ADS)

Zheng, Xue-Feng; Dong, Shuai-Shuai; Ji, Peng; Wang, Chong; He, Yun-Long; Lv, Ling; Ma, Xiao-Hua; Hao, Yue

2018-06-01

This paper provides a systematic study on the bulk traps and interface states in a typical AlGaN/GaN Schottky structure under proton irradiation. After 3 MeV proton irradiation with a dose of 5 × 1014 H+/cm2, a positive flat band voltage shift of 0.3 V is observed according to the capacitance-voltage (C-V) measurements. Based on this, the distribution of electrons across AlGaN and GaN layers is extracted. Associated with the numerical calculation, direct experimental evidences demonstrate that the bulk traps within the AlGaN layer dominate the carrier removal effect under proton irradiation. Furthermore, the effects of proton irradiation on AlGaN/GaN interface states were investigated by utilizing the frequency dependent conductance technique. The time constants are extracted, which increase from 1.10-2.53 μs to 3.46-37 μs after irradiation. Meanwhile, it shows that the density of interface states increases from 9.45 × 1011-1.70 × 1013 cm-2.eV-1 to 1.8 × 1012-1.8 × 1013 cm-2.eV-1 with an increase in trap activation energy from 0.34 eV-0.32 eV to 0.41 eV-0.35 eV after irradiation. The Coulomb scattering effect of electron trapping at interface states with deeper energy levels is utilized to explain the mobility degradation in this paper.

Dynamics of molecular rotors confined in two dimensions: transition from a 2D rotational glass to a 2D rotational fluid in a periodic mesoporous organosilica.

PubMed

Vogelsberg, Cortnie S; Bracco, Silvia; Beretta, Mario; Comotti, Angiolina; Sozzani, Piero; Garcia-Garibay, Miguel A

2012-02-09

The motional behavior of p-phenylene-d(4) rotators confined within the 2D layers of a hierarchically ordered periodic mesoporous p-divinylbenzenesilica has been elucidated to evaluate the effects of reduced dimensionality on the engineered dynamics of artificial molecular machines. The hybrid mesoporous material, characterized by a honeycomb lattice structure, has arrays of alternating p-divinylbenzene rotors and siloxane layers forming the molecularly ordered walls of the mesoscopic channels. The p-divinylbenzene rotors are strongly anchored between two adjacent siloxane sheets, so that the p-phenylene rotators are unable to experience translational diffusion and are allowed to rotate about only one fixed axis. Variable-temperature (2)H NMR experiments revealed that the p-phenylene rotators undergo an exchange process between sites related by 180° and a non-Arrhenius temperature dependence of the dynamics, with reorientational rates ranging from 10(3) to 10(8) Hz between 215 to 305 K. The regime of motion changes rapidly at about 280 K indicating the occurrence of a dynamical transition. The transition was also recognized by a steep change in the heat capacity at constant pressure. As a result of the robust lamellar architecture comprising the pore walls, the orientational dynamic disorder related to the phase transition is only realized in two dimensions within the layers, that is in the plane perpendicular to the channel axis. Thus, the aligned rotors that form the organic layers exhibit unique anisotropic dynamical properties as a result of the architecture's reduced dimensionality. The dynamical disorder restricted to two dimensions constitutes a highly mobile fluidlike rotational phase at room temperature, which upon cooling undergoes a transition to a more rigid glasslike phase. Activation energies of 5.9 and 9.5 kcal/mol respectively have been measured for the two dynamical regimes of rotation. Collectively, our investigation has led to the discovery of an orientationally disordered 2D rotational glass and its transition from rigid to soft at increasing temperature. The spectral narrowing observed in the (2)H NMR experiments at higher temperatures (310-420 K) is consistent with fast rotational dynamics, which remain anisotropic in nature within the robust lamellar architecture. This study suggests that exploiting reduced dimensionality in the design of solid-state artificial molecular machines and functional materials may yield access to behavior previously unrealized in 3D materials. © 2012 American Chemical Society

Electrolysis-induced protonation of VO2 thin film transistor for the metal-insulator phase modulation

NASA Astrophysics Data System (ADS)

Katase, Takayoshi; Endo, Kenji; Ohta, Hiromichi

2016-02-01

Compared to state-of-the-art modulation techniques, protonation is the most ideal to control the electrical and optical properties of transition metal oxides (TMOs) due to its intrinsic non-volatile operation. However, the protonation of TMOs is not typically utilized for solid-state devices because of imperative high-temperature annealing treatment in hydrogen source. Although one solution for room temperature (RT) protonation of TMOs is liquid-phase electrochemistry, it is unsuited for practical purposes due to liquid-leakage problem. Herein we demonstrate solid-state RT-protonation of vanadium dioxide (VO2), which is a well-known thermochromic TMO. We fabricated the three terminal thin-film-transistor structure on an insulating VO2 film using a water-infiltrated nanoporous glass, which serves as a solid electrolyte. For gate voltage application, water electrolysis and protonation/deprotonation of VO2 film surface occurred, leading to reversible metal-insulator phase conversion of ~11-nm-thick VO2 layer. The protonation was clearly accompanied by the structural change from an insulating monoclinic to a metallic tetragonal phase. Present results offer a new route for the development of electro-optically active solid-state devices with TMO materials by engineering RT protonation.

CMOS Active Pixel Sensors as energy-range detectors for proton Computed Tomography.

PubMed

Esposito, M; Anaxagoras, T; Evans, P M; Green, S; Manolopoulos, S; Nieto-Camero, J; Parker, D J; Poludniowski, G; Price, T; Waltham, C; Allinson, N M

2015-06-03

Since the first proof of concept in the early 70s, a number of technologies has been proposed to perform proton CT (pCT), as a means of mapping tissue stopping power for accurate treatment planning in proton therapy. Previous prototypes of energy-range detectors for pCT have been mainly based on the use of scintillator-based calorimeters, to measure proton residual energy after passing through the patient. However, such an approach is limited by the need for only a single proton passing through the energy-range detector in a read-out cycle. A novel approach to this problem could be the use of pixelated detectors, where the independent read-out of each pixel allows to measure simultaneously the residual energy of a number of protons in the same read-out cycle, facilitating a faster and more efficient pCT scan. This paper investigates the suitability of CMOS Active Pixel Sensors (APSs) to track individual protons as they go through a number of CMOS layers, forming an energy-range telescope. Measurements performed at the iThemba Laboratories will be presented and analysed in terms of correlation, to confirm capability of proton tracking for CMOS APSs.

A transparent electrochromic metal-insulator switching device with three-terminal transistor geometry

NASA Astrophysics Data System (ADS)

Katase, Takayoshi; Onozato, Takaki; Hirono, Misako; Mizuno, Taku; Ohta, Hiromichi

2016-05-01

Proton and hydroxyl ion play an essential role for tuning functionality of oxides because their electronic state can be controlled by modifying oxygen off-stoichiometry and/or protonation. Tungsten trioxide (WO3), a well-known electrochromic (EC) material for smart window, is a wide bandgap insulator, whereas it becomes a metallic conductor HxWO3 by protonation. Although one can utilize electrochromism together with metal-insulator (MI) switching for one device, such EC-MI switching cannot be utilized in current EC devices because of their two-terminal structure with parallel-plate configuration. Here we demonstrate a transparent EC-MI switchable device with three-terminal TFT-type structure using amorphous (a-) WO3 channel layer, which was fabricated on glass substrate at room temperature. We used water-infiltrated nano-porous glass, CAN (calcium aluminate with nano-pores), as a liquid-leakage-free solid gate insulator. At virgin state, the device was fully transparent in the visible-light region. For positive gate voltage, the active channel became dark blue, and electrical resistivity of the a-WO3 layer drastically decreased with protonation. For negative gate voltage, deprotonation occurred and the active channel returned to transparent insulator. Good cycleability of the present transparent EC-MI switching device would have potential for the development of advanced smart windows.

Probing non polar interstellar molecules through their protonated form: Detection of protonated cyanogen (NCCNH+)★

PubMed Central

Agúndez, M.; Cernicharo, J.; de Vicente, P.; Marcelino, N.; Roueff, E.; Fuente, A.; Gerin, M.; Guélin, M.; Albo, C.; Barcia, A.; Barbas, L.; Bolaño, R.; Colomer, F.; Diez, M. C.; Gallego, J. D.; Gómez-González, J.; López-Fernández, I.; López-Fernández, J. A.; López-Pérez, J. A.; Malo, I.; Serna, J. M.; Tercero, F.

2015-01-01

Cyanogen (NCCN) is the simplest member of the series of dicyanopolyynes. It has been hypothesized that this family of molecules can be important constituents of interstellar and circumstellar media, although the lack of a permanent electric dipole moment prevents its detection through radioastronomical techniques. Here we present the first solid evidence of the presence of cyanogen in interstellar clouds through the detection of its protonated form toward the cold dark clouds TMC-1 and L483. Protonated cyanogen (NCCNH+) has been identified through the J = 5 – 4 and J = 10 – 9 rotational transitions using the 40m radiotelescope of Yebes and the IRAM 30m telescope. We derive beam averaged column densities for NCCNH+ of (8.6 ± 4.4) × 1010 cm−2 in TMC-1 and (3.9 ± 1.8) × 1010 cm−2 in L483, which translate to fairly low fractional abundances relative to H2, in the range (1-10) × 10−12. The chemistry of protonated molecules in dark clouds is discussed, and it is found that, in general terms, the abundance ratio between the protonated and non protonated forms of a molecule increases with increasing proton affinity. Our chemical model predicts an abundance ratio NCCNH+/NCCN of ~ 10−4, which implies that the abundance of cyanogen in dark clouds could be as high as (1-10) × 10−8 relative to H2, i.e., comparable to that of other abundant nitriles such as HCN, HNC, and HC3N. PMID:26543239

Design and performance of the spin asymmetries of the nucleon experiment

NASA Astrophysics Data System (ADS)

Maxwell, J. D.; Armstrong, W. R.; Choi, S.; Jones, M. K.; Kang, H.; Liyanage, A.; Meziani, Z.-E.; Mulholland, J.; Ndukum, L.; Rondón, O. A.; Ahmidouch, A.; Albayrak, I.; Asaturyan, A.; Ates, O.; Baghdasaryan, H.; Boeglin, W.; Bosted, P.; Brash, E.; Brock, J.; Butuceanu, C.; Bychkov, M.; Carlin, C.; Carter, P.; Chen, C.; Chen, J.-P.; Christy, M. E.; Covrig, S.; Crabb, D.; Danagoulian, S.; Daniel, A.; Davidenko, A. M.; Davis, B.; Day, D.; Deconinck, W.; Deur, A.; Dunne, J.; Dutta, D.; El Fassi, L.; Elaasar, M.; Ellis, C.; Ent, R.; Flay, D.; Frlez, E.; Gaskell, D.; Geagla, O.; German, J.; Gilman, R.; Gogami, T.; Gomez, J.; Goncharenko, Y. M.; Hashimoto, O.; Higinbotham, D. W.; Horn, T.; Huber, G. M.; Jones, M.; Kalantarians, N.; Kang, H. K.; Kawama, D.; Keith, C.; Keppel, C.; Khandaker, M.; Kim, Y.; King, P. M.; Kohl, M.; Kovacs, K.; Kubarovsky, V.; Li, Y.; Liyanage, N.; Luo, W.; Mamyan, V.; Markowitz, P.; Maruta, T.; Meekins, D.; Melnik, Y. M.; Mkrtchyan, A.; Mkrtchyan, H.; Mochalov, V. V.; Monaghan, P.; Narayan, A.; Nakamura, S. N.; Nuruzzaman; Pentchev, L.; Pocanic, D.; Posik, M.; Puckett, A.; Qiu, X.; Reinhold, J.; Riordan, S.; Roche, J.; Sawatzky, B.; Shabestari, M.; Slifer, K.; Smith, G.; Soloviev, L.; Solvignon, P.; Tadevosyan, V.; Tang, L.; Vasiliev, A. N.; Veilleux, M.; Walton, T.; Wesselmann, F.; Wood, S. A.; Yao, H.; Ye, Z.; Zhu, L.

2018-03-01

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Accelerator Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2 . 5

On the Lowest Ro-Vibrational States of Protonated Methane: Experiment and Analytical Model

NASA Astrophysics Data System (ADS)

Schmiedt, Hanno; Jensen, Per; Asvany, Oskar; Schlemmer, Stephan

2016-06-01

Protonated methane, CH_5^+, is the prototype of an extremely floppy molecule. To the best of our knowledge all barriers are surmountable in the rovibrational ground state; the large amount of zero-point vibrational energy leads to large amplitude motions for many degrees of freedom. Low resolution but broad band vibrational spectroscopy [1] revealed an extremely wide range of C-H stretching vibrations. Comparison with theoretical IR spectra supported the structural motif of a CH_3 tripod and an H_2 moiety, bound to the central carbon atom by a 3c2e bond. In a more dynamic picture the five protons surround the central carbon atom without significant restrictions on the H-C-H bending or H_n-C torsional motions. The large-amplitude internal motions preclude a simple theoretical description of the type possible for more conventional molecules, such as the related spherical-top methane molecule. Recent high-resolution ro-vibrational spectra obtained in cold ion trap experiments [2] show that the observed CH_5^+ transitions belong to a very well-defined energy level scheme describing the lowest rotational and vibrational states of this enigmatic molecule. Here we analyse the experimental ground state combination differences and associate them with the motional states of CH_5^+ allowed by Fermi-Dirac statistics. A model Hamiltonian for unrestricted internal rotations in CH_5^+ yields a simple analytical expression for the energy eigenvalues, expressed in terms of new quantum numbers describing the free internal rotation. These results are compared to the experimental combination differences and the validity of the model will be discussed together with the underlying assumptions. [1] O. Asvany, P. Kumar, I. Hegemann, B. Redlich, S. Schlemmer and D. Marx, Science 309, (2005) 1219-1222 [2] O. Asvany, K.M.T. Yamada, S. Brünken, A. Potapov, S. Schlemmer, Science 347 (2015) 1346-1349

Internal Structure of Charged Particles in a GRT Gravitational Model

NASA Astrophysics Data System (ADS)

Khlestkov, Yu. A.; Sukhanova, L. A.

2018-05-01

With the help of an exact solution of the Einstein and Maxwell equations, the internal structure of a multiply connected space of wormhole type with two unclosed static throats leading out of it into two parallel vacuum spaces or into one space is investigated in GRT for a free electric field and dust-like matter. The given geometry is considered as a particle-antiparticle pair with fundamental constants arising in the form of first integrals in the solution of the Cauchy problem - electric charges ±e of opposite sign in the throats and rest mass m0 - the total gravitational mass of the inner world of the particle in the throat. With the help of the energy conservation law, the unremovable rotation of the internal structure is included and the projection of the angular momentum of which onto the rotation axis is identified with the z-projection of the spin of the charged particle. The radius of 2-Gaussian curvature of the throat R* is identified with the charge radius of the particle, and the z-projection of the magnetic moment and the g-factor are found. The feasibility of the given gravitational model is confirmed by the found condition of independence of the spin quantum number of the electron and the proton s = 1/2 of the charge radius R* and the relativistic rest mass m* of the rotating throat, which is reliably confirmed experimentally, and also by the coincidence with high accuracy of the proton radius calculated in the model R*p = 0.8412·10-13 cm with the value of the proton charge radius obtained experimentally by measuring the Lamb shift on muonic hydrogen. The electron in the given model also turns out to be a structured particle with radius R*e = 3.8617·10-11 cm.

Bottom boundary layer forced by finite amplitude long and short surface waves motions

NASA Astrophysics Data System (ADS)

Elsafty, H.; Lynett, P.

2018-04-01

A multiple-scale perturbation approach is implemented to solve the Navier-Stokes equations while including bottom boundary layer effects under a single wave and under two interacting waves. In this approach, fluid velocities and the pressure field are decomposed into two components: a potential component and a rotational component. In this study, the two components are exist throughout the entire water column and each is scaled with appropriate length and time scales. A one-way coupling between the two components is implemented. The potential component is assumed to be known analytically or numerically a prior, and the rotational component is forced by the potential component. Through order of magnitude analysis, it is found that the leading-order coupling between the two components occurs through the vertical convective acceleration. It is shown that this coupling plays an important role in the bottom boundary layer behavior. Its effect on the results is discussed for different wave-forcing conditions: purely harmonic forcing and impurely harmonic forcing. The approach is then applied to derive the governing equations for the bottom boundary layer developed under two interacting wave motions. Both motions-the shorter and the longer wave-are decomposed into two components, potential and rotational, as it is done in the single wave. Test cases are presented wherein two different wave forcings are simulated: (1) two periodic oscillatory motions and (2) short waves interacting with a solitary wave. The analysis of the two periodic motions indicates that nonlinear effects in the rotational solution may be significant even though nonlinear effects are negligible in the potential forcing. The local differences in the rotational velocity due to the nonlinear vertical convection coupling term are found to be on the order of 30% of the maximum boundary layer velocity for the cases simulated in this paper. This difference is expected to increase with the increase in wave nonlinearity.

Transient interaction between a reaction control jet and a hypersonic crossflow

NASA Astrophysics Data System (ADS)

Miller, Warrick A.; Medwell, Paul R.; Doolan, Con J.; Kim, Minkwan

2018-04-01

This paper presents a numerical study that focuses on the transient interaction between a reaction control jet and a hypersonic crossflow with a laminar boundary layer. The aim is to better understand the underlying physical mechanisms affecting the resulting surface pressure and control force. Implicit large-eddy simulations were performed with a round, sonic, perfect air jet issuing normal to a Mach 5 crossflow over a flat plate with a laminar boundary layer, at a jet-to-crossflow momentum ratio of 5.3 and a pressure ratio of 251. The pressure distribution induced on the flat plate is unsteady and is influenced by vortex structures that form around the jet. A horseshoe vortex structure forms upstream and consists of six vortices: two quasi-steady vortices and two co-rotating vortex pairs that periodically coalesce. Shear-layer vortices shed periodically and cause localised high pressure regions that convect downstream with constant velocity. A longitudinal counter-rotating vortex pair is present downstream of the jet and is formed from a series of trailing vortices which rotate about a common axis. Shear-layer vortex shedding causes periodic deformation of barrel and bow shocks. This changes the location of boundary layer separation which also affects the normal force on the plate.

Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography.

PubMed

Wan, Qun; Parks, Jerry M; Hanson, B Leif; Fisher, Suzanne Zoe; Ostermann, Andreas; Schrader, Tobias E; Graham, David E; Coates, Leighton; Langan, Paul; Kovalevsky, Andrey

2015-10-06

Glycoside hydrolase (GH) enzymes apply acid/base chemistry to catalyze the decomposition of complex carbohydrates. These ubiquitous enzymes accept protons from solvent and donate them to substrates at close to neutral pH by modulating the pKa values of key side chains during catalysis. However, it is not known how the catalytic acid residue acquires a proton and transfers it efficiently to the substrate. To better understand GH chemistry, we used macromolecular neutron crystallography to directly determine protonation and ionization states of the active site residues of a family 11 GH at multiple pD (pD=pH+0.4) values. The general acid glutamate (Glu) cycles between two conformations, upward and downward, but is protonated only in the downward orientation. We performed continuum electrostatics calculations to estimate the pKa values of the catalytic Glu residues in both the apo- and substrate-bound states of the enzyme. The calculated pKa of the Glu increases substantially when the side chain moves down. The energy barrier required to rotate the catalytic Glu residue back to the upward conformation, where it can protonate the glycosidic oxygen of the substrate, is 4.3 kcal/mol according to free energy simulations. These findings shed light on the initial stage of the glycoside hydrolysis reaction in which molecular motion enables the general acid catalyst to obtain a proton from the bulk solvent and deliver it to the glycosidic oxygen.

Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography

PubMed Central

Wan, Qun; Parks, Jerry M.; Hanson, B. Leif; Fisher, Suzanne Zoe; Ostermann, Andreas; Schrader, Tobias E.; Graham, David E.; Coates, Leighton; Langan, Paul; Kovalevsky, Andrey

2015-01-01

Glycoside hydrolase (GH) enzymes apply acid/base chemistry to catalyze the decomposition of complex carbohydrates. These ubiquitous enzymes accept protons from solvent and donate them to substrates at close to neutral pH by modulating the pKa values of key side chains during catalysis. However, it is not known how the catalytic acid residue acquires a proton and transfers it efficiently to the substrate. To better understand GH chemistry, we used macromolecular neutron crystallography to directly determine protonation and ionization states of the active site residues of a family 11 GH at multiple pD (pD = pH + 0.4) values. The general acid glutamate (Glu) cycles between two conformations, upward and downward, but is protonated only in the downward orientation. We performed continuum electrostatics calculations to estimate the pKa values of the catalytic Glu residues in both the apo- and substrate-bound states of the enzyme. The calculated pKa of the Glu increases substantially when the side chain moves down. The energy barrier required to rotate the catalytic Glu residue back to the upward conformation, where it can protonate the glycosidic oxygen of the substrate, is 4.3 kcal/mol according to free energy simulations. These findings shed light on the initial stage of the glycoside hydrolysis reaction in which molecular motion enables the general acid catalyst to obtain a proton from the bulk solvent and deliver it to the glycosidic oxygen. PMID:26392527

Essential arginine in subunit a and aspartate in subunit c of FoF1 ATP synthase: effect of repositioning within helix 4 of subunit a and helix 2 of subunit c.

PubMed

Langemeyer, Lars; Engelbrecht, Siegfried

2007-07-01

FoF1 ATP synthase couples proton flow through the integral membrane portion Fo (ab2c10) to ATP-synthesis in the extrinsic F1-part ((alphabeta)3gammadeltaepsilon) (Escherichia coli nomenclature and stoichiometry). Coupling occurs by mechanical rotation of subunits c10gammaepsilon relative to (alphabeta)3deltaab2. Two residues were found to be essential for proton flow through ab2c10, namely Arg210 in subunit a (aR210) and Asp61 in subunits c (cD61). Their deletion abolishes proton flow, but "horizontal" repositioning, by anchoring them in adjacent transmembrane helices, restores function. Here, we investigated the effects of "vertical" repositioning aR210, cD61, or both by one helical turn towards the N- or C-termini of their original helices. Other than in the horizontal the vertical displacement changes the positions of the side chains within the depth of the membrane. Mutant aR210A/aN214R appeared to be short-circuited in that it supported proton conduction only through EF1-depleted EFo, but not in EFoEF1, nor ATP-driven proton pumping. Mutant cD61N/cM65D grew on succinate, retained the ability to synthesize ATP and supported passive proton conduction but apparently not ATP hydrolysis-driven proton pumping.

Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography

DOE Office of Scientific and Technical Information (OSTI.GOV)

Wan, Qun; Parks, Jerry M.; Hanson, B. Leif

Glycoside hydrolase (GH) enzymes apply acid/base chemistry to catalyze the decomposition of complex carbohydrates. These ubiquitous enzymes accept protons from solvent and donate them to substrates at close to neutral pH by modulating the pK a values of key side chains during catalysis. However, it is not known how the catalytic acid residue acquires a proton and transfers it efficiently to the substrate. To better understand GH chemistry, we used macromolecular neutron crystallography to directly determine protonation and ionization states of the active site residues of a family 11 GH at multiple pD (pD = pH + 0.4) values. Themore » general acid glutamate (Glu) cycles between two conformations, upward and downward, but is protonated only in the downward orientation. We performed continuum electrostatics calculations to estimate the pK a values of the catalytic Glu residues in both the apo- and substrate-bound states of the enzyme. The calculated pK a of the Glu increases substantially when the side chain moves down. The energy barrier required to rotate the catalytic Glu residue back to the upward conformation, where it can protonate the glycosidic oxygen of the substrate, is 4.3 kcal/mol according to free energy simulations. Lastly, these findings shed light on the initial stage of the glycoside hydrolysis reaction in which molecular motion enables the general acid catalyst to obtain a proton from the bulk solvent and deliver it to the glycosidic oxygen.« less

Direct determination of protonation states and visualization of hydrogen bonding in a glycoside hydrolase with neutron crystallography

DOE PAGES

Wan, Qun; Parks, Jerry M.; Hanson, B. Leif; ...

2015-09-21

Glycoside hydrolase (GH) enzymes apply acid/base chemistry to catalyze the decomposition of complex carbohydrates. These ubiquitous enzymes accept protons from solvent and donate them to substrates at close to neutral pH by modulating the pK a values of key side chains during catalysis. However, it is not known how the catalytic acid residue acquires a proton and transfers it efficiently to the substrate. To better understand GH chemistry, we used macromolecular neutron crystallography to directly determine protonation and ionization states of the active site residues of a family 11 GH at multiple pD (pD = pH + 0.4) values. Themore » general acid glutamate (Glu) cycles between two conformations, upward and downward, but is protonated only in the downward orientation. We performed continuum electrostatics calculations to estimate the pK a values of the catalytic Glu residues in both the apo- and substrate-bound states of the enzyme. The calculated pK a of the Glu increases substantially when the side chain moves down. The energy barrier required to rotate the catalytic Glu residue back to the upward conformation, where it can protonate the glycosidic oxygen of the substrate, is 4.3 kcal/mol according to free energy simulations. Lastly, these findings shed light on the initial stage of the glycoside hydrolysis reaction in which molecular motion enables the general acid catalyst to obtain a proton from the bulk solvent and deliver it to the glycosidic oxygen.« less

Detector Development for the abBA Experiment.

PubMed

Seo, P-N; Bowman, J D; Mitchell, G S; Penttila, S I; Wilburn, W S

2005-01-01

We have developed a new type of field-expansion spectrometer to measure the neutron beta decay correlations (a, b, B, and A). A precision measurement of these correlations places stringent requirements on charged particle detectors. The design employs large area segmented silicon detectors to detect both protons and electrons in coincidence. Other requirements include good energy resolution (< 5 keV), a thin dead layer to allow observation of 30-keV protons, fast timing resolution (~1 ns) to reconstruct electron-backscattering events, and nearly unity efficiency. We report results of testing commercially available surface-barrier silicon detectors for energy resolution and timing performance, and measurement of the dead-layer thickness of ion-implanted silicon detectors with a 3.2 MeV alpha source.

Molecular dynamics in aluminum layered double hydroxides as studied by 1H T1ρ NMR measurements

NASA Astrophysics Data System (ADS)

Vyalikh, Anastasia; Wang, De-Yi; Wagenknecht, Udo; Heinrich, Gert; Scheler, Ulrich

2011-06-01

Proton dynamics in pristine and organically-modified layered double hydroxide has been studied by 1H T1ρ. Inverse Laplace transform with spectral resolution results in a correlation of T1ρ and chemical shift. In LDH two contributions are resolved. They are assigned to the metal hydroxides, forming the LDH sheets (4-8 ms), and mobile interlayer water (2 ms). Apparent T1ρ values of OH-protons in surfactant-modified LDH are different in dodecylbenzenesulfonate- (SDBS) and sodium octasulfonate- (C8) modified LDH. This difference is explained by the presence of water in LDH-SDBS. The effects of spin diffusion have been studied by performing 2D 1H RFDR in the LDH-SDBS.

Stability Of Oscillatory Rotating-Disk Boundary Layers

NASA Astrophysics Data System (ADS)

Morgan, Scott; Davies, Christopher

2017-11-01

The rotating disk boundary layer has long been considered as an archetypal model for studying the stability of three-dimensional boundary-layer flows. It is one of the few truly three-dimensional configurations for which there is an exact similarity solution of the Navier-Stokes equations. Due to a crossflow inflexion point instability, the investigation of strategies for controlling the behaviour of disturbances that develop in the rotating disk flow may prove to be helpful for the identification and assessment of aerodynamical technologies that have the potential to maintain laminar flow over swept wings. We will consider the changes in the stability behaviour which arise when the base-flow is altered by imposing a periodic modulation in the rotation rate of the disk surface. Following similar work by Thomas et al., preliminary results indicate that this modification can lead to significant stabilising effects. Current work encompasses linearised DNS, complemented by a local in time analysis made possible by imposing an artificial frozen flow approximation. This is deployed together with a more exact global treatment based upon Floquet theory, which avoids the need for any simplification of the temporal dependency of the base-flow.

SU-E-P-45: An Analytical Formula for Deriving Mechanical Iso-Center of Rotational Gantry Treatment Unit Rotational Gantry Treatment Unit

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ding, X; Bues, M

2015-06-15

Purpose: To present an analytical formula for deriving mechanical isocenter (MIC) of a rotational gantry treatment unit. The input data to the formula is obtained by a custom-made device. The formula has been implemented and used in an operational proton therapy facility since 2005. Methods: The custom made device consisted of 3 mutually perpendicular dial indicators and 5 clinometers, to obtain displacement data and gantry angle data simultaneously. During measurement, a steel sphere was affixed to the patient couch, and the device was attached to the snout rotating with the gantry. The displacement data and angle data were obtained simultaneouslymore » at angular increments of less than 1 degree. The analytical formula took the displacement and angle as input and derived the positions of dial indicator tips (DIT) position in room-fixed coordinate system. The formula derivation presupposes trigonometry and 3-dimentional coordinate transformations. Due to the symmetry properties of the defining equations, the DIT position can be solved for analytically without using mathematical approximations. We define the mean of all points in the DIT trajectory as the MIC. The formula was implemented in computer code, which has been employed during acceptance test, commissioning, as well as routine QA practice in an operational proton facility since 2005. Results: It took one minute for the custom-made device to acquire the measurement data for a full gantry rotation. The DIT trajectory and MIS are instantaneously available after the measurement. The MIC Result agrees well with vendor’s Result, which came from a different measurement setup, as well as different data analysis algorithm. Conclusion: An analytical formula for deriving mechanical isocenter was developed and validated. The formula is considered to be absolutely accurate mathematically. Be analyzing measured data of radial displacements as function of gantry angle, the formula calculates the MI position in room coordinate.« less

Computational and Experimental Study of the Transient Transport Phenomena in a Full-Scale Twin-Roll Continuous Casting Machine

NASA Astrophysics Data System (ADS)

Xu, Mianguang; Li, Zhongyang; Wang, Zhaohui; Zhu, Miaoyong

2017-02-01

To gain a fundamental understanding of the transient fluid flow in twin-roll continuous casting, the current paper applies both large eddy simulation (LES) and full-scale water modeling experiments to investigate the characteristics of the top free surface, stirring effect of the roll rotation, boundary layer fluctuations, and backflow stability. The results show that, the characteristics of the top free surface and the flow field in the wedge-shaped pool region are quite different with/without the consideration of the roll rotation. The roll rotation decreases the instantaneous fluctuation range of the top free surface, but increases its horizontal velocity. The stirring effect of the roll rotating makes the flow field more homogenous and there exists clear shear flow on the rotating roll surface. The vortex shedding induced by the Kármán Vortex Street from the submerged entry nozzle (SEN) causes the "velocity magnitude wave" and strongly influences the boundary layer stability and the backflow stability. The boundary layer fluctuations or the "velocity magnitude wave" induced by the vortex shedding could give rise to the internal porosity. In strip continuous casting process, the vortex shedding phenomenon indicates that the laminar flow can give rise to instability and that it should be made important in the design of the feeding system and the setting of the operating parameters.

Density Functional Theory Investigation of Proton Diffusion in Tungsten Oxide And Its Hydrates

NASA Astrophysics Data System (ADS)

Lin, Hao

Fast proton conduction mechanism is of key importance for achieving high performance in fuel cell membranes, batteries, supercapacitors, and electrochromic materials. Enhanced proton diffusion is often observed in hydrated materials where it is thought to occur via the famous Grotthuss mechanism through pathways formed by structural water. Using first-principles calculations, we demonstrate that proton diffusion in tungsten oxide dihydrate (WO3·2H 2O), a known good proton conductor, takes place within the layers of corner-sharing WO6 octahedra without direct involvement of structural water. The calculated proton migration barrier in WO3·2H 2O is in good agreement with the experimental value inferred from the temperature dependence of conductivity. The preferred proton diffusion path in WO3·2H2O is essentially the same as in gamma-WO 3. In contrast to the small intercalation voltages calculated for WO 3 and WO3·2H2O, we find that proton absorption in the monohydrate WO3·H2O is energetically highly favorable. However, strong proton-proton repulsion limits the equilibrium H content at zero voltage. We find a fast one-dimensional diffusion channel in WO3·H2O at dilute proton concentrations, but much higher barriers are expected at near-equilibrium concentrations due to strong repulsive interactions with other protons. Our results illustrate that low proton diffusion barriers and low insertion voltages both contribute to fast proton transport in bulk WO3·2H2O and gamma-WO 3.

Studies on Molecular and Ion Transport in Silicalite Membranes and Applications as Ion Separator for Redox Flow Battery

NASA Astrophysics Data System (ADS)

Yang, Ruidong

Microporous zeolite membranes have been widely studied for molecular separations based on size exclusion or preferential adsorption-diffusion mechanisms. The MFI-type zeolite membranes were also demonstrated for brine water desalination by molecular sieving effect. In this research, the pure silica MFI-type zeolite (i.e. silicalite) membrane has been for the first time demonstrated for selective permeation of hydrated proton (i.e. H3O+) in acidic electrolyte solutions. The silicalite membrane allows for permeation of H 3O+ ions, but is inaccessible to the large hydrated multivalent vanadium ions due to steric effect. The silicalite membrane has been further demonstrated as an effective ion separator in the all-vanadium redox flow battery (RFB).The silicalite is nonionic and its proton conductivity relies on the electric field-driven H3O+ transport through the sub nanometer-sized pores under the RFB operation conditions. The silicalite membrane displayed a significantly reduced self-discharge rate because of its high proton-to-vanadium ion transport selectivity. However, the nonionic nature of the silicalite membrane and very small diffusion channel size render low proton conductivity and is therefore inefficient as ion exchange membranes (IEMs) for practical applications. The proton transport efficiency may be improved by reducing the membrane thickness. However, the zeolite thin films are extremely fragile and must be supported on mechanically strong and rigid porous substrates. In this work, silicalite-Nafion composite membranes were synthesized to achieve a colloidal silicalite skin on the Nafion thin film base. The "colloidal zeolite-ionic polymer" layered composite membrane combines the advantages of high proton-selectivity of the zeolite layer and the mechanical flexibility and low proton transport resistance of the ionic polymer membrane. The composite membrane exhibited higher proton/vanadium ion separation selectivity and lower electrical resistance than the commercial Nafion 117 membrane. The high proton transport selectivity is a result of the molecular sieving effect between the H3O+ and multivalent vanadium ions by the zeolitic pores; thus the zeolite particles significantly reduced the effective membrane surface area for vanadium ion permeation. The low resistance of the composite membrane can be attributed to the reduced thickness of the Nafion base film and the thinness of the colloidal silicalite top layer. The composite membrane outperformed the Nafion 117 membrane in the vanadium RFB operation in terms of the overall charge-discharge energy efficiency. Efforts have been made in further investigation of ion and molecular transport diffusivity in the polycrystalline silicalite film using zeolite-coated optical fiber interferometers. A physical model has been established for analyzing the molecular diffusivity in the zeolite layer based on the temporal responses of the optical interferometric signals during the transient process of molecular sorption. Experiments were first carried out to study the diffusivity of isobutane to evaluate the effectiveness of the proposed optical method. The isobutane diffusivities in silicalite measured by this method were in good agreement with the values reported in literature. The zeolite coated fiber optic interferometer was however ineffective in monitoring ion sorption or ion exchange in the silicalite films. It is suggested that more sensitive fiber optic devices are needed for studying the ion diffusion.

Homogeneous wave turbulence driven by tidal flows

NASA Astrophysics Data System (ADS)

Favier, B.; Le Reun, T.; Barker, A.; Le Bars, M.

2017-12-01

When a moon orbits around a planet, the rotation of the induced tidal bulge drives a homogeneous, periodic, large-scale flow. The combination of such an excitation with the rotating motion of the planet has been shown to drive parametric resonance of a pair of inertial waves in a mechanism called the elliptical instability. Geophysical fluid layers can also be stratified: this is the case for instance of the Earth's oceans and, as suggested by several studies, of the upper part of the Earth's liquid Outer Core. We thus investigate the stability of a rotating and stratified layer undergoing tidal distortion in the limit where either rotation or stratification is dominant. We show that the periodic tidal flow drives a parametric subharmonic resonance of inertial (resp. internal) waves in the rotating (resp. stratified) case. The instability saturates into a wave turbulence pervading the whole fluid layer. In such a state, the instability mechanism conveys the tidal energy from the large scale tidal flow to the resonant modes, which then feed a succession of triadic resonances also generating small spatial scales. In the rotating case, we observe a kinetic energy spectrum with a k-2 slope for which the Coriolis force is dominant at all spatial scales. In the stratified case, where the timescale separation is increased between the tidal excitation and the Brunt-Väisälä frequencies, the temporal spectrum decays with a ω-2 power law up to the cut-off frequency beyond which waves do not exist. This result is reminiscent of the Garrett and Munk spectrum measured in the oceans and theoretically described as a manifestation of internal wave turbulence. In addition to revealing an instability driving homogeneous turbulence in geophysical fluid layers, our approach is also an efficient numerical tool to investigate the possibly universal properties of wave turbulence in a geophysical context.

Heterogeneous Coordination Environments in Lithium-Neutralized Ionomers Identified Using 1H and 7Li MAS NMR

PubMed Central

Alam, Todd M.; Jenkins, Janelle E.; Bolintineanu, Dan S.; Stevens, Mark J.; Frischknecht, Amalie L.; Buitrago, C. Francisco; Winey, Karen I.; Opper, Kathleen L.; Wagener, Kenneth B.

2012-01-01

The carboxylic acid proton and the lithium coordination environments for precise and random Li-neutralized polyethylene acrylic acid P(E-AA) ionomers were explored using high speed solid-state 1H and 7Li MAS NMR. While the 7Li NMR revealed only a single Li coordination environment, the chemical shift temperature variation was dependent on the precise or random nature of the P(E-AA) ionomer. The 1H MAS NMR revealed two different carboxylic acid proton environments in these materials. By utilizing 1H-7Li rotational echo double resonance (REDOR) MAS NMR experiments, it was demonstrated that the proton environments correspond to different average 1H-7Li distances, with the majority of the protonated carboxylic acids having a close through space contact with the Li. Molecular dynamics simulations suggest that the shortest 1H-7Li distance corresponds to un-neutralized carboxylic acids directly involved in the coordination environment of Li clusters. These solid-state NMR results show that heterogeneous structural motifs need to be included when developing descriptions of these ionomer materials.

The G_E/G_M-ratio of the proton by recoil polarization measurement in e+parrow e'+p

NASA Astrophysics Data System (ADS)

Punjabi, Vina; Jones, Mark; Perdrisat, Charles F.; Quemener, Gilles

1998-10-01

The recently commissioned Hall A high resolution spectrometers (HRS) and the focal plane polarimeter (FPP) were used to obtain the ratio of the electric and magnetic form factors of the proton, G_E/G_M. This form factor ratio is proportional to the measured ratio of the transverse, P_t, to longitudinal, P_l, components of the recoiling proton polarization. The method takes advantage of the precession of the proton magnetic moment in the hadron HRS, which rotates the longitudinal polarization component into the plane of the FPP analyzer; this allows simultaneous measurement of both components of the polarization. The ratio P_t/P_l is independent of both the electron beam polarization and the polarimeter analyzing power. Most of the data were obtained with polarized beams of 100 μ A with polarization of ~ 0.39 incident on the 15 cm cell of the high power LH2 target. We will report the results for G_E/GM at several values of Q^2 between 0.5 and 3.5 GeV^2.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Meyer, Jeff, E-mail: jmeye3@utsouthwestern.ed; Bluett, Jaques; Amos, Richard

Purpose: Conventional proton therapy with passively scattered beams is used to treat a number of tumor sites, including prostate cancer. Spot scanning proton therapy is a treatment delivery means that improves conformal coverage of the clinical target volume (CTV). Placement of individual spots within a target is dependent on traversed tissue density. Errors in patient alignment perturb dose distributions. Moreover, there is a need for a rational planning approach that can mitigate the dosimetric effect of random alignment errors. We propose a treatment planning approach and then analyze the consequences of various simulated alignment errors on prostate treatments. Methods andmore » Materials: Ten control patients with localized prostate cancer underwent treatment planning for spot scanning proton therapy. After delineation of the clinical target volume, a scanning target volume (STV) was created to guide dose coverage. Errors in patient alignment in two axes (rotational and yaw) as well as translational errors in the anteroposterior direction were then simulated, and dose to the CTV and normal tissues were reanalyzed. Results: Coverage of the CTV remained high even in the setting of extreme rotational and yaw misalignments. Changes in the rectum and bladder V45 and V70 were similarly minimal, except in the case of translational errors, where, as a result of opposed lateral beam arrangements, much larger dosimetric perturbations were observed. Conclusions: The concept of the STV as applied to spot scanning radiation therapy and as presented in this report leads to robust coverage of the CTV even in the setting of extreme patient misalignments.« less

The temperature dependence of the hydroxyl deuterium quadrupole coupling parameter and the rotational correlation time of the OD internuclear vector in neat ethanol-d

NASA Astrophysics Data System (ADS)

Ferris, Thomas D.; Farrar, Thomas C.

The temperature dependence of the hydroxyl proton chemical shift and deuterium quadrupolar relaxation time of neat ethanol were measured over the temperature range 190-350 K. The proton isotropic chemical shift varies from 6.2 ppm at 190 K to 4.7 ppm at 350 K. The deuterium NMR relaxation time in ethanol- d 1 varies from 6.2 ms to 309 ms over the same range. Ab initio calculations performed on various ethanol clusters ranging in size from monomer to hexamer show a linear correlation ( R 2 = 0.99) between ≤D, the deuterium quadrupole coupling parameter, and δH, the isotropic proton chemical shift in ppm relative to TMS: ≤D(kHz) = 297.60 - 15.28 δH. The temperature dependence of ≤D ranges from 199.5 kHz at 190 K to 221.4 kHz at 350 K. Using the values for ≤D and the relaxation time data, the temperature dependence of the OD rotational correlation time was found to vary from 282 ps at 190 K to 4.5 ps near the boiling point (350 K). Using these correlation times and bulk viscosity data, the Gierer-Wirtz model predicts a supramolecular cluster volume of about 317 A 3 , the approximate volume of a cyclic pentamer cluter of ethanol molecules. The cluster volume was nearly constant from 340 K to about 290 K.

Density functional theory analysis of the impact of steric interaction on the function of switchable polarity solvents

DOE PAGES

McNally, Joshua S.; Noll, Bruce; Orme, Christopher J.; ...

2015-05-04

Here, a density functional theory (DFT) analysis has been performed to explore the impact of steric interactions on the function of switchable polarity solvents (SPS) and their implications on a quantitative structure-activity relationship (QSAR) model previously proposed for SPS. An x-ray crystal structure of the N,N-dimethylcyclohexylammonium bicarbonate (Hdmcha) salt has been solved as an asymmetric unit containing two cation/anion pairs, with a hydrogen bonding interaction observed between the bicarbonate anions, as well as between the cation and anion in each pair. DFT calculations provide an optimized structure of Hdmcha that closely resembles experimental data and reproduces the cation/anion interaction withmore » the inclusion of a dielectric field. Relaxed potential energy surface (PES) scans have been performed on Hdmcha-based computational model compounds, differing in the size of functional group bonded to the nitrogen center, to assess the steric impact of the group on the relative energy and structural properties of the compound. Results suggest that both the length and amount of branching associated with the substituent impact the energetic limitations on rotation of the group along the N-R bond and NC-R bond, and disrupt the energy minimized position of the hydrogen bonded bicarbonate group. The largest interaction resulted from functional groups that featured five bonds between the ammonium proton and a proton on a functional group with the freedom of rotation to form a pseudo-six membered ring which included both protons.« less

Three dimensional rotating flow of Powell-Eyring nanofluid with non-Fourier's heat flux and non-Fick's mass flux theory

NASA Astrophysics Data System (ADS)

Ibrahim, Wubshet

2018-03-01

This article numerically examines three dimensional boundary layer flow of a rotating Powell-Eyring nanofluid. In modeling heat transfer processes, non-Fourier heat flux theory and for mass transfer non-Fick's mass flux theory are employed. This theory is recently re-initiated and it becomes the active research area to resolves some drawback associated with the famous Fourier heat flux and mass flux theory. The mathematical model of the flow problem is a system of non-linear partial differential equations which are obtained using the boundary layer analysis. The non-linear partial differential equations have been transformed into non-linear high order ordinary differential equations using similarity transformation. Employing bvp4c algorithm from matlab software routine, the numerical solution of the transformed ordinary differential equations is obtained. The governing equations are constrained by parameters such as rotation parameter λ , the non-Newtonian parameter N, dimensionless thermal relaxation and concentration relaxation parameters δt and δc . The impacts of these parameters have been discussed thoroughly and illustrated using graphs and tables. The findings show that thermal relaxation time δt reduces the thermal and concentration boundary layer thickness. Further, the results reveal that the rotational parameter λ has the effect of decreasing the velocity boundary layer thickness in both x and y directions. Further examination pinpoints that the skin friction coefficient along x-axis is an increasing and skin friction coefficient along y-axis is a decreasing function of rotation parameter λ . Furthermore, the non-Newtonian fluid parameter N has the characteristic of reducing the amount of local Nusselt numbers -f″ (0) and -g″ (0) both in x and y -directions.

1H NMR studies of the 5-(hydroxymethyl)-2'-deoxyuridine containing TF1 binding site.

PubMed

Pasternack, L B; Bramham, J; Mayol, L; Galeone, A; Jia, X; Kearns, D R

1996-07-15

The pyrimidine base 5-(hydroxymethyl)-2'-deoxyuridine (HmU) is a common nucleotide in SPO1 phage DNA. Numerous transcriptional proteins bind HmU-containing DNA preferentially implicating a regulatory function of HmU. We have investigated the conformation and dynamics of d-(5'-CHmUCHmUACACGHmUGHmUAGAG-OH-3')2 (HmU-DNA). This oligonucleotide mimics the consensus sequence of Transcription Factor 1 (TF1). The HmU-DNA was compared to the thymine-containing oligonucleotide. NOESY and DQF COSY spectroscopy provided resonance assignments of nonexchangeable and exchangeable protons, intranucleotide, internucleotide and intrastrand proton-proton distances, and dihedral angle constraints. Methylene protons of the hydroxymethyl group are nonequivalent protons and the hydroxymethyl group is not freely rotating. The hydroxymethyl group adopts a specific orientation with the OH group oriented on the 3' side of the plane of the base. Analysis of imino proton resonances and NOEs indicates additional end base pair fraying and a temperature-induced transition to a conformation in which the internal HmU-A base pairs are disrupted or have reduced lifetimes. Orientation of the hydroxymethyl group indicates the presence of internucleotide intrastrand hydrogen bonding between the HmU12C5 hydroxyl group and A13. All sugars in both DNAs show a C2'endo conformation (typical of B-DNA).

Novel target design for enhanced laser driven proton acceleration

NASA Astrophysics Data System (ADS)

Dalui, Malay; Kundu, M.; Tata, Sheroy; Lad, Amit D.; Jha, J.; Ray, Krishanu; Krishnamurthy, M.

2017-09-01

We demonstrate a simple method of preparing structured target for enhanced laser-driven proton acceleration under target-normal-sheath-acceleration scheme. A few layers of genetically modified, clinically grown micron sized E. Coli bacteria cell coated on a thin metal foil has resulted in an increase in the maximum proton energy by about 1.5 times and the total proton yield is enhanced by approximately 25 times compared to an unstructured reference foil at a laser intensity of 1019 W/cm2. Particle-in-cell simulations on the system shows that the structures on the target-foil facilitates anharmonic resonance, contributing to enhanced hot electron production which leads to stronger accelerating field. The effect is observed to grow as the number of structures is increased in the focal area of the laser pulse.

Numerical Investigation of Vortex Generator Flow Control for External-Compression Supersonic Inlets

NASA Astrophysics Data System (ADS)

Baydar, Ezgihan

Vortex generators (VGs) within external-compression supersonic inlets for Mach 1.6 were investigated to determine their ability to increase total pressure recovery and reduce total pressure distortion. Ramp and vane-type VGs were studied. The geometric factors of interest included height, length, spacing, angle-of-incidence, and positions upstream and downstream of the inlet terminal shock. The flow through the inlet was simulated numerically through the solution of the steady-state, Reynolds-averaged Navier-Stokes equations on multi-block, structured grids using the Wind-US flow solver. The inlet performance was characterized by the inlet total pressure recovery and the radial and circumferential total pressure distortion indices at the engine face. Previous research of downstream VGs in the low-boom supersonic inlet demonstrated improvement in radial distortion up to 24% while my work on external-compression supersonic inlets improved radial distortion up to 86%, which is significant. The design of experiments and statistical analysis methods were applied to quantify the effect of the geometric factors of VGs and search for optimal VG arrays. From the analysis, VG angle-of-incidence and VG height were the most influential factors in increasing total pressure recovery and reducing distortion. The study on the two-dimensional external-compression inlet determined which passive flow control devices, such as counter-rotating vanes or ramps, reduce high distortion levels and improve the health of the boundary layer, relative to the baseline. Downstream vanes demonstrate up to 21% improvement in boundary layer health and 86% improvement in radial distortion. Upstream vanes demonstrated up to 3% improvement in boundary layer health and 9% improvement in radial distortion. Ramps showed no improvement in boundary layer health and radial distortion. Micro-VGs were preferred for their reduced viscous drag and improvement in total pressure recovery at the AIP. Although traditional VGs energize the flow with stronger vortex structures compared to micro-VGs, the AIP is affected with overwhelming amounts of reduced and enhanced flow regions. In summary, vanes are exceptional in reducing radial distortion and improving the health of the boundary layer compared to the ramps. In the study of the STEX inlet, vane-type vortex generators were the preferred devices for boundary layer flow control. In the supersonic diffuser, co-rotating vane arrays and counter-rotating vane arrays did not show improvement. In the subsonic diffuser, co-rotating vane arrays with negative angles-of-incidence and counter-rotating vane arrays were exceptional in reducing radial distortion and improving total pressure recovery. Downstream co-rotating vanes demonstrated up to 41% improvement in radial distortion whereas downstream counter-rotating vanes demonstrated up to 73% improvement. For downstream counter-rotating vanes, a polynomial trend between VG height and radial distortion indicate that increasing VG height improves inlet distortion. In summary, downstream vanes are exceptional in improving total pressure recovery compared to upstream vanes.

Self-organization of grafted polyelectrolyte layers via the coupling of chemical equilibrium and physical interactions.

PubMed

Tagliazucchi, Mario; de la Cruz, Mónica Olvera; Szleifer, Igal

2010-03-23

The competition between chemical equilibrium, for example protonation, and physical interactions determines the molecular organization and functionality of biological and synthetic systems. Charge regulation by displacement of acid-base equilibrium induced by changes in the local environment provides a feedback mechanism that controls the balance between electrostatic, van der Waals, steric interactions and molecular organization. Which strategies do responsive systems follow to globally optimize chemical equilibrium and physical interactions? We address this question by theoretically studying model layers of end-grafted polyacids. These layers spontaneously form self-assembled aggregates, presenting domains of controlled local pH and whose morphologies can be manipulated by the composition of the solution in contact with the film. Charge regulation stabilizes micellar domains over a wide range of pH by reducing the local charge in the aggregate at the cost of chemical free energy and gaining in hydrophobic interactions. This balance determines the boundaries between different aggregate morphologies. We show that a qualitatively new form of organization arises from the coupling between physical interactions and protonation equilibrium. This optimization strategy presents itself with polyelectrolytes coexisting in two different and well-defined protonation states. Our results underline the need of considering the coupling between chemical equilibrium and physical interactions due to their highly nonadditive behavior. The predictions provide guidelines for the creation of responsive polymer layers presenting self-organized patterns with functional properties and they give insights for the understanding of competing interactions in highly inhomogeneous and constrained environments such as those relevant in nanotechnology and those responsible for biological cells function.

Transverse mode control in proton-implanted and oxide-confined VCSELs via patterned dielectric anti-phase filters

NASA Astrophysics Data System (ADS)

Kesler, Benjamin; O'Brien, Thomas; Dallesasse, John M.

2017-02-01

A novel method for controlling the transverse lasing modes in both proton implanted and oxide-confined vertical- cavity surface-emitting lasers (VCSELs) with a multi-layer, patterned, dielectric anti-phase (DAP) filter is pre- sented. Using a simple photolithographic liftoff process, dielectric layers are deposited and patterned on individual VCSELs to modify (increase or decrease) the mirror reflectivity across the emission aperture via anti-phase reflections, creating spatially-dependent threshold material gain. The shape of the dielectric pattern can be tailored to overlap with specific transverse VCSEL modes or subsets of transverse modes to either facilitate or inhibit lasing by decreasing or increasing, respectively, the threshold modal gain. A silicon dioxide (SiO2) and titanium dioxide (TiO2) anti-phase filter is used to achieve a single-fundamental-mode, continuous-wave output power greater than 4.0 mW in an oxide-confined VCSEL at a lasing wavelength of 850 nm. A filter consisting of SiO2 and TiO2 is used to facilitate injection-current-insensitive fundamental mode and lower order mode lasing in proton implanted VCSELs at a lasing wavelength of 850 nm. Higher refractive index dielectric materials such as amorphous silicon (a-Si) can be used to increase the effectiveness of the anti-phase filter on proton implanted devices by reducing the threshold modal gain of any spatially overlapping modes. This additive, non-destructive method allows for mode selection at any lasing wavelength and for any VCSEL layer structure without the need for semiconductor etching or epitaxial regrowth. It also offers the capability of designing a filter based upon available optical coating materials.

Plasma and wave properties downstream of Martian bow shock: Hybrid simulations and MAVEN observations

NASA Astrophysics Data System (ADS)

Dong, Chuanfei; Winske, Dan; Cowee, Misa; Bougher, Stephen W.; Andersson, Laila; Connerney, Jack; Epley, Jared; Ergun, Robert; McFadden, James P.; Ma, Yingjuan; Toth, Gabor; Curry, Shannon; Nagy, Andrew; Jakosky, Bruce

2015-04-01

Two-dimensional hybrid simulation codes are employed to investigate the kinetic properties of plasmas and waves downstream of the Martian bow shock. The simulations are two-dimensional in space but three dimensional in field and velocity components. Simulations show that ion cyclotron waves are generated by temperature anisotropy resulting from the reflected protons around the Martian bow shock. These proton cyclotron waves could propagate downward into the Martian ionosphere and are expected to heat the O+ layer peaked from 250 to 300 km due to the wave-particle interaction. The proton cyclotron wave heating is anticipated to be a significant source of energy into the thermosphere, which impacts atmospheric escape rates. The simulation results show that the specific dayside heating altitude depends on the Martian crustal field orientations, solar cycles and seasonal variations since both the cyclotron resonance condition and the non/sub-resonant stochastic heating threshold depend on the ambient magnetic field strength. The dayside magnetic field profiles for different crustal field orientation, solar cycle and seasonal variations are adopted from the BATS-R-US Mars multi-fluid MHD model. The simulation results, however, show that the heating of O+ via proton cyclotron wave resonant interaction is not likely in the relatively weak crustal field region, based on our simplified model. This indicates that either the drift motion resulted from the transport of ionospheric O+, or the non/sub-resonant stochastic heating mechanism are important to explain the heating of Martian O+ layer. We will investigate this further by comparing the simulation results with the available MAVEN data. These simulated ion cyclotron waves are important to explain the heating of Martian O+ layer and have significant implications for future observations.

Evidence for symmetry in the elementary process of bidirectional torque generation by the bacterial flagellar motor

PubMed Central

Nakamura, Shuichi; Kami-ike, Nobunori; Yokota, Jun-ichi P.; Minamino, Tohru; Namba, Keiichi

2010-01-01

The bacterial flagellar motor can rotate in both counterclockwise (CCW) and clockwise (CW) directions. It has been shown that the sodium ion-driven chimeric flagellar motor rotates with 26 steps per revolution, which corresponds to the number of FliG subunits that form part of the rotor ring, but the size of the backward step is smaller than the forward one. Here we report that the proton-driven flagellar motor of Salmonella also rotates with 26 steps per revolution but symmetrical in both CCW and CW directions with occasional smaller backward steps in both directions. Occasional shift in the stepping positions is also observed, suggesting the frequent exchange of stators in one of the 11–12 possible anchoring positions around the rotor. These observations indicate that the elementary process of torque generation by the cyclic association/dissociation of the stator with every FliG subunit along the circumference of the rotor is symmetric in CCW and CW rotation even though the structure of FliG is highly asymmetric and suggests a 180° rotation of a FliG domain for the rotor-stator interaction to reverse the direction of rotation. PMID:20876126

Subunit rotation of ATP synthase embedded in membranes: a or β subunit rotation relative to the c subunit ring

PubMed Central

Nishio, Kazuaki; Iwamoto-Kihara, Atsuko; Yamamoto, Akitsugu; Wada, Yoh; Futai, Masamitsu

2002-01-01

ATP synthase FoF1 (α3β3γδɛab2c10–14) couples an electrochemical proton gradient and a chemical reaction through the rotation of its subunit assembly. In this study, we engineered FoF1 to examine the rotation of the catalytic F1 β or membrane sector Fo a subunit when the Fo c subunit ring was immobilized; a biotin-tag was introduced onto the β or a subunit, and a His-tag onto the c subunit ring. Membrane fragments were obtained from Escherichia coli cells carrying the recombinant plasmid for the engineered FoF1 and were immobilized on a glass surface. An actin filament connected to the β or a subunit rotated counterclockwise on the addition of ATP, and generated essentially the same torque as one connected to the c ring of FoF1 immobilized through a His-tag linked to the α or β subunit. These results established that the γɛc10–14 and α3β3δab2 complexes are mechanical units of the membrane-embedded enzyme involved in rotational catalysis. PMID:12357031

Three-dimensional rotational plasma flows near solid surfaces in an axial magnetic field

DOE Office of Scientific and Technical Information (OSTI.GOV)

Gorshunov, N. M., E-mail: gorshunov-nm@nrcki.ru; Potanin, E. P., E-mail: potanin45@yandex.ru

2016-11-15

A rotational flow of a conducting viscous medium near an extended dielectric disk in a uniform axial magnetic field is analyzed in the magnetohydrodynamic (MHD) approach. An analytical solution to the system of nonlinear differential MHD equations of motion in the boundary layer for the general case of different rotation velocities of the disk and medium is obtained using a modified Slezkin–Targ method. A particular case of a medium rotating near a stationary disk imitating the end surface of a laboratory device is considered. The characteristics of a hydrodynamic flow near the disk surface are calculated within the model ofmore » a finite-thickness boundary layer. The influence of the magnetic field on the intensity of the secondary flow is studied. Calculations are performed for a weakly ionized dense plasma flow without allowance for the Hall effect and plasma compressibility. An MHD flow in a rotating cylinder bounded from above by a retarding cap is considered. The results obtained can be used to estimate the influence of the end surfaces on the main azimuthal flow, as well as the intensities of circulating flows in various devices with rotating plasmas, in particular, in plasma centrifuges and laboratory devices designed to study instabilities of rotating plasmas.« less

Water at hydrophobic interfaces delays proton surface-to-bulk transfer and provides a pathway for lateral proton diffusion

PubMed Central

Zhang, Chao; Knyazev, Denis G.; Vereshaga, Yana A.; Ippoliti, Emiliano; Nguyen, Trung Hai; Carloni, Paolo; Pohl, Peter

2012-01-01

Fast lateral proton migration along membranes is of vital importance for cellular energy homeostasis and various proton-coupled transport processes. It can only occur if attractive forces keep the proton at the interface. How to reconcile this high affinity to the membrane surface with high proton mobility is unclear. Here, we tested whether a minimalistic model interface between an apolar hydrophobic phase (n-decane) and an aqueous phase mimics the biological pathway for lateral proton migration. The observed diffusion span, on the order of tens of micrometers, and the high proton mobility were both similar to the values previously reported for lipid bilayers. Extensive ab initio simulations on the same water/n-decane interface reproduced the experimentally derived free energy barrier for the excess proton. The free energy profile GH+ adopts the shape of a well at the interface, having a width of two water molecules and a depth of 6 ± 2RT. The hydroniums in direct contact with n-decane have a reduced mobility. However, the hydroniums in the second layer of water molecules are mobile. Their in silico diffusion coefficient matches that derived from our in vitro experiments, (5.7 ± 0.7) × 10-5 cm2 s-1. Conceivably, these are the protons that allow for fast diffusion along biological membranes. PMID:22675120

Nozzle Flow with Vibrational Nonequilibrium. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Landry, John Gary

1995-01-01

Flow of nitrogen gas through a converging-diverging nozzle is simulated. The flow is modeled using the Navier-Stokes equations that have been modified for vibrational nonequilibrium. The energy equation is replaced by two equations. One equation accounts for energy effects due to the translational and rotational degrees of freedom, and the other accounts for the affects due to the vibrational degree of freedom. The energy equations are coupled by a relaxation time which measures the time required for the vibrational energy component to equilibrate with the translational and rotational energy components. An improved relaxation time is used in this thesis. The equations are solved numerically using the Steger-Warming flux vector splitting method and the Implicit MacCormack method. The results show that uniform flow is produced outside of the boundary layer. Nonequilibrium exists in both the converging and diverging nozzle sections. The boundary layer region is characterized by a marked increase in translational-rotational temperature. The vibrational temperature remains frozen downstream of the nozzle, except in the boundary layer.

Nonlinear Interaction of Waves in Rotating Spherical Layers

NASA Astrophysics Data System (ADS)

Zhilenko, D.; Krivonosova, O.; Gritsevich, M.

2018-01-01

Flows of a viscous incompressible fluid in a spherical layer that are due to rotational oscillations of its inner boundary at two frequencies with respect to the state of rest are numerically studied. It is found that an increase in the amplitude of oscillations of the boundary at the higher frequency can result in a significant enhancement of the low-frequency mode in a flow near the outer boundary. The direction of propagation of the low-frequency wave changes from radial to meridional, whereas the high-frequency wave propagates in the radial direction in a limited inner region of the spherical layer. The role of the meridional circulation in the energy exchange between spaced waves is demonstrated.

Partial differential equations of 3D boundary layer and their numerical solutions in turbomachinery

NASA Astrophysics Data System (ADS)

Zhang, Guoqing; Hua, Yaonan; Wu, Chung-Hua

1991-08-01

This paper studies the 3D boundary layer equations (3DBLE) and their numerical solutions in turbomachinery: (1) the general form of 3DBLE in turbomachines with rotational and curvature effects are derived under the semiorthogonal coordinate system, in which the normal pressure gradient is not equal to zero; (2) the method of solution of the 3DBLE is discussed; (3) the 3D boundary layers on the rotating blade surface, IGV endwall, rotor endwall (with a relatively moving boundary) are numerically solved, and the predicted data correlates well with the measured data; and (4) the comparison is made between the numerical results of 3DBLE with and without normal pressure gradient.

On hydromagnetic oscillations in a rotating cavity.

NASA Technical Reports Server (NTRS)

Gans, R. F.

1971-01-01

Time-dependent hydromagnetic phenomena in a rotating spherical cavity are investigated in the framework of an interior boundary-layer expansion. The first type of wave is a modification of the hydrodynamic inertial wave, the second is a pseudo-geostrophic wave and is involved in spinup, and the third is related to the MAC waves of Braginskii (1967). It is shown that the MAC waves must satisfy more than the usual normal boundary conditions, and that reference must be made to the boundary-layer solution to resolve the ambiguity regarding which conditions are to be taken. The boundary-layer structure is investigated in detail to display the interactions between applied field, viscosity, electrical conductivity, frequency and latitu de.

Band Gap Tuning in 2D Layered Materials by Angular Rotation.

PubMed

Polanco-Gonzalez, Javier; Carranco-Rodríguez, Jesús Alfredo; Enríquez-Carrejo, José L; Mani-Gonzalez, Pierre G; Domínguez-Esquivel, José Manuel; Ramos, Manuel

2017-02-08

We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed.

One-step method for the production of nanofluids

DOEpatents

Kostic, Milivoje [Sycamore, IL; Golubovic, Mihajlo [Chicago, IL; Hull, John [Downers Grove, IL; Choi, Stephen U. S. [Naperville, IL

2011-08-16

A one step method and system for producing nanofluids by a nanoparticle-source evaporation and deposition of the evaporant into a base fluid. The base fluid such oil or ethylene glycol is placed in a rotating cylindrical drum having an adjustable heater-boat-evaporator and heat exchanger-cooler apparatus. As the drum rotates, a thin liquid layer is formed on the inside surface of the drum. An insulated heater-boat-evaporator having an evaporant material (nanoparticle-source) placed within its boat evaporator is adjustably positioned near a portion of the rotating thin liquid layer, the evaporant material being heated thereby evaporating a portion of the evaporant material and forming nanoparticles, the nanoparticles absorbed by the liquid film to form nanofluid.

Band Gap Tuning in 2D Layered Materials by Angular Rotation

PubMed Central

Polanco-Gonzalez, Javier; Carranco-Rodríguez, Jesús Alfredo; Enríquez-Carrejo, José L.; Mani-Gonzalez, Pierre G.; Domínguez-Esquivel, José Manuel; Ramos, Manuel

2017-01-01

We present a series of computer-assisted high-resolution transmission electron (HRTEM) simulations to determine Moiré patters by induced twisting effects between slabs at rotational angles of 3°, 5°, 8°, and 16°, for molybdenum disulfide, graphene, tungsten disulfide, and tungsten selenide layered materials. In order to investigate the electronic structure, a series of numerical simulations using density functional methods (DFT) methods was completed using Cambridge serial total energy package (CASTEP) with a generalized gradient approximation to determine both the band structure and density of states on honeycomb-like new superlattices. Our results indicated metallic transitions when the rotation approached 8° with respect to each other laminates for most of the two-dimensional systems that were analyzed. PMID:28772507

Transfer matrix approach for the Kerr and Faraday rotation in layered nanostructures.

PubMed

Széchenyi, Gábor; Vigh, Máté; Kormányos, Andor; Cserti, József

2016-09-21

To study the optical rotation of the polarization of light incident on multilayer systems consisting of atomically thin conductors and dielectric multilayers we present a general method based on transfer matrices. The transfer matrix of the atomically thin conducting layer is obtained using the Maxwell equations. We derive expressions for the Kerr (Faraday) rotation angle and for the ellipticity of the reflected (transmitted) light as a function of the incident angle and polarization of the light. The method is demonstrated by calculating the Kerr (Faraday) angle for bilayer graphene in the quantum anomalous Hall state placed on the top of dielectric multilayers. The optical conductivity of the bilayer graphene is calculated in the framework of a four-band model.

Inhibition of F1-ATPase Rotational Catalysis by the Carboxyl-terminal Domain of the ϵ Subunit*

PubMed Central

Nakanishi-Matsui, Mayumi; Sekiya, Mizuki; Yano, Shio; Futai, Masamitsu

2014-01-01

Escherichia coli ATP synthase (F0F1) couples catalysis and proton transport through subunit rotation. The ϵ subunit, an endogenous inhibitor, lowers F1-ATPase activity by decreasing the rotation speed and extending the duration of the inhibited state (Sekiya, M., Hosokawa, H., Nakanishi-Matsui, M., Al-Shawi, M. K., Nakamoto, R. K., and Futai, M. (2010) Single molecule behavior of inhibited and active states of Escherichia coli ATP synthase F1 rotation. J. Biol. Chem. 285, 42058–42067). In this study, we constructed a series of ϵ subunits truncated successively from the carboxyl-terminal domain (helix 1/loop 2/helix 2) and examined their effects on rotational catalysis (ATPase activity, average rotation rate, and duration of inhibited state). As expected, the ϵ subunit lacking helix 2 caused about ½-fold reduced inhibition, and that without loop 2/helix 2 or helix 1/loop 2/helix 2 showed a further reduced effect. Substitution of ϵSer108 in loop 2 and ϵTyr114 in helix 2, which possibly interact with the β and γ subunits, respectively, decreased the inhibitory effect. These results suggest that the carboxyl-terminal domain of the ϵ subunit plays a pivotal role in the inhibition of F1 rotation through interaction with other subunits. PMID:25228697

Hydrodynamic structure of the boundary layers in a rotating cylindrical cavity with radial inflow

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herrmann-Priesnitz, Benjamín, E-mail: bherrman@ing.uchile.cl; Torres, Diego A.; Advanced Mining Technology Center, Universidad de Chile, Av. Tupper 2007, Santiago

A flow model is formulated to investigate the hydrodynamic structure of the boundary layers of incompressible fluid in a rotating cylindrical cavity with steady radial inflow. The model considers mass and momentum transfer coupled between boundary layers and an inviscid core region. Dimensionless equations of motion are solved using integral methods and a space-marching technique. As the fluid moves radially inward, entraining boundary layers develop which can either meet or become non-entraining. Pressure and wall shear stress distributions, as well as velocity profiles predicted by the model, are compared to numerical simulations using the software OpenFOAM. Hydrodynamic structure of themore » boundary layers is governed by a Reynolds number, Re, a Rossby number, Ro, and the dimensionless radial velocity component at the periphery of the cavity, U{sub o}. Results show that boundary layers merge for Re < < 10 and Ro > > 0.1, and boundary layers become predominantly non-entraining for low Ro, low Re, and high U{sub o}. Results may contribute to improve the design of technology, such as heat exchange devices, and turbomachinery.« less

Method of fabricating electrode catalyst layers with directionally oriented carbon support for proton exchange membrane fuel cell

DOEpatents

Liu, Di-Jia [Naperville, IL; Yang, Junbing [Bolingbrook, IL

2012-03-20

A membrane electrode assembly (MEA) of the invention comprises an anode and a cathode and a proton conductive membrane therebetween, the anode and the cathode each comprising a patterned sheet of longitudinally aligned transition metal-containing carbon nanotubes, wherein the carbon nanotubes are in contact with and are aligned generally perpendicular to the membrane, wherein a catalytically active transition metal is incorporated throughout the nanotubes.

Proton-induced Nuclear Reactions Using Compact High-Contrast High-Intensity Laser

NASA Astrophysics Data System (ADS)

Ogura, Koichi; Shizuma, Toshiyuki; Hayakawa, Takehito; Yogo, Akifumi; Nishiuchi, Mamiko; Orimo, Satoshi; Sagisaka, Akito; Pirozhkov, Alexander; Mori, Michiaki; Kiriyama, Hiromitsu; Kanazawa, Shuhei; Kondo, Shunji; Nakai, Yoshiki; Shimoura, Takuya; Tanoue, Manabu; Akutsu, Atsushi; Motomura, Tomohiro; Okada, Hajime; Kimura, Toyoaki; Oishi, Yuji; Nayuki, Takuya; Fujii, Takashi; Nemoto, Koshichi; Daido, Hiroyuki

2009-06-01

A multi-MeV proton beam driven by a compact laser with an intensity of ˜1020 W/cm2 is used to induce the nuclear reaction 11B(p,n)11C. The total activity of 11C produced after 60 shots of laser irradiation is found to be 11.1+/-0.4 Bq. The possibility of thin layer activation (TLA) analysis using a high-intensity ultrashort-pulse laser is discussed.

Hubble Space Telescope Metallized Teflon(registered trademark) FEP Thermal Control Materials: On-Orbit Degradation and Post-Retrieval Analysis

NASA Technical Reports Server (NTRS)

Townsend, Jacqueline A.; Hansen, Patricia A.; Dever, J. A.; deGroh, K. K.; Banks, B.; Wang, L.; He, C.

1988-01-01

During the Hubble Space Telescope (HST) Second Servicing Mission (SM2), degradation of unsupported Teflon(Registered Trademark) FEP (fluorinated ethylene propylene), used as the outer layer of the multilayer insulation (MLI) blankets, was evident as large cracks on the telescope light shield. A sample of the degraded outer layer was retrieved during the mission and returned to Earth for ground testing and evaluation. The results of the Teflon(Registered Trademark) FEP sample evaluation and additional testing of pristine Teflon(Registered Trademark) FEP led the investigative team to theorize that the HST damage was caused by thermal cycling with deep-layer damage from electron and proton radiation which allowed the propagation of cracks along stress concentrations , and that the damage increased with the combined total dose of electrons, protons, UV and x-rays along with thermal cycling. This paper discusses the testing and evaluation of the retrieved Teflon(Registered Trademark) FEP.

Anisotropic dielectric phase transition triggered by pendulum-like motion coupled with proton transfer in a layered hybrid crystalline material (4-nitroanilinium+) (18-crown-6) (H2PO4-) (H3PO4)2

NASA Astrophysics Data System (ADS)

Liu, Yang; Zhu, Chun-li; Qin, Liu-lei; Zheng, Xiao-yuan; Liu, Zun-qi

2018-07-01

The organic-inorganic hybrid phase-transition material, (4-nitroanilinium+) (18-crown-6) (H2PO4-) (H3PO4)2 (1), was successfully synthesized. The organic (4-nitroanilinium) (18-crown-6)+ supramolecular cation layer and inorganic phosphate anion layer were arranged alternately. Differential scanning calorimetry (DSC), temperature-dependent dielectric measurements, and variable-temperature single-crystal X-ray diffraction analysis confirmed the reversible isostructural phase transition of 1 with the same space group Pbca at 225 K, wherein the synergistic effect between the pendulum-like motion of organic cations and the proton transfer in the Osbnd H⋯O hydrogen bonding of inorganic anions was mainly responsible for the phase-transition behavior of 1. The most striking dielectric property was the remarkable anisotropy along various crystallographic axes. A potential-energy calculation further supported the possibility of dynamic motion of cations in the crystal.

Dual Ion Species Plasma Expansion from Isotopically Layered Cryogenic Targets

NASA Astrophysics Data System (ADS)

Scott, G. G.; Carroll, D. C.; Astbury, S.; Clarke, R. J.; Hernandez-Gomez, C.; King, M.; Alejo, A.; Arteaga, I. Y.; Dance, R. J.; Higginson, A.; Hook, S.; Liao, G.; Liu, H.; Mirfayzi, S. R.; Rusby, D. R.; Selwood, M. P.; Spindloe, C.; Tolley, M. K.; Wagner, F.; Zemaityte, E.; Borghesi, M.; Kar, S.; Li, Y.; Roth, M.; McKenna, P.; Neely, D.

2018-05-01

A dual ion species plasma expansion scheme from a novel target structure is introduced, in which a nanometer-thick layer of pure deuterium exists as a buffer species at the target-vacuum interface of a hydrogen plasma. Modeling shows that by controlling the deuterium layer thickness, a composite H+/D+ ion beam can be produced by target normal sheath acceleration (TNSA), with an adjustable ratio of ion densities, as high energy proton acceleration is suppressed by the acceleration of a spectrally peaked deuteron beam. Particle in cell modeling shows that a (4.3 ±0.7 ) MeV per nucleon deuteron beam is accelerated, in a directional cone of half angle 9°. Experimentally, this was investigated using state of the art cryogenic targetry and a spectrally peaked deuteron beam of (3.4 ±0.7 ) MeV per nucleon was measured in a cone of half angle 7°-9°, while maintaining a significant TNSA proton component.

Controlling the dual mechanisms of oxide interface doping

NASA Astrophysics Data System (ADS)

Dai, Weitao; Cen, Cheng

The formation of two dimensional electron gas (2DEG) at LaAlO3/SrTiO3 interfaces involves multiple electronic and structural causes. The interplay between them makes the investigation of individual mechanism very challenging. Here we demonstrate the nanoscale selective control of two interface doping pathways: charge transfers from surface adsorbed protons and oxygen vacancies created in LaAlO3 layers. The selective control is achieved by combining intensive electric field generated by conducting AFM probe which controls both the creation/migration of oxygen vacancies and the surface proton density, with plasma assisted surface hydroxylation and solvent based proton solvation that act mainly on surface adsorbates. Robust nanoscale reversible metal-insulator transition was achieved at the interfaces with the LaAlO3 layer thicker than the critic thickness. Different combinations of the experimental methods and doping mechanisms enable highly flexible tuning of the 2DEG's carrier density, mobility and sensitivity to ambient environments. The reversible and independent controls of surface states and vacancies add to the fundamental material research capabilities and can benefit future exploration of designed 2DEG nanoelectronics.

Large scale motions of multiple limit-cycle high Reynolds number annular and toroidal rotor/stator cavities

NASA Astrophysics Data System (ADS)

Bridel-Bertomeu, Thibault; Gicquel, L. Y. M.; Staffelbach, G.

2017-06-01

Rotating cavity flows are essential components of industrial applications but their dynamics are still not fully understood when it comes to the relation between the fluid organization and monitored pressure fluctuations. From computer hard-drives to turbo-pumps of space launchers, designed devices often produce flow oscillations that can either destroy the component prematurely or produce too much noise. In such a context, large scale dynamics of high Reynolds number rotor/stator cavities need better understanding especially at the flow limit-cycle or associated statistically stationary state. In particular, the influence of curvature as well as cavity aspect ratio on the large scale organization and flow stability at a fixed rotating disc Reynolds number is fundamental. To probe such flows, wall-resolved large eddy simulation is applied to two different rotor/stator cylindrical cavities and one annular cavity. Validation of the predictions proves the method to be suited and to capture the disc boundary layer patterns reported in the literature. It is then shown that in complement to these disc boundary layer analyses, at the limit-cycle the rotating flows exhibit characteristic patterns at mid-height in the homogeneous core pointing the importance of large scale features. Indeed, dynamic modal decomposition reveals that the entire flow dynamics are driven by only a handful of atomic modes whose combination links the oscillatory patterns observed in the boundary layers as well as in the core of the cavity. These fluctuations form macro-structures, born in the unstable stator boundary layer and extending through the homogeneous inviscid core to the rotating disc boundary layer, causing its instability under some conditions. More importantly, the macro-structures significantly differ depending on the configuration pointing the need for deeper understanding of the influence of geometrical parameters as well as operating conditions.

Image-guided method for TLD-based in vivo rectal dose verification with endorectal balloon in proton therapy for prostate cancer

DOE Office of Scientific and Technical Information (OSTI.GOV)

Hsi, Wen C.; Fagundes, Marcio; Zeidan, Omar

Purpose: To present a practical image-guided method to position an endorectal balloon that improves in vivo thermoluminiscent dosimeter (TLD) measurements of rectal doses in proton therapy for prostate cancer. Methods: TLDs were combined with endorectal balloons to measure dose at the anterior rectal wall during daily proton treatment delivery. Radiopaque metallic markers were employed as surrogates for balloon position reproducibility in rotation and translation. The markers were utilized to guide the balloon orientation during daily treatment employing orthogonal x-ray image-guided patient positioning. TLDs were placed at the 12 o'clock position on the anterior balloon surface at the midprostatic plane. Markersmore » were placed at the 3 and 9 o'clock positions on the balloon to align it with respect to the planned orientation. The balloon rotation along its stem axis, referred to as roll, causes TLD displacement along the anterior-posterior direction. The magnitude of TLD displacement is revealed by the separation distance between markers at opposite sides of the balloon on sagittal x-ray images. Results: A total of 81 in vivo TLD measurements were performed on six patients. Eighty-three percent of all measurements (65 TLD readings) were within +5% and -10% of the planning dose with a mean of -2.1% and a standard deviation of 3.5%. Examination of marker positions with in-room x-ray images of measured doses between -10% and -20% of the planned dose revealed a strong correlation between balloon roll and TLD displacement posteriorly from the planned position. The magnitude of the roll was confirmed by separations of 10-20 mm between the markers which could be corrected by manually adjusting the balloon position and verified by a repeat x-ray image prior to proton delivery. This approach could properly correct the balloon roll, resulting in TLD positioning within 2 mm along the anterior-posterior direction. Conclusions: Our results show that image-guided TLD-based in vivo dosimetry for rectal dose verification can be perfomed reliably and reproducibly for proton therapy in prostate cancer.« less

Image-guided method for TLD-based in vivo rectal dose verification with endorectal balloon in proton therapy for prostate cancer.

PubMed

Hsi, Wen C; Fagundes, Marcio; Zeidan, Omar; Hug, Eugen; Schreuder, Niek

2013-05-01

To present a practical image-guided method to position an endorectal balloon that improves in vivo thermoluminiscent dosimeter (TLD) measurements of rectal doses in proton therapy for prostate cancer. TLDs were combined with endorectal balloons to measure dose at the anterior rectal wall during daily proton treatment delivery. Radiopaque metallic markers were employed as surrogates for balloon position reproducibility in rotation and translation. The markers were utilized to guide the balloon orientation during daily treatment employing orthogonal x-ray image-guided patient positioning. TLDs were placed at the 12 o'clock position on the anterior balloon surface at the midprostatic plane. Markers were placed at the 3 and 9 o'clock positions on the balloon to align it with respect to the planned orientation. The balloon rotation along its stem axis, referred to as roll, causes TLD displacement along the anterior-posterior direction. The magnitude of TLD displacement is revealed by the separation distance between markers at opposite sides of the balloon on sagittal x-ray images. A total of 81 in vivo TLD measurements were performed on six patients. Eighty-three percent of all measurements (65 TLD readings) were within +5% and -10% of the planning dose with a mean of -2.1% and a standard deviation of 3.5%. Examination of marker positions with in-room x-ray images of measured doses between -10% and -20% of the planned dose revealed a strong correlation between balloon roll and TLD displacement posteriorly from the planned position. The magnitude of the roll was confirmed by separations of 10-20 mm between the markers which could be corrected by manually adjusting the balloon position and verified by a repeat x-ray image prior to proton delivery. This approach could properly correct the balloon roll, resulting in TLD positioning within 2 mm along the anterior-posterior direction. Our results show that image-guided TLD-based in vivo dosimetry for rectal dose verification can be perfomed reliably and reproducibly for proton therapy in prostate cancer.

Analysis of Double Layer and Adsorption Effects at the Alkaline Polymer Electrolyte-Electrode Interface

DTIC Science & Technology

2011-10-05

anion exchange mem - branes (AEM) are an attractive alternative to proton exchange mem - brane (PEM) fuel cells.1, 2 From electrocatalysts standpoint...gener- ally broken down into three distinct regions: the inner Helmholtz plane (IHP), the outer Helmholtz plane ( OHP ), and the diffuse layer. Figure 11...closest approach and is defined as OHP at a distance, x2. Nonspecifically adsorbed ions are distributed in a three dimensional region, called diffuse layer

E2 decay strength of the M1 scissors mode of ^{156}Gd and its first excited rotational state.

PubMed

Beck, T; Beller, J; Pietralla, N; Bhike, M; Birkhan, J; Derya, V; Gayer, U; Hennig, A; Isaak, J; Löher, B; Ponomarev, V Yu; Richter, A; Romig, C; Savran, D; Scheck, M; Tornow, W; Werner, V; Zilges, A; Zweidinger, M

2017-05-26

The E2/M1 multipole mixing ratio δ_{1→2} of the 1_{sc}^{+}→2_{1}^{+} γ-ray decay in ^{156}Gd and hence the isovector E2 transition rate of the scissors mode of a well-deformed rotational nucleus has been measured for the first time. It has been obtained from the angular distribution of an artificial quasimonochromatic linearly polarized γ-ray beam of energy 3.07(6) MeV scattered inelastically off an isotopically highly enriched ^{156}Gd target. The data yield first direct support for the deformation dependence of effective proton and neutron quadrupole boson charges in the framework of algebraic nuclear models. First evidence for a low-lying J^{π}=2^{+} member of the rotational band of states on top of the 1^{+} band head is obtained, too, indicating a significant signature splitting in the K=1 scissors mode rotational band.

T0 chopper developed at KEK

NASA Astrophysics Data System (ADS)

Itoh, Shinichi; Ueno, Kenji; Ohkubo, Ryuji; Sagehashi, Hidenori; Funahashi, Yoshisato; Yokoo, Tetsuya

2012-01-01

We developed a T0 chopper rotating at 100 Hz at the High Energy Accelerator Research Organization (KEK) for the reduction of background noise in neutron scattering experiments at the Japan Proton Accelerator Research Complex (J-PARC). The T0 chopper consists of a rotor of 120 kg made from Inconel X750, supported by mechanical bearings in vacuum. The motor is located outside the vacuum and the rotation is transmitted into vacuum through magnetic seals. The motor should rotate in synchronization with the production timing of pulsed neutrons. The rotational fluctuations and running time were in good agreement with the specifications, i.e., phase control accuracy of less than 5 μs and running time of more than 4000 h without changing any component. A semi-auto installation mechanism was developed for installing under the shielding and for maintenance purposes. Based on the result of the development, actual machines were made for the neutron beamlines at J-PARC. We successfully reduced the background noise to 1/30 at neutron energies near 500 meV.

Accurate thermochemistry and spectroscopy of the oxygen-protonated sulfur dioxide isomers.

PubMed

Puzzarini, Cristina

2011-12-28

Despite the promising relevance of protonated sulfur dioxide in astrophysical and atmospheric fields, its thermochemical and spectroscopic characterization is very limited. High-level quantum-chemical calculations have shown that the most stable isomer is the cis oxygen-protonated sulfur dioxide, HOSO(+), while the trans form is about 2 kcal mol(-1) less stable; even less stable (by about 42 kcal mol(-1)) is the S-protonated isomer [V. Lattanzi et al., J. Chem. Phys., 2010, 133, 194305]. The enthalpy of formation for the cis- and trans-HOSO(+) is presented, based on the well tested HEAT protocol [A. Tajti et al., J. Chem. Phys., 2004, 121, 11599]. Systematically extrapolated ab initio energies, accounting for electron correlation through coupled cluster theory, including up to single, double, triple and quadruple excitations, have been corrected for core-electron correlation, anharmonic zero-point vibrational energy, diagonal Born-Oppenheimer and scalar relativistic effects. As a byproduct, proton affinity of sulfur dioxide and atomization energies have also been obtained at the same levels of theory. Vibrational and rotational spectroscopic properties have been investigated by means of composite schemes that allow us to account for truncation of basis set as well as core correlation. Where available, for both thermochemistry and spectroscopy, very good agreement with experimental data has been observed.

Perspective of Muon Production Target at J-PARC MLF MUSE

NASA Astrophysics Data System (ADS)

Makimura, Shunsuke; Matoba, Shiro; Kawamura, Naritoshi; Matsuzawa, Yukihiro; Tabe, Masato; Aoyagi, Hiroyuki; Kondo, Hiroto; Kobayashi, Yasuo; Fujimori, Hiroshi; Ikedo, Yutaka; Kadono, Ryosuke; Koda, Akihiro; Kojima, Kenji M.; Miyake, Yasuhiro; Nakamura, Jumpei G.; Oishi, Yu; Okabe, Hirotaka; Shimomura, Koichiro; Strasser, Patrick

A pulsed muon beam with unprecedented intensity will be generated by a 3-GeV 333-microA proton beam on a muon target made of 20-mm thick isotropic graphite at J-PARC MLF MUSE (Muon Science Establishment). The first muon beam was successfully generated on September 26th, 2008. Gradually upgrading the beam intensity, continuous 300-kW proton beam has been operated by a fixed target method without replacements till June of 2014. However, the lifetime of the fixed target was anticipated to be less than 1 year by the proton-irradiation damage of the graphite through 1-MW beam operation. To extend the lifetime, a muon rotating target, in which the radiation damage is distributed to a wider area, was installed in September of 2014, and continuous and stable operation has been successfully performed. Because the muon target becomes highly radioactive by the proton irradiation, the maintenance is conducted by remote handling in the Hot cell. In September of 2015, a scraper No. 1 to collimate the proton beam scattered by the target was replaced for further high-power beam operation. Recently, new developments on monitoring and maintenance of the muon target for higher power operation are in progress. In this article, perspective of muon production target at J-PARC MLF MUSE will be described.

Front End and HFOFO Snake for a Muon Facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neuffer, D.; Alexahin, Y.

2015-09-01

A neutrino factory or muon collider requires the capture and cooling of a large number of muons. Scenarios for capture, bunching, phase-energy rotation and initial cooling of μ’s produced from a proton source target have been developed, for neutrino factory and muon collider scenarios. They require a drift section from the target, a bunching section and amore » $$\\phi-\\delta E$$ rotation section leading into the cooling channel. The currently preferred cooling channel design is an “HFOFO Snake” configuration that cools both $$\\mu^+$$ and $$\\mu^-$$ transversely and longitudinally. The status of the design is presented and variations are discussed.« less

DOE Office of Scientific and Technical Information (OSTI.GOV)

Derbenev, Yaroslav S.; Morozov, Vasiliy; Lin, Fanglei

We present a complete scheme for managing the polarization of ion beams in Jefferson Lab's proposed Medium-energy Electron-Ion Collider (MEIC). It provides preservation of the ion polarization during all stages of beam acceleration and polarization control in the collider's experimental straights. We discuss characteristic features of the spin motion in accelerators with Siberian snakes and in accelerators of figure-8 shape. We propose 3D spin rotators for polarization control in the MEIC ion collider ring. We provide polarization calculations in the collider with the 3D rotator for deuteron and proton beams. The main polarization control features of the figure-8 design aremore » summarized.« less

The rotational spectrum of the CH radical in its a 4Sigma(-) state, studied by far-infrared laser magnetic resonance

NASA Technical Reports Server (NTRS)

Nelis, Thomas; Brown, John M.; Evenson, Kenneth M.

1990-01-01

The CH radical has been detected in its a 4Sigma(-) state by the technique of laser magnetic resonance at far-infrared wavelengths. Spectra relating to different spin components of the first three rotational transitions have been recorded. The molecule was generated either by the reaction of F atoms with CH4, with a trace of added oxygen or by the reaction of O atoms with C2H2. The observed resonances have been analyzed and fitted to determine the parameters of an effective Hamiltonian for a molecule in a 4Sigma state. The principal quantities determined are the rotational constant B0 = 451 138.434(94) MHz and the spin-spin parameter lambda(0) = 2785.83(18) MHz. Proton hyperfine parameters have also been determined.

1H NMR study of inclusion compounds of phenylurea derivatives in β-cyclodextrin

NASA Astrophysics Data System (ADS)

Dupuy, N.; Barbry, D.; Bria, M.; Marquis, S.; Vrielynck, L.; Kister, J.

2005-04-01

Proton nuclear magnetic resonance spectroscopy ( 1H NMR), which has become an important tool for the study "in situ" of β-cyclodextrin (β-CD) complexes, was used to study and structurally characterize the inclusion complexes formed between β-CD and isoproturon, fenuron, monuron and diuron. The high variation of the chemical shifts from the proton located inside the cavity (H-3, H-5 and H-6) coupled with the non variation of the one located outer sphere of the β-CD (H-1, H-2 and H-4) provided clear evidence of the inclusion phenomena. Two-dimensional rotating frame Overhauser effect spectroscopy (ROESY) experiments were carried out to further support the proposed inclusion mode.

Projected shell model study of odd-odd f-p-g shell proton-rich nuclei

NASA Astrophysics Data System (ADS)

Palit, R.; Sheikh, J. A.; Sun, Y.; Jain, H. C.

2003-01-01

A systematic study of two-quasiparticle bands of the proton-rich odd-odd nuclei in the mass A˜70 80 region is performed using the projected shell model approach. The study includes Br, Rb, and Y isotopes with N=Z+2 and Z+4. We describe the energy spectra and electromagnetic transition strengths in terms of the configuration mixing of the angular-momentum projected multi-quasiparticle states. Signature splitting and signature inversion in the rotational bands are discussed and are shown to be well described. A preliminary study of the odd-odd N=Z nucleus 74Rb, using the concept of spontaneous symmetry breaking is also presented.

Conformational behaviour of humic substances at different depths along a profile of a Lithosol under loblolly (Pinus taeda) plantation

NASA Astrophysics Data System (ADS)

Conte, P.; Maia, C. M. B. F.; de Pasquale, C.; Alonzo, G.

2009-04-01

The conformation of natural organic matter (NOM) plays a key role in many physical and chemical processes including interactions with organic and inorganic pollutants and soil aggregates stability thus directly influencing soil quality. NOM conformation can be studied by solid state NMR spectroscopy with cross polarization and magic angle spinning (CPMAS NMR). In the present study we applied CPMAS 13C NMR spectroscopy on three humic acid fractions (HA) each extracted from a different horizon in a Lithosol profile under Pinus taeda. Results showed that the most superficial HA was also the most aliphatic in character. Amount of aromatic moieties and hydrophilic HA constituents increased along the profile. Cross polarization (TCH) and longitudinal relaxation protons times in the rotating frame (T1rho(H)) were measured and compared only for the NMR signals generated by carboxyls and alkyls. This because the signal intensity for the aromatic, C-O and C-N systems was very low, thereby preventing suitable evaluation of TCH and T1rho(H) values for such systems. The cross polarization times of carboxyls decreased, whereas those of the alkyl moieties increased with depth. Conversely, T1rho(H) values increased for both COOH and alkyl groups along the profile. Polarization transfer from protons to carbons is affected by the dipolar interactions among the nuclei. The stronger the H-C dipolar interaction, the faster is the rate of the energy exchange. All the factors affecting the dipolar interaction strength also influence the rate of magnetization transfer. Among the others, fast molecular tumbling and poor proton density around the carbons are responsible for long TCH values. Molecular tumbling and proton density also affect T1rho(H) values. Namely, the larger the molecular tumbling and the proton density, the faster is the proton longitudinal relaxation rate in the rotating frame (shorter T1rho(H) values). The decrease of TCH values of COOH groups along the profile was attributed to an increased rigidity of the carboxyl systems. Very likely COOH groups may form hydrogen bondings with other hydrophilic HA components that were progressively revealed at deeper depths. On the other hand, increasing of TCH values of alkyl components was explained with a progressive enhancement of branched chains number. In fact, branches may favor molecular flexibility, thereby enabling faster molecular tumbling and longer cross polarization times. Since the amount of branched chains in the alkyl moieties appeared to increase from the top to the bottom of the soil horizons, the amount of poorly protonated carbons placed in the branch nodes also increases with soil depth. For this reason, proton spin diffusion becomes more difficult and T1rho(H) values increase with the soil depth. Reduced protonation degree may also account for increasing T1rho(H) values of COOH groups. Ackowledgments. The NMR experiments were done at Centro Grandi Apparecchiature (CGA) - UniNetLab of the University of Palermo (Italy).

Origin of the 'dike-like' structure and transitions in eruptive styles at Colton Crater, northern Arizona: San Francisco Volcanic Field REU

NASA Astrophysics Data System (ADS)

Witter, M. R.; Ort, M. H.; Leudemann, L. A.

2013-12-01

Colton Crater, located within the San Francisco Volcanic Field (SFVF) in northern Arizona, is one of over 600 scoria cones in the field. Unlike most other volcanoes in the SFVF, Colton Crater is characterized as a hybrid volcano that had Strombolian, Hawaiian, and Surtseyan explosions. Surtseyan explosions led to the excavation of the center of the volcano, creating a large 1.3-km-diameter crater with a 30-m post-phreatomagmatic scoria cone at its center. A vertical erosion-resistant feature along the northern rim of the crater, originally mapped as a dike, provides valuable information about the sequence and timing of the transition to phreatomagmatic eruptions because it disrupts the otherwise continuous spatter layers deposited just prior to that change. Stratigraphic sections and paleomagnetic analysis of Colton Crater reveal the origin and timing of emplacement of this vertical structure and its place in the transitional eruptive history. The prominent upper layers in the crater walls show some variation throughout the crater, but generally are composed of agglutinated spatter, welded scoria and bombs, and rootless lava flows. The uppermost portion of the outward-dipping spatter layers that lie between the two saddles on the northern rim closely match the layers observed in the vertical structure, revealing that the structure is a section of rotated spatter. The characteristic remanent magnetization (ChRM), identified using alternating field (AF) demagnetization, shows the timing of the displacement of sections of the agglutinated spatter and welded cinder. Sites along the vertical structure yield ChRMs statistically identical to non-rotated sites, which indicates that rotation of the vertical structure occurred before the ChRM had been set, i.e., the layers were above the Curie temperature during rotation. The eruption started as Strombolian and Hawaiian perhaps because the flux of magma overpowered the influx of water from local aquifer formations, creating a stable and sealed conduit. Lava flows associated with the Strombolian and Hawaiian activity breached the northern flank and destabilized the walls of the crater. Water may have been introduced to the magmatic system through conduit collapse beneath the water table or vent migration to a conduit location with greater water flux, leading to the Surtseyan explosions. As space was created on the northern rim, the destabilized spatter layers detached and rotated, creating the vertical structure. The eruption ended with a small Strombolian phase, forming the 30-m-high scoria cone in the bottom of the crater. The sequence of these events must have happened within a short time period because the rotated spatter layers of the vertical structure remained above 580 oC.

Determination of Structures and Energetics of Small- and Medium-Sized One-Carbon-Bridged Twisted Amides using ab Initio Molecular Orbital Methods: Implications for Amidic Resonance along the C-N Rotational Pathway.

PubMed

Szostak, Roman; Aubé, Jeffrey; Szostak, Michal

2015-08-21

Twisted amides containing nitrogen at the bridgehead position are attractive practical prototypes for the investigation of the electronic and structural properties of nonplanar amide linkages. Changes that occur during rotation around the N-C(O) axis in one-carbon-bridged twisted amides have been studied using ab initio molecular orbital methods. Calculations at the MP2/6-311++G(d,p) level performed on a set of one-carbon-bridged lactams, including 20 distinct scaffolds ranging from [2.2.1] to [6.3.1] ring systems, with the C═O bond on the shortest bridge indicate significant variations in structures, resonance energies, proton affinities, core ionization energies, frontier molecular orbitals, atomic charges, and infrared frequencies that reflect structural changes corresponding to the extent of resonance stabilization during rotation along the N-C(O) axis. The results are discussed in the context of resonance theory and activation of amides toward N-protonation (N-activation) by distortion. This study demonstrates that one-carbon-bridged lactams-a class of readily available, hydrolytically robust twisted amides-are ideally suited to span the whole spectrum of the amide bond distortion energy surface. Notably, this study provides a blueprint for the rational design and application of nonplanar amides in organic synthesis. The presented findings strongly support the classical amide bond resonance model in predicting the properties of nonplanar amides.

Composite polymer electrolyte containing ionic liquid and functionalized polyhedral oligomeric silsesquioxanes for anhydrous PEM applications.

PubMed

Subianto, Surya; Mistry, Mayur K; Choudhury, Namita Roy; Dutta, Naba K; Knott, Robert

2009-06-01

A new type of supported liquid membrane was made by combining an ionic liquid (IL) with a Nafion membrane reinforced with multifunctional polyhedral oligomeric silsesquioxanes (POSSs) using a layer-by-layer strategy for anhydrous proton-exchange membrane (PEM) application. The POSS was functionalized by direct sulfonation, and the sulfonated POSS (S-POSS) was incorporated into Nafion 117 membranes by the infiltration method. The resultant hybrid membrane shows strong ionic interaction between the Nafion matrix and the multifunctional POSS, resulting in increased glass transition temperature and thermal stability at very low loadings of S-POSS (1%). The presence of S-POSS has also improved the proton conductivity especially at low humidities, where it shows a marked increase due to its confinement in the ionic domains and promotes water uptake by capillary condensation. In order to achieve anhydrous conductivity, the IL 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BMI-BTSI) was incorporated into these membranes to provide proton conduction in the absence of water. Although the incorporation of an IL shows a plasticizing effect on the Nafion membrane, the S-POSS composite membrane with an IL shows a higher modulus at high temperatures compared to Nafion 117 and a Nafion-IL membrane, with significantly higher proton conductivity (5 mS/cm at 150 degrees C with 20% IL). This shows the ability of the multifunctional POSS and IL to work symbiotically to achieve the desirable proton conductivity and mechanical properties of such membranes by enhancing the ionic interaction within the material.

Stability of the tungsten diselenide and silicon carbide heterostructure against high energy proton exposure

NASA Astrophysics Data System (ADS)

Walker, Roger C.; Shi, Tan; Jariwala, Bhakti; Jovanovic, Igor; Robinson, Joshua A.

2017-10-01

Single layers of tungsten diselenide (WSe2) can be used to construct ultra-thin, high-performance electronics. Additionally, there has been considerable progress in controlled and direct growth of single layers on various substrates. Based on these results, high-quality WSe2-based devices that approach the limit of physical thickness are now possible. Such devices could be useful for space applications, but understanding how high-energy radiation impacts the properties of WSe2 and the WSe2/substrate interface has been lacking. In this work, we compare the stability against high energy proton radiation of WSe2 and silicon carbide (SiC) heterostructures generated by mechanical exfoliation of WSe2 flakes and by direct growth of WSe2 via metal-organic chemical vapor deposition (MOCVD). These two techniques produce WSe2/SiC heterostructures with distinct differences due to interface states generated during the MOCVD growth process. This difference carries over to differences in band alignment from interface states and the ultra-thin nature of the MOCVD-grown material. Both heterostructures are not susceptible to proton-induced charging up to a dose of 1016 protons/cm2, as measured via shifts in the binding energy of core shell electrons and a decrease in the valence band offset. Furthermore, the MOCVD-grown material is less affected by the proton exposure due to its ultra-thin nature and a greater interaction with the substrate. These combined effects show that the directly grown material is suitable for multi-year use in space, provided that high quality devices can be fabricated from it.

Hot-embossing replication of self-centering optical fiber alignment structures prototyped by deep proton writing

NASA Astrophysics Data System (ADS)

Ebraert, Evert; Wissmann, Markus; Guttmann, Markus; Kolew, Alexander; Worgull, Matthias; Barié, Nicole; Schneider, Marc; Hofmann, Andreas; Beri, Stefano; Watté, Jan; Thienpont, Hugo; Van Erps, Jürgen

2016-07-01

This paper presents the hot-embossing replication of self-centering fiber alignment structures for high-precision, single-mode optical fiber connectors. To this end, a metal mold insert was fabricated by electroforming a polymer prototype patterned by means of deep proton writing (DPW). To achieve through-hole structures, we developed a postembossing process step to remove the residual layer inherently present in hot-embossed structures. The geometrical characteristics of the hot-embossed replicas are compared, before and after removal of the residual layer, with the DPW prototypes. Initial measurements on the optical performance of the replicas are performed. The successful replication of these components paves the way toward low-cost mass replication of DPW-fabricated prototypes in a variety of high-tech plastics.

Proton Order-Disorder Phenomena in a Hydrogen-Bonded Rhodium-η(5)-Semiquinone Complex: A Possible Dielectric Response Mechanism.

PubMed

Mitsumi, Minoru; Ezaki, Kazunari; Komatsu, Yuuki; Toriumi, Koshiro; Miyatou, Tatsuya; Mizuno, Motohiro; Azuma, Nobuaki; Miyazaki, Yuji; Nakano, Motohiro; Kitagawa, Yasutaka; Hanashima, Takayasu; Kiyanagi, Ryoji; Ohhara, Takashi; Nakasuji, Kazuhiro

2015-06-26

A newly synthesized one-dimensional (1D) hydrogen-bonded (H-bonded) rhodium(II)-η(5)-semiquinone complex, [Cp*Rh(η(5)-p-HSQ-Me4)]PF6 ([1]PF6; Cp* = 1,2,3,4,5-pentamethylcyclopentadienyl; HSQ = semiquinone) exhibits a paraelectric-antiferroelectric second-order phase transition at 237.1 K. Neutron and X-ray crystal structure analyses reveal that the H-bonded proton is disordered over two sites in the room-temperature (RT) phase. The phase transition would arise from this proton disorder together with rotation or libration of the Cp* ring and PF6(-) ion. The relative permittivity εb' along the H-bonded chains reaches relatively high values (ca., 130) in the RT phase. The temperature dependence of (13)C CP/MAS NMR spectra demonstrates that the proton is dynamically disordered in the RT phase and that the proton exchange has already occurred in the low-temperature (LT) phase. Rate constants for the proton exchange are estimated to be 10(-4)-10(-6) s in the temperature range of 240-270 K. DFT calculations predict that the protonation/deprotonation of [1](+) leads to interesting hapticity changes of the semiquinone ligand accompanied by reduction/oxidation by the π-bonded rhodium fragment, producing the stable η(6)-hydroquinone complex, [Cp*Rh(3+)(η(6)-p-H2Q-Me4)](2+) ([2](2+)), and η(4)-benzoquinone complex, [Cp*Rh(+)(η(4)-p-BQ-Me4)] ([3]), respectively. Possible mechanisms leading to the dielectric response are discussed on the basis of the migration of the protonic solitons comprising of [2](2+) and [3], which would be generated in the H-bonded chain. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Emission of energetic protons from relativistic intensity laser interaction with a cone-wire target.

PubMed

Paradkar, B S; Yabuuchi, T; Sawada, H; Higginson, D P; Link, A; Wei, M S; Stephens, R B; Krasheninnikov, S I; Beg, F N

2012-11-01

Emission of energetic protons (maximum energy ∼18 MeV) from the interaction of relativistic intensity laser with a cone-wire target is experimentally measured and numerically simulated with hybrid particle-in-cell code, lsp [D. R. Welch et al., Phys. Plasmas 13, 063105 (2006)]. The protons originate from the wire attached to the cone after the OMEGA EP laser (670 J, 10 ps, 5 × 10^{18} W/cm^{2}) deposits its energy inside the cone. These protons are accelerated from the contaminant layer on the wire surface, and are measured in the radial direction, i.e., in a direction transverse to the wire length. Simulations show that the radial electric field, responsible for the proton acceleration, is excited by three factors, viz., (i) transverse momentum of the relativistic fast electrons beam entering into the wire, (ii) scattering of electrons inside the wire, and (iii) refluxing of escaped electrons by "fountain effect" at the end of the wire. The underlying physics of radial electric field and acceleration of protons is discussed.

Variations in VLT/UVES-based OH rotational temperatures for time scales from hours to 15 years

NASA Astrophysics Data System (ADS)

Noll, Stefan; Kimeswenger, Stefan; Proxauf, Bastian; Kausch, Wolfgang; Unterguggenberger, Stefanie; Jones, Amy M.

2017-04-01

Hydroxyl (OH) emission is an important tracer of the climate, chemistry, and dynamics of the Earth's mesopause region. However, the relation of intensity variations in different OH lines is not well understood yet. This is critical for the most popular use of OH lines: the estimate of ambient temperatures based on transitions at low rotational levels of the same band. It is possible that the measured variability of the derived rotational temperature does not coincide with changes in the ambient temperature. Such differences can be caused by varying deviations from the local thermodynamic equilibrium (LTE) for the population distribution over the considered rotational levels. The non-LTE effects depend on the ratio of the thermalising collisions (mostly related to molecular oxygen) and competing radiative transitions or collisions without thermalisation of the rotational level distribution. Therefore, significant changes in the vertical structure of excited OH and its main quenchers can affect the temperature measurements. We have investigated the variability of OH rotational temperatures and the corresponding contributions of non-LTE effects for different OH bands and time scales up to 15 years based on data of the high-resolution echelle spectrograph UVES at the Very Large Telescope at Cerro Paranal in Chile. In order to link the measured rotational temperatures with the structure of the OH emission layer, we have also studied OH emission and kinetic temperature profiles from the multi-channel radiometer SABER on the TIMED satellite taken between 2002 and 2015. The results show that non-LTE contributions can significantly affect the OH rotational temperatures. Their variations can be especially strong during the night and for high upper vibrational levels of the transitions, where amplitudes of several Kelvins can be measured. They appear to be weak if long-term variations such as those caused by the solar cycle are investigated. These differences in the response correlate with changes in the effective height of the OH emission layer and the effective air density in the layer. The latter confirms the expected important role of molecular oxygen for the thermalisation of the OH rotational level populations.

On sharp vorticity gradients in elongating baroclinic eddies and their stabilization with a solid-body rotation

NASA Astrophysics Data System (ADS)

Sutyrin, Georgi G.

2016-06-01

Wide compensated vortices are not able to remain circular in idealized two-layer models unless the ocean depth is assumed to be unrealistically large. Small perturbations on both cyclonic and anticyclonic eddies grow slower if a middle layer with uniform potential vorticity (PV) is added, owing to a weakening of the vertical coupling between the upper and lower layers and a reduction of the PV gradient in the deep layer. Numerical simulations show that the nonlinear development of the most unstable elliptical mode causes self-elongation of the upper vortex core and splitting of the deep PV anomaly into two corotating parts. The emerging tripolar flow pattern in the lower layer results in self-intensification of the fluid rotation in the water column around the vortex center. Further vortex evolution depends on the model parameters and initial conditions, which limits predictability owing to multiple equilibrium attractors existing in the dynamical system. The vortex core strips thin filaments, which roll up into submesoscale vortices to result in substantial mixing at the vortex periphery. Stirring and damping of vorticity by bottom friction are found to be essential for subsequent vortex stabilization. The development of sharp PV gradients leads to nearly solid-body rotation inside the vortex core and formation of transport barriers at the vortex periphery. These processes have important implications for understanding the longevity of real-ocean eddies.

Electrorotation of a metal sphere immersed in an electrolyte of finite Debye length.

PubMed

García-Sánchez, Pablo; Ramos, Antonio

2015-11-01

We theoretically study the rotation induced on a metal sphere immersed in an electrolyte and subjected to a rotating electric field. The rotation arises from the interaction of the field with the electric charges induced at the metal-electrolyte interface, i.e., the induced electrical double layer (EDL). Particle rotation is due to the torque on the induced dipole, and also from induced-charge electro-osmostic flow (ICEO). The interaction of the electric field with the induced dipole on the system gives rise to counterfield rotation, i.e., the direction opposite to the rotation of the electric field. ICEO generates co-field rotation of the sphere. For thin EDL, ICEO generates negligible rotation. For increasing size of EDL, co-field rotation appears and, in the limit of very thick EDL, it compensates the counter-field rotation induced by the electrical torque. We also report computations of the rotating fluid velocity field around the sphere.

Artificial synapse network on inorganic proton conductor for neuromorphic systems.

PubMed

Zhu, Li Qiang; Wan, Chang Jin; Guo, Li Qiang; Shi, Yi; Wan, Qing

2014-01-01

The basic units in our brain are neurons, and each neuron has more than 1,000 synapse connections. Synapse is the basic structure for information transfer in an ever-changing manner, and short-term plasticity allows synapses to perform critical computational functions in neural circuits. Therefore, the major challenge for the hardware implementation of neuromorphic computation is to develop artificial synapse network. Here in-plane lateral-coupled oxide-based artificial synapse network coupled by proton neurotransmitters are self-assembled on glass substrates at room-temperature. A strong lateral modulation is observed due to the proton-related electrical-double-layer effect. Short-term plasticity behaviours, including paired-pulse facilitation, dynamic filtering and spatiotemporally correlated signal processing are mimicked. Such laterally coupled oxide-based protonic/electronic hybrid artificial synapse network proposed here is interesting for building future neuromorphic systems.

Boundary Layer Transition Detection on a Rotor Blade Using Rotating Mirror Thermography

NASA Technical Reports Server (NTRS)

Heineck, James T.; Schuelein, Erich; Raffel, Markus

2014-01-01

Laminar-to-turbulent transition on a rotor blade in hover has been imaged using an area-scan infrared camera. A new method for tracking a blade using a rotating mirror was employed. The mirror axis of rotation roughly corresponded to the rotor axis of rotation and the mirror rotational frequency is 1/2 that of the rotor. This permitted the use of cameras whose integration time was too long to prevent image blur due to the motion of the blade. This article will show the use of this method for a rotor blade at different collective pitch angles.

Gate-tunable resonant tunneling in double bilayer graphene heterostructures.

PubMed

Fallahazad, Babak; Lee, Kayoung; Kang, Sangwoo; Xue, Jiamin; Larentis, Stefano; Corbet, Christopher; Kim, Kyounghwan; Movva, Hema C P; Taniguchi, Takashi; Watanabe, Kenji; Register, Leonard F; Banerjee, Sanjay K; Tutuc, Emanuel

2015-01-14

We demonstrate gate-tunable resonant tunneling and negative differential resistance in the interlayer current-voltage characteristics of rotationally aligned double bilayer graphene heterostructures separated by hexagonal boron nitride (hBN) dielectric. An analysis of the heterostructure band alignment using individual layer densities, along with experimentally determined layer chemical potentials indicates that the resonance occurs when the energy bands of the two bilayer graphene are aligned. We discuss the tunneling resistance dependence on the interlayer hBN thickness, as well as the resonance width dependence on mobility and rotational alignment.

Tunable Optical Polymer Systems (TOPS)

DTIC Science & Technology

2001-05-01

pixelation o1 displays is done. One team member has combined this work with self-assembling layers so that it is possible to make three-dimensional...I THERMOCHROMISM I ELECTROCHEMILUMINESCENCE (ECL) I MAGNETOCHROMISM I TUNABLE ELECTROLUMINESCENCE (EL) PROTONIC BAND GAP (PBG) SELECTIVE...via Selective Reflection • Chiral-nematic liquid crystalline film as a helical stack of quasinematic layers , illustrated below with a LH structure

Rotational symmetry breaking in the topological superconductor SrxBi2Se3 probed by upper-critical field experiments

NASA Astrophysics Data System (ADS)

Pan, Y.; Nikitin, A. M.; Araizi, G. K.; Huang, Y. K.; Matsushita, Y.; Naka, T.; de Visser, A.

2016-06-01

Recently it was demonstrated that Sr intercalation provides a new route to induce superconductivity in the topological insulator Bi2Se3. Topological superconductors are predicted to be unconventional with an odd-parity pairing symmetry. An adequate probe to test for unconventional superconductivity is the upper critical field, Bc2. For a standard BCS layered superconductor Bc2 shows an anisotropy when the magnetic field is applied parallel and perpendicular to the layers, but is isotropic when the field is rotated in the plane of the layers. Here we report measurements of the upper critical field of superconducting SrxBi2Se3 crystals (Tc = 3.0 K). Surprisingly, field-angle dependent magnetotransport measurements reveal a large anisotropy of Bc2 when the magnet field is rotated in the basal plane. The large two-fold anisotropy, while six-fold is anticipated, cannot be explained with the Ginzburg-Landau anisotropic effective mass model or flux flow induced by the Lorentz force. The rotational symmetry breaking of Bc2 indicates unconventional superconductivity with odd-parity spin-triplet Cooper pairs (Δ4-pairing) recently proposed for rhombohedral topological superconductors, or might have a structural nature, such as self-organized stripe ordering of Sr atoms.

LDV measurement of boundary layer on rotating blade surface in wind tunnel

NASA Astrophysics Data System (ADS)

Maeda, Takao; Kamada, Yasunari; Murata, Junsuke; Suzuki, Daiki; Kaga, Norimitsu; Kagisaki, Yosuke

2014-12-01

Wind turbines generate electricity due to extracting energy from the wind. The rotor aerodynamics strongly depends on the flow around blade. The surface flow on the rotating blade affects the sectional performance. The wind turbine surface flow has span-wise component due to span-wise change of airfoil section, chord length, twisted angle of blade and centrifugal force on the flow. These span-wise flow changes the boundary layer on the rotating blade and the sectional performance. Hence, the thorough understanding of blade surface flow is important to improve the rotor performance. For the purpose of clarification of the flow behaviour around the rotor blade, the velocity in the boundary layer on rotating blade surface of an experimental HAWT was measured in a wind tunnel. The velocity measurement on the blade surface was carried out by a laser Doppler velocimeter (LDV). As the results of the measurement, characteristics of surface flow are clarified. In optimum tip speed operation, the surface flow on leading edge and r/R=0.3 have large span-wise velocity which reaches 20% of sectional inflow velocity. The surface flow inboard have three dimensional flow patterns. On the other hand, the flow outboard is almost two dimensional in cross sectional plane.

Rotational symmetry breaking in the topological superconductor SrxBi2Se3 probed by upper-critical field experiments.

PubMed

Pan, Y; Nikitin, A M; Araizi, G K; Huang, Y K; Matsushita, Y; Naka, T; de Visser, A

2016-06-28

Recently it was demonstrated that Sr intercalation provides a new route to induce superconductivity in the topological insulator Bi2Se3. Topological superconductors are predicted to be unconventional with an odd-parity pairing symmetry. An adequate probe to test for unconventional superconductivity is the upper critical field, Bc2. For a standard BCS layered superconductor Bc2 shows an anisotropy when the magnetic field is applied parallel and perpendicular to the layers, but is isotropic when the field is rotated in the plane of the layers. Here we report measurements of the upper critical field of superconducting SrxBi2Se3 crystals (Tc = 3.0 K). Surprisingly, field-angle dependent magnetotransport measurements reveal a large anisotropy of Bc2 when the magnet field is rotated in the basal plane. The large two-fold anisotropy, while six-fold is anticipated, cannot be explained with the Ginzburg-Landau anisotropic effective mass model or flux flow induced by the Lorentz force. The rotational symmetry breaking of Bc2 indicates unconventional superconductivity with odd-parity spin-triplet Cooper pairs (Δ4-pairing) recently proposed for rhombohedral topological superconductors, or might have a structural nature, such as self-organized stripe ordering of Sr atoms.

Rotational symmetry breaking in the topological superconductor SrxBi2Se3 probed by upper-critical field experiments

PubMed Central

Pan, Y.; Nikitin, A. M.; Araizi, G. K.; Huang, Y. K.; Matsushita, Y.; Naka, T.; de Visser, A.

2016-01-01

Recently it was demonstrated that Sr intercalation provides a new route to induce superconductivity in the topological insulator Bi2Se3. Topological superconductors are predicted to be unconventional with an odd-parity pairing symmetry. An adequate probe to test for unconventional superconductivity is the upper critical field, Bc2. For a standard BCS layered superconductor Bc2 shows an anisotropy when the magnetic field is applied parallel and perpendicular to the layers, but is isotropic when the field is rotated in the plane of the layers. Here we report measurements of the upper critical field of superconducting SrxBi2Se3 crystals (Tc = 3.0 K). Surprisingly, field-angle dependent magnetotransport measurements reveal a large anisotropy of Bc2 when the magnet field is rotated in the basal plane. The large two-fold anisotropy, while six-fold is anticipated, cannot be explained with the Ginzburg-Landau anisotropic effective mass model or flux flow induced by the Lorentz force. The rotational symmetry breaking of Bc2 indicates unconventional superconductivity with odd-parity spin-triplet Cooper pairs (Δ4-pairing) recently proposed for rhombohedral topological superconductors, or might have a structural nature, such as self-organized stripe ordering of Sr atoms. PMID:27350295

Layer-by-layer self-assembly in the development of electrochemical energy conversion and storage devices from fuel cells to supercapacitors.

PubMed

Xiang, Yan; Lu, Shanfu; Jiang, San Ping

2012-11-07

As one of the most effective synthesis tools, layer-by-layer (LbL) self-assembly technology can provide a strong non-covalent integration and accurate assembly between homo- or hetero-phase compounds or oppositely charged polyelectrolytes, resulting in highly-ordered nanoscale structures or patterns with excellent functionalities and activities. It has been widely used in the developments of novel materials and nanostructures or patterns from nanotechnologies to medical fields. However, the application of LbL self-assembly in the development of highly efficient electrocatalysts, specific functionalized membranes for proton exchange membrane fuel cells (PEMFCs) and electrode materials for supercapacitors is a relatively new phenomenon. In this review, the application of LbL self-assembly in the development and synthesis of key materials of PEMFCs including polyelectrolyte multilayered proton-exchange membranes, methanol-blocking Nafion membranes, highly uniform and efficient Pt-based electrocatalysts, self-assembled polyelectrolyte functionalized carbon nanotubes (CNTs) and graphenes will be reviewed. The application of LbL self-assembly for the development of multilayer nanostructured materials for use in electrochemical supercapacitors will also be reviewed and discussed (250 references).

Investigation of the Stability and 1.0 MeV Proton Radiation Resistance of Commercially Produced Hydrogenated Amorphous Silicon Alloy Solar Cells

NASA Technical Reports Server (NTRS)

Lord, Kenneth R., II; Walters, Michael R.; Woodyard, James R.

1994-01-01

The radiation resistance of commercial solar cells fabricated from hydrogenated amorphous silicon alloys is reported. A number of different device structures were irradiated with 1.0 MeV protons. The cells were insensitive to proton fluences below 1E12 sq cm. The parameters of the irradiated cells were restored with annealing at 200 C. The annealing time was dependent on proton fluence. Annealing devices for one hour restores cell parameters for fluences below 1E14 sq cm fluences above 1E14 sq cm require longer annealing times. A parametric fitting model was used to characterize current mechanisms observed In dark I-V measurements. The current mechanism were explored with irradiation fluence, and voltage and light soaking times. The thermal generation current density and quality factor increased with proton fluence. Device simulation shows the degradation in cell characteristics may be explained by the reduction of the electric field in the intrinsic layer.

pH-Sensitive breathing of clay within the polyelectrolyte matrix.

PubMed

Chaturbedy, Piyush; Jagadeesan, Dinesh; Eswaramoorthy, Muthusamy

2010-10-26

Stimuli-responsive organic-inorganic hybrid spheres were synthesized by coating the colloidal polystyrene spheres with polyelectrolyte-protected aminoclay, Mg phyllo(organo)silicate layers in a layer-by-layer method. The clay layers are sandwiched between the polyelectrolyte layers. The aminoclay swells in water due to protonation of amino groups, and the degree of swelling depends on the pH of the medium. As a result, the hybrid spheres undergo a size change up to 60% as the pH is changed from 9 to 4. The stimuli-responsive property of the hybrid spheres was used for the release of ibuprofen and eosin at different pH.

Collisionless magnetic reconnection in curved spacetime and the effect of black hole rotation

NASA Astrophysics Data System (ADS)

Comisso, Luca; Asenjo, Felipe A.

2018-02-01

Magnetic reconnection in curved spacetime is studied by adopting a general-relativistic magnetohydrodynamic model that retains collisionless effects for both electron-ion and pair plasmas. A simple generalization of the standard Sweet-Parker model allows us to obtain the first-order effects of the gravitational field of a rotating black hole. It is shown that the black hole rotation acts to increase the length of azimuthal reconnection layers, thus leading to a decrease of the reconnection rate. However, when coupled to collisionless thermal-inertial effects, the net reconnection rate is enhanced with respect to what would happen in a purely collisional plasma due to a broadening of the reconnection layer. These findings identify an underlying interaction between gravity and collisionless magnetic reconnection in the vicinity of compact objects.

Differential rotation in magnetic chemically peculiar stars

NASA Astrophysics Data System (ADS)

Mikulášek, Z.; Krtička, J.; Paunzen, E.; Švanda, M.; Hummerich, S.; Bernhard, K.; Jagelka, M.; Janík, J.; Henry, G. W.; Shultz, M. E.

2018-01-01

Magnetic chemically peculiar (mCP) stars constitute about 10% of upper-main-sequence stars and are characterized by strong magnetic fields and abnormal photospheric abundances of some chemical elements. Most of them exhibit strictly periodic light, magnetic, radio, and spectral variations that can be fully explained by a rigidly rotating main-sequence star with persistent surface structures and a stable global magnetic field. Long-term observations of the phase curves of these variations enable us to investigate possible surface differential rotation with unprecedented accuracy and reliability. The analysis of the phase curves in the best-observed mCP stars indicates that the location and the contrast of photometric and spectroscopic spots as well as the geometry of the magnetic field remain constant for at least many decades. The strict periodicity of mCP variables supports the concept that the outer layers of upper-main-sequence stars do not rotate differentially. However, there is a small, inhomogeneous group consisting of a few mCP stars whose rotation periods vary on timescales of decades. The period oscillations may reflect real changes in the angular velocity of outer layers of the stars which are anchored by their global magnetic fields. In CU Vir, V901 Ori, and perhaps BS Cir, the rotational period variation indicates the presence of vertical differential rotation; however, its exact nature has remained elusive until now. The incidence of mCP stars with variable rotational periods is currently investigated using a sample of fifty newly identified Kepler mCP stars.

Proton dynamics and surface heterogeneity of silica gel with adsorbed benzene below one monolayer coverage

DOE Office of Scientific and Technical Information (OSTI.GOV)

Peterson, E.M.; O'Reilly, D.E.; Tsangb), T.

1979-04-01

Proton and deuteron NMR relaxation times of C/sub 6/H/sub 6/, C/sub 6/D/sub 6/, and mixtures of these molecules have been measured on a superpure silica gel (SPSG) and a sample of a Matheson silica gel (MSG) both dehydrated at 600/sup 0/ C and rotational (intramolecular) and translational (intermolecular) correlation times have been computed from the relaxation time data at a statistical coverage theta=0.6. Three kinds of adsorption sites have been observed: (1) A sites, which are probably oxygen vacancies on the surface, (2) B sites which are assigned to paired hydroxyl groups on the surface, and finally (3) C sitesmore » which comprise 80% of the occupied surface and are primarily isolated hydroxyl groups. Rotational and translational motions are highly correlated for the A and B site molecules. The mean number of molecules clustered at the A and B sites are inferred from the intermolecular second moments associated with each of these sites. The surface density of the A sites is 1.1 x 10/sup 12/ cm/sup -2/ for SPSG and 3.1 x 10/sup 12/ cm/sup -2/ for MSG.« less

Structure of positive parity bands and observation of magnetic rotation in 108Ag

NASA Astrophysics Data System (ADS)

Sethi, Jasmine; Palit, R.

2015-10-01

The interplay of nuclear forces among the neutron particles (holes) and proton holes (particles) in the odd-odd nuclei gives rise to a variety of shapes and hence novel modes of excitations. The odd-odd nuclei in the A ~ 110 region have proton holes in the g9/2 orbital and the neutron particles in the h11/2 orbitals. A systematic study of shears mechanism in A ~ 110 region indicates the presence of magnetic rotation (MR) phenomenon in Ag and In isotopes. Therefore, the structure of doubly odd 108Ag nucleus was probed in two different reactions, i.e, 100Mo(11B, 4n)108Ag at 39 MeV and 94Zr(18O, p3n)108Ag at 72 MeV beam energies. The emitted γ-rays were detected using the Indian National Gamma Array (INGA) at TIFR, Mumbai. A significant number of new transitions and energy levels were identified. Lifetime measurements, using the Doppler shift attenuation method, have been carried out for a positive parity dipole band. Tilted Axis Cranking (TAC) calculations have been performed for two positive parity dipole bands.

Effect of Processing Parameters on Plastic Flow and Defect Formation in Friction-Stir-Welded Aluminum Alloy

NASA Astrophysics Data System (ADS)

Zeng, X. H.; Xue, P.; Wang, D.; Ni, D. R.; Xiao, B. L.; Ma, Z. Y.

2018-07-01

The effect of processing parameters on material flow and defect formation during friction stir welding (FSW) was investigated on 6.0-mm-thick 2014Al-T6 rolled plates with an artificially thickened oxide layer on the butt surface as the marker material. It was found that the "S" line in the stir zone (SZ) rotated with the pin and stayed on the retreating side (RS) and advancing side (AS) at low and high heat inputs, respectively. When the tool rotation rate was extremely low, the oxide layer under the pin moved to the RS first and then to the AS perpendicular to the welding direction, rather than rotating with the pin. The material flow was driven by the shear stresses produced by the forces at the pin-workpiece interface. With increases of the rotation rate, the depth of the shoulder-affected zone (SAZ) first decreased and then increased due to the decreasing shoulder friction force and increasing heat input. Insufficient material flow appeared in the whole of the SZ at low rotation rates and in the bottom of the SZ at high rotation rates, resulting in the formation of the "S" line. The extremely inadequate material flow is the reason for the lack of penetration and the kissing bonds in the bottom of the SZ at extremely low and low rotation rates, respectively.

Effect of Processing Parameters on Plastic Flow and Defect Formation in Friction-Stir-Welded Aluminum Alloy

NASA Astrophysics Data System (ADS)

Zeng, X. H.; Xue, P.; Wang, D.; Ni, D. R.; Xiao, B. L.; Ma, Z. Y.

2018-04-01

The effect of processing parameters on material flow and defect formation during friction stir welding (FSW) was investigated on 6.0-mm-thick 2014Al-T6 rolled plates with an artificially thickened oxide layer on the butt surface as the marker material. It was found that the "S" line in the stir zone (SZ) rotated with the pin and stayed on the retreating side (RS) and advancing side (AS) at low and high heat inputs, respectively. When the tool rotation rate was extremely low, the oxide layer under the pin moved to the RS first and then to the AS perpendicular to the welding direction, rather than rotating with the pin. The material flow was driven by the shear stresses produced by the forces at the pin-workpiece interface. With increases of the rotation rate, the depth of the shoulder-affected zone (SAZ) first decreased and then increased due to the decreasing shoulder friction force and increasing heat input. Insufficient material flow appeared in the whole of the SZ at low rotation rates and in the bottom of the SZ at high rotation rates, resulting in the formation of the "S" line. The extremely inadequate material flow is the reason for the lack of penetration and the kissing bonds in the bottom of the SZ at extremely low and low rotation rates, respectively.

Unsteady processes in the vicinity of the heliopause: Are we in the LISM yet?

DOE PAGES

Pogorelov, N. V.; Borovikov, S. N.; Burlaga, L. F.; ...

2013-06-13

As the twin Voyager spacecraft approach the boundary of the heliosphere, they continue returning new and unexplained measurements of the solar wind (SW) protons, energetic particles, and magnetic field that often differ markedly between the two spacecraft. Our recent studies show that time-dependent effects play a crucial role in understanding and interpreting the observational data. Since the SW is unsteady on many different time scales, its interaction with the local interstellar medium (LISM) should reflect the solar rotation and cycle, as well as merged interplanetary disturbances. Even a simplified solar cycle model allowed us to predict in 2009 the possibilitymore » of a negative radial velocity component in the SWas the heliopause is approached. Further analysis shows a nearly vanishing latitudinal velocity component, while the longitudinal component becomes comparable substantial. Here we discuss the change of the magnetic field and plasma properties across the heliopause, which is important for the identification of its spacecraft crossing. In conclusion, we discuss the effects of heliopause instabilities and corotating interaction regions, and demonstrate that Voyagers are unlikely to see a sharp boundary between the SW and the LISM, but rather a mixing layer of varying width.« less

Initial stage of atomic layer deposition of 2D-MoS2 on a SiO2 surface: a DFT study.

PubMed

Shirazi, M; Kessels, W M M; Bol, A A

2018-06-20

In this study, we investigate the reactions involving Atomic Layer Deposition (ALD) of 2D-MoS2 from the heteroleptic precursor Mo(NMe2)2(NtBu)2 and H2S as the co-reagent on a SiO2(0001) surface by means of density functional theory (DFT). All dominant reaction pathways from the early stage of adsorption of each ALD reagent to the formation of bulk-like Mo and S at the surface are identified. In the metal pulse, proton transfer from terminal OH groups on the SiO2 to the physisorbed metal precursor increases the Lewis acidity of Mo and Lewis basicity of O, which gives rise to the chemical adsorption of the metal precursor. Proton transfer from the surface to the dimethylamido ligands leads to the formation and desorption of dimethylamine. In contrast, the formation and desorption of tert-butylamine is not energetically favorable. The tert-butylimido ligand can only be partially protonated in the metal pulse. In the sulphur pulse, co-adsorption and dissociation of H2S molecules give rise to the formation and desorption of tert-butylamine. Through the calculated activation energies, the cooperation between H2S molecules ('cooperative' mechanism) is shown to have a profound influence on the formation and desorption of tert-butylamine, which are crucial steps in the initial ALD deposition of 2D-MoS2 on SiO2. The cyclic ALD reactions give rise to the formation of a buffer layer which might have important consequences for the electrical and optical properties on the 2D layer formed in the subsequent homodeposition.

Technical Note: A treatment plan comparison between dynamic collimation and a fixed aperture during spot scanning proton therapy for brain treatment

PubMed Central

Smith, Blake; Gelover, Edgar; Moignier, Alexandra; Wang, Dongxu; Flynn, Ryan T.; Lin, Liyong; Kirk, Maura; Solberg, Tim; Hyer, Daniel E.

2016-01-01

Purpose: To quantitatively assess the advantages of energy-layer specific dynamic collimation system (DCS) versus a per-field fixed aperture for spot scanning proton therapy (SSPT). Methods: Five brain cancer patients previously planned and treated with SSPT were replanned using an in-house treatment planning system capable of modeling collimated and uncollimated proton beamlets. The uncollimated plans, which served as a baseline for comparison, reproduced the target coverage and organ-at-risk sparing of the clinically delivered plans. The collimator opening for the fixed aperture-based plans was determined from the combined cross sections of the target in the beam’s eye view over all energy layers which included an additional margin equivalent to the maximum beamlet displacement for the respective energy of that energy layer. The DCS-based plans were created by selecting appropriate collimator positions for each row of beam spots during a Raster-style scanning pattern which were optimized to maximize the dose contributions to the target and limited the dose delivered to adjacent normal tissue. Results: The reduction of mean dose to normal tissue adjacent to the target, as defined by a 10 mm ring surrounding the target, averaged 13.65% (range: 11.8%–16.9%) and 5.18% (2.9%–7.1%) for the DCS and fixed aperture plans, respectively. The conformity index, as defined by the ratio of the volume of the 50% isodose line to the target volume, yielded an average improvement of 21.35% (19.4%–22.6%) and 8.38% (4.7%–12.0%) for the DCS and fixed aperture plans, respectively. Conclusions: The ability of the DCS to provide collimation to each energy layer yielded better conformity in comparison to fixed aperture plans. PMID:27487886

Thermodynamic Behavior of Nano-sized Gold Clusters on the (001) Surface

NASA Technical Reports Server (NTRS)

Paik, Sun M.; Yoo, Sung M.; Namkung, Min; Wincheski, Russell A.; Bushnell, Dennis M. (Technical Monitor)

2001-01-01

We have studied thermal expansion of the surface layers of the hexagonally reconstructed Au (001) surface using a classical Molecular Dynamics (MD) simulation technique with an Embedded Atomic Method (EAM) type many-body potential. We find that the top-most hexagonal layer contracts as temperature increases, whereas the second layer expands or contracts depending on the system size. The magnitude of expansion coefficient of the top layer is much larger than that of the other layers. The calculated thermal expansion coefficients of the top-most layer are about -4.93 x 10(exp -5)Angstroms/Kelvin for the (262 x 227)Angstrom cluster and -3.05 x 10(exp -5)Angstroms/Kelvin for (101 x 87)Angstrom cluster. The Fast Fourier Transform (FFT) image of the atomic density shows that there exists a rotated domain of the top-most hexagonal cluster with rotation angle close to 1 degree at temperature T less than 1000Kelvin. As the temperature increases this domain undergoes a surface orientational phase transition. These predictions are in good agreement with previous phenomenological theories and experimental studies.

Investigation of boundary layer and turbulence characteristics inside the passages of an axial flow inducer

NASA Technical Reports Server (NTRS)

Anand, A.; Gorton, C.; Lakshminarayana, B.; Yamaoka, H.

1973-01-01

A study of the boundary layer and turbulence characteristics inside the passages of an axial flow inducer is reported. The first part deals with the analytical and experimental investigation of the boundary layer characteristics in a four bladed flat plate inducer passage operated with no throttle. An approximate analysis for the prediction of radial and chordwise velocity profiles across the passage is carried out. The momentum integral technique is used to predict the gross properties of the boundary layer. Equations are given for the exact analysis of the turbulent boundary layer characteristics using the turbulent field method. Detailed measurement of boundary layer profiles, limiting streamline angle and skin friction stress on the rotating blade is also reported. Part two of this report deals with the prediction of the flow as well as blade static pressure measurements in a three bladed inducer with cambered blades operated at a flow coefficient of 0.065. In addition, the mean velocity and turbulence measurements carried out inside the passage using a rotating triaxial probe is reported.

Mixed protonic and electronic conductors hybrid oxide synaptic transistors

NASA Astrophysics Data System (ADS)

Fu, Yang Ming; Zhu, Li Qiang; Wen, Juan; Xiao, Hui; Liu, Rui

2017-05-01

Mixed ionic and electronic conductor hybrid devices have attracted widespread attention in the field of brain-inspired neuromorphic systems. Here, mixed protonic and electronic conductor (MPEC) hybrid indium-tungsten-oxide (IWO) synaptic transistors gated by nanogranular phosphorosilicate glass (PSG) based electrolytes were obtained. Unique field-configurable proton self-modulation behaviors were observed on the MPEC hybrid transistor with extremely strong interfacial electric-double-layer effects. Temporally coupled synaptic plasticities were demonstrated on the MPEC hybrid IWO synaptic transistor, including depolarization/hyperpolarization, synaptic facilitation and depression, facilitation-stead/depression-stead behaviors, spiking rate dependent plasticity, and high-pass/low-pass synaptic filtering behaviors. MPEC hybrid synaptic transistors may find potential applications in neuron-inspired platforms.

A description of electron heating with an electrostatic potential jump in a parallel, collisionless, fire hose shock

NASA Technical Reports Server (NTRS)

Ellison, Donald C.; Jones, Frank C.

1988-01-01

The electron heating required if protons scatter elastically in a parallel, collisionless shock is calculated. Near-elastic proton scattering off large amplitude background magnetic field fluctuations might be expected if the waves responsible for the shock dissipation are generated by the fire hose instability. The effects of an electrostatic potential jump in the shock layer are included by assuming that the energy lost by protons in traversing the potential jump is converted into electron thermal pressure. It is found that the electron temperature increase is a strong function of the potential jump. Comparison is made to the parallel shock plasma simulation of Quest (1987).

Enhancement of magneto-optical Faraday effects and extraordinary optical transmission in a tri-layer structure with rectangular annular arrays.

PubMed

Lei, Chengxin; Chen, Leyi; Tang, Zhixiong; Li, Daoyong; Cheng, Zhenzhi; Tang, Shaolong; Du, Youwei

2016-02-15

The properties of optics and magneto-optical Faraday effects in a metal-dielectric tri-layer structure with subwavelength rectangular annular arrays are investigated. It is noteworthy that we obtained the strongly enhanced Faraday rotation of the desired sign along with high transmittance by optimizing the parameters of the nanostructure in the visible spectral ranges. In this system, we obtained two extraordinary optical transmission (EOT) resonant peaks with enhanced Faraday rotations, whose signs are opposite, which may provide the possibility of designing multi-channel magneto-optical devices. Study results show that the maximum of the figure of merit (FOM) of the structure can be obtained between two EOT resonant peaks accompanied by an enhanced Faraday rotation. The positions of the maximum value of the FOM and resonant peaks of transmission along with a large Faraday rotation can be tailored by simply adjusting the geometric parameters of our models. These research findings are of great importance for future applications of magneto-optical devices.

Hetonic quartets in a two-layer quasi-geostrophic flow: V-states and stability

NASA Astrophysics Data System (ADS)

Reinaud, J. N.; Sokolovskiy, M. A.; Carton, X.

2018-05-01

We investigate families of finite core vortex quartets in mutual equilibrium in a two-layer quasi-geostrophic flow. The finite core solutions stem from known solutions for discrete (singular) vortex quartets. Two vortices lie in the top layer and two vortices lie in the bottom layer. Two vortices have a positive potential vorticity anomaly, while the two others have negative potential vorticity anomaly. The vortex configurations are therefore related to the baroclinic dipoles known in the literature as hetons. Two main branches of solutions exist depending on the arrangement of the vortices: the translating zigzag-shaped hetonic quartets and the rotating zigzag-shaped hetonic quartets. By addressing their linear stability, we show that while the rotating quartets can be unstable over a large range of the parameter space, most translating quartets are stable. This has implications on the longevity of such vortex equilibria in the oceans.

User's manual for three dimensional boundary layer (BL3-D) code

NASA Technical Reports Server (NTRS)

Anderson, O. L.; Caplin, B.

1985-01-01

An assessment has been made of the applicability of a 3-D boundary layer analysis to the calculation of heat transfer, total pressure losses, and streamline flow patterns on the surface of both stationary and rotating turbine passages. In support of this effort, an analysis has been developed to calculate a general nonorthogonal surface coordinate system for arbitrary 3-D surfaces and also to calculate the boundary layer edge conditions for compressible flow using the surface Euler equations and experimental data to calibrate the method, calculations are presented for the pressure endwall, and suction surfaces of a stationary cascade and for the pressure surface of a rotating turbine blade. The results strongly indicate that the 3-D boundary layer analysis can give good predictions of the flow field, loss, and heat transfer on the pressure, suction, and endwall surface of a gas turbine passage.

Raman study of annealed two-dimensional heterostructure of graphene on hexagonal boron nitride

NASA Astrophysics Data System (ADS)

Souibgui, Mourad; Ajlani, Hosni; Cavanna, Antonnella; Oueslati, Meherzi; Meftah, Abdelaziz; Madouri, Ali

2017-12-01

In this paper, we investigate stacked 2D graphene layers on hexagonal boron nitride (h-BN). The graphene is obtained by high-quality chemical vapor deposition (CVD) and transferred to the h-BN substrate. We focus our attention on annealing effect at 1040 °C on single graphene layer (SGL) and bilayer graphene (BLG) on h-BN substrate using Raman spectroscopy. Our results show, before annealing, a twist angle θ = 0.63 ° between the SGL and the h-BN substrate and a twist angle 3 ° <θG1G2 < 8 ° between the two graphene layers of the BLG. After annealing, the analysis of the graphene G and 2D bands show a rotational reorientation of the graphene layer with respect to the h-BN substrate. Raman mapping also shows that the rotational reorientation is spatially dependent.

Adaptive panoramic tomography with a circular rotational movement for the formation of multifocal image layers

NASA Astrophysics Data System (ADS)

Kim, D. S.; Cho, H. S.; Park, Y. O.; Je, U. K.; Hong, D. K.; Choi, S. I.; Koo, Y. S.

2012-02-01

Panoramic radiography with which only structures within a certain image layer are in focus and others out of focus on the panoramic image has become a popular imaging technique especially in dentistry. However, the major drawback to the technique is a mismatch between the structures to be focused and the predefined image layer mainly due to the various shapes and sizes of dental arches and/or to malpositioning of the patient. These result in image quality typically inferior to that obtained using intraoral radiographic techniques. In this paper, to overcome these difficulties, we suggest a new panoramic reconstruction algorithm, the so-called adaptive panoramic tomography ( APT), capable of reconstructing multifocal image layers with no additional exposure. In order to verify the effectiveness of the proposed algorithm, we performed systematic simulation studies with a circular rotational movement and investigated the image performance.

Analysis of ultrasonically rotating droplet using moving particle semi-implicit and distributed point source methods

NASA Astrophysics Data System (ADS)

Wada, Yuji; Yuge, Kohei; Tanaka, Hiroki; Nakamura, Kentaro

2016-07-01

Numerical analysis of the rotation of an ultrasonically levitated droplet with a free surface boundary is discussed. The ultrasonically levitated droplet is often reported to rotate owing to the surface tangential component of acoustic radiation force. To observe the torque from an acoustic wave and clarify the mechanism underlying the phenomena, it is effective to take advantage of numerical simulation using the distributed point source method (DPSM) and moving particle semi-implicit (MPS) method, both of which do not require a calculation grid or mesh. In this paper, the numerical treatment of the viscoacoustic torque, which emerges from the viscous boundary layer and governs the acoustical droplet rotation, is discussed. The Reynolds stress traction force is calculated from the DPSM result using the idea of effective normal particle velocity through the boundary layer and input to the MPS surface particles. A droplet levitated in an acoustic chamber is simulated using the proposed calculation method. The droplet is vertically supported by a plane standing wave from an ultrasonic driver and subjected to a rotating sound field excited by two acoustic sources on the side wall with different phases. The rotation of the droplet is successfully reproduced numerically and its acceleration is discussed and compared with those in the literature.

The rotation of cellulose synthase trajectories is microtubule dependent and influences the texture of epidermal cell walls in Arabidopsis hypocotyls.

PubMed

Chan, Jordi; Crowell, Elizabeth; Eder, Magdalena; Calder, Grant; Bunnewell, Susan; Findlay, Kim; Vernhettes, Samantha; Höfte, Herman; Lloyd, Clive

2010-10-15

Plant shoots have thick, polylamellate outer epidermal walls based on crossed layers of cellulose microfibrils, but the involvement of microtubules in such wall lamellation is unclear. Recently, using a long-term movie system in which Arabidopsis seedlings were grown in a biochamber, the tracks along which cortical microtubules move were shown to undergo slow rotary movements over the outer surface of hypocotyl epidermal cells. Because microtubules are known to guide cellulose synthases over the short term, we hypothesised that this previously unsuspected microtubule rotation could, over the longer term, help explain the cross-ply structure of the outer epidermal wall. Here, we test that hypothesis using Arabidopsis plants expressing the cellulose synthase GFP-CESA3 and show that cellulose synthase trajectories do rotate over several hours. Neither microtubule-stabilising taxol nor microtubule-depolymerising oryzalin affected the linear rate of GFP-CESA3 movement, but both stopped the rotation of cellulose synthase tracks. Transmission electron microscopy revealed that drug-induced suppression of rotation alters the lamellation pattern, resulting in a thick monotonous wall layer. We conclude that microtubule rotation, rather than any hypothetical mechanism for wall self-assembly, has an essential role in developing cross-ply wall texture.

Spectroscopic, DFT, and XRD Studies of Hydrogen Bonds in N-Unsubstituted 2-Aminobenzamides.

PubMed

Mphahlele, Malose Jack; Maluleka, Marole Maria; Rhyman, Lydia; Ramasami, Ponnadurai; Mampa, Richard Mokome

2017-01-04

The structures of the mono- and the dihalogenated N -unsubstituted 2-aminobenzamides were characterized by means of the spectroscopic (¹H-NMR, UV-Vis, FT-IR, and FT-Raman) and X-ray crystallographic techniques complemented with a density functional theory (DFT) method. The hindered rotation of the C(O)-NH₂ single bond resulted in non-equivalence of the amide protons and therefore two distinct resonances of different chemical shift values in the ¹H-NMR spectra of these compounds were observed. 2-Amino-5-bromobenzamide ( ABB ) as a model confirmed the presence of strong intramolecular hydrogen bonds between oxygen and the amine hydrogen. However, intramolecular hydrogen bonding between the carbonyl oxygen and the amine protons was not observed in the solution phase due to a rapid exchange of these two protons with the solvent and fast rotation of the Ar-NH₂ single bond. XRD also revealed the ability of the amide unit of these compounds to function as a hydrogen bond donor and acceptor simultaneously to form strong intermolecular hydrogen bonding between oxygen of one molecule and the NH moiety of the amine or amide group of the other molecule and between the amine nitrogen and the amide hydrogen of different molecules. DFT calculations using the B3LYP/6-311++G(d,p) basis set revealed that the conformer ( A ) with oxygen and 2-amine on the same side predominates possibly due to the formation of a six-membered intramolecular ring, which is assisted by hydrogen bonding as observed in the single crystal XRD structure.

Multi-layered proton-conducting electrolyte

DOEpatents

Lee, Tae H.; Dorris, Stephen E.; Balachandran, Uthamalingam

2017-06-27

The present invention provides a multilayer anode/electrolyte assembly comprising a porous anode substrate and a layered solid electrolyte in contact therewith. The layered solid electrolyte includes a first dense layer of yttrium-doped barium zirconate (BZY), optionally including another metal besides Y, Ba, and Zr (e.g., a lanthanide metal such as Pr) on one surface thereof, a second dense layer of yttrium-doped barium cerate (BCY), and an interfacial layer between and contacting the BZY and BCY layers. The interfacial layer comprises a solid solution of the BZY and BCY electrolytes. The porous anode substrate comprises at least one porous ceramic material that is stable to carbon dioxide and water (e.g., porous BZY), as well as an electrically conductive metal and/or metal oxide (e.g., Ni, NiO, and the like).

Three-Fluid Magnetohydrodynamic Modeling of the Solar Wind in the Outer Heliosphere

NASA Technical Reports Server (NTRS)

Usmanov, Arcadi V.; Goldstein, Melvyn L.; Matthaeus, William H.

2011-01-01

We have developed a three-fluid, fully three-dimensional magnetohydrodynamic model of the solar wind plasma in the outer heliosphere as a co-moving system of solar wind protons, electrons, and interstellar pickup protons, with separate energy equations for each species. Our approach takes into account the effects of electron heat conduction and dissipation of Alfvenic turbulence on the spatial evolution of the solar wind plasma and interplanetary magnetic fields. The turbulence transport model is based on the Reynolds decomposition of physical variables into mean and fluctuating components and uses the turbulent phenomenologies that describe the conversion of fluctuation energy into heat due to a turbulent cascade. We solve the coupled set of the three-fluid equations for the mean-field solar wind and the turbulence equations for the turbulence energy, cross helicity, and correlation length. The equations are written in the rotating frame of reference and include heating by turbulent dissipation, energy transfer from interstellar pickup protons to solar wind protons, and solar wind deceleration due to the interaction with the interstellar hydrogen. The numerical solution is constructed by the time relaxation method in the region from 0.3 to 100 AU. Initial results from the novel model are presented.

New experimental developments for s- and p-process research

NASA Astrophysics Data System (ADS)

Reifarth, R.; Ershova, O.; Glorius, J.; Göbel, K.; Langer, C.; Meusel, O.; Plag, R.; Schmidt, S.; Sonnabend, K.; Heil, M.

2012-12-01

Almost all of the heavy elements are produced via neutron-induced processes in a multitude of stellar production sites. The remaining minor part is produced via photon- and proton-induced reactions. The predictive power of the underlying stellar models is currently limited because they contain poorly constrained physics components such as convection, rotation or magnetic fields. An important tool to determine such components is the comparison of observed with modeled abundance distributions based on improved nuclear physics input. The FRANZ facility at the Goethe University Frankfurt, which is currently under construction will provide unprecedented neutron fluxes and proton currents available for nuclear astrophysics. It will be possible to investigate important branchpoint nuclei of the s-process nucleosynthesis path and proton-induced reactions important for p-process modeling. At the GSI close to Darmstadt radioactive isotopes can be investigated in inverse kinematics. This allows experiments such as proton-induced cross section measurements using a heavy-ion storage ring or measurements of gamma-induced reactions using the Coulomb dissociation method. The future FAIR facility will allow similar experiments on very exotic nuclei, since orders of magnitude higher radioactive ions beams will be possible.

Self-diffusion of protons in H{sub 2}O ice VII at high pressures: Anomaly around 10 GPa

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noguchi, Naoki, E-mail: noguchi-n@okayama-u.ac.jp; Okuchi, Takuo

2016-06-21

The self-diffusion of ice VII in the pressure range of 5.5–17 GPa and temperature range of 400–425 K was studied using micro Raman spectroscopy and a diamond anvil cell. The diffusion was monitored by observing the distribution of isotope tracers: D{sub 2}O and H{sub 2}{sup 18}O. The diffusion coefficient of hydrogen reached a maximum value around 10 GPa. It was two orders of magnitude greater at 10 GPa than at 6 GPa. Hydrogen diffusion was much faster than oxygen diffusion, which indicates that protonic diffusion is the dominant mechanism for the diffusion of hydrogen in ice VII. This mechanism ismore » in remarkable contrast to the self-diffusion in ice I{sub h} that is dominated by an interstitial mechanism for the whole water molecule. An anomaly around 10 GPa in ice VII indicates that the rate-determining process for the proton diffusion changes from the diffusion of ionic defects to the diffusion of rotational defects, which was suggested by proton conductivity measurements and molecular dynamics simulations.« less

Muon motion in titanium hydride

NASA Technical Reports Server (NTRS)

Kempton, J. R.; Petzinger, K. G.; Kossler, W. J.; Schone, H. E.; Hitti, B. S.; Stronach, C. E.; Adu, N.; Lankford, W. F.; Reilly, J. J.; Seymour, E. F. W.

1988-01-01

Motional narrowing of the transverse-field muon spin rotation signal was observed in gamma-TiH(x) for x = 1.83, 1.97, and 1.99. An analysis of the data for TiH1.99 near room temperature indicates that the mechanism responsible for the motion of the muon out of the octahedral site is thermally activated diffusion with an attempt frequency comparable to the optical vibrations of the lattice. Monte Carlo calculations to simulate the effect of muon and proton motion upon the muon field-correlation time were used to interpret the motional narrowing in TiH1.97 near 500 K. The interpretation is dependent upon whether the Bloembergen, Purcell, and Pound (BPP) theory or an independent spin-pair relaxation model is used to obtain the vacancy jump rate from proton NMR T1 measurements. Use of BPP theory shows that the field-correction time can be obtained if the rate of motion of the muon with respect to the rate of the motion for the protons is decreased. An independent spin-pair relaxation model indicates that the field-correlation time can be obtained if the rate of motion for the nearest-neighbor protons is decreased.

Polarization Rotation in Ferroelectric Tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 Superlattices.

PubMed

Lemée, Nathalie; Infante, Ingrid C; Hubault, Cécile; Boulle, Alexandre; Blanc, Nils; Boudet, Nathalie; Demange, Valérie; Karkut, Michael G

2015-09-16

In ferroelectric thin films, controlling the orientation of the polarization is a key element to controlling their physical properties. We use laboratory and synchrotron X-ray diffraction to investigate ferroelectric bicolor PbTiO3/PbZr0.2Ti0.8O3 and tricolor PbTiO3/SrTiO3/PbZr0.2Ti0.8O3 superlattices and to study the role of the SrTiO3 layers on the domain structure. In the tricolor superlattices, we demonstrate the existence of 180° ferroelectric stripe nanodomains, induced by the depolarization field produced by the SrTiO3 layers. Each ultrathin SrTiO3 layer modifies the electrostatic boundary conditions between the ferroelectric layers compared to the corresponding bicolor structures, leading to the suppression of the a/c polydomain states. Combined with the electrostatic effect, the tensile strain induced by PbZr0.2Ti0.8O3 in the PbTiO3 layers leads to polarization rotation in the system as evidenced by grazing incidence X-ray measurements. This polarization rotation is associated with the monoclinic Mc phase as revealed by the splitting of the (HHL) and (H0L) reciprocal lattice points. This work demonstrates that the tricolor paraelectric/ferroelectric superlattices constitute a tunable system to investigate the concomitant effects of strains and depolarizing fields. Our studies provide a pathway to stabilize a monoclinic symmetry in ferroelectric layers, which is of particular interest for the enhancement of the piezoelectric properties.

Light controlled 3D micromotors powered by bacteria

NASA Astrophysics Data System (ADS)

Vizsnyiczai, Gaszton; Frangipane, Giacomo; Maggi, Claudio; Saglimbeni, Filippo; Bianchi, Silvio; di Leonardo, Roberto

2017-06-01

Self-propelled bacteria can be integrated into synthetic micromachines and act as biological propellers. So far, proposed designs suffer from low reproducibility, large noise levels or lack of tunability. Here we demonstrate that fast, reliable and tunable bio-hybrid micromotors can be obtained by the self-assembly of synthetic structures with genetically engineered biological propellers. The synthetic components consist of 3D interconnected structures having a rotating unit that can capture individual bacteria into an array of microchambers so that cells contribute maximally to the applied torque. Bacterial cells are smooth swimmers expressing a light-driven proton pump that allows to optically control their swimming speed. Using a spatial light modulator, we can address individual motors with tunable light intensities allowing the dynamic control of their rotational speeds. Applying a real-time feedback control loop, we can also command a set of micromotors to rotate in unison with a prescribed angular speed.

Light controlled 3D micromotors powered by bacteria

PubMed Central

Vizsnyiczai, Gaszton; Frangipane, Giacomo; Maggi, Claudio; Saglimbeni, Filippo; Bianchi, Silvio; Di Leonardo, Roberto

2017-01-01

Self-propelled bacteria can be integrated into synthetic micromachines and act as biological propellers. So far, proposed designs suffer from low reproducibility, large noise levels or lack of tunability. Here we demonstrate that fast, reliable and tunable bio-hybrid micromotors can be obtained by the self-assembly of synthetic structures with genetically engineered biological propellers. The synthetic components consist of 3D interconnected structures having a rotating unit that can capture individual bacteria into an array of microchambers so that cells contribute maximally to the applied torque. Bacterial cells are smooth swimmers expressing a light-driven proton pump that allows to optically control their swimming speed. Using a spatial light modulator, we can address individual motors with tunable light intensities allowing the dynamic control of their rotational speeds. Applying a real-time feedback control loop, we can also command a set of micromotors to rotate in unison with a prescribed angular speed. PMID:28656975

Double-spiral magnetic structure of the Fe/Cr multilayer revealed by nuclear resonance reflectivity

NASA Astrophysics Data System (ADS)

Andreeva, M. A.; Baulin, R. A.; Chumakov, A. I.; Rüffer, R.; Smirnov, G. V.; Babanov, Y. A.; Devyaterikov, D. I.; Milyaev, M. A.; Ponomarev, D. A.; Romashev, L. N.; Ustinov, V. V.

2018-01-01

We have studied the magnetization depth profiles in a [57Fe (dFe) /Cr (dCr) ]30 multilayer with ultrathin Fe layers and nominal thickness of the chromium spacers dCr≈2.0 nm using nuclear resonance scattering of synchrotron radiation. The presence of a broad pure-magnetic half-order (1/2) Bragg reflection has been detected at zero external field. The joint fit of the reflectivity curves and Mössbauer spectra of reflectivity measured near the critical angle and at the "magnetic" peak reveals that the magnetic structure of the multilayer is formed by two spirals, one in the odd and another one in the even iron layers, with the opposite signs of rotation. The double-spiral structure starts from the surface with the almost-antiferromagnetic alignment of the adjacent Fe layers. The rotation of the two spirals leads to nearly ferromagnetic alignment of the two magnetic subsystems at some depth, where the sudden turn of the magnetic vectors by ˜180∘ (spin flop) appears, and both spirals start to rotate in opposite directions. The observation of this unusual double-spiral magnetic structure suggests that the unique properties of giant magnetoresistance devices can be further tailored using ultrathin magnetic layers.

Routes to turbulence in the rotating disk boundary-layer of a rotor-stator cavity

NASA Astrophysics Data System (ADS)

Yim, Eunok; Serre, Eric; Martinand, Denis; Chomaz, Jean-Marc

2016-11-01

The rotating disk is an important classical problem, due to the similarities between the 3D boundary layers on a disk and a swept aircraft wing. It is nowadays admitted that a direct transition to turbulence may exist through a steep-fronted nonlinear global mode located at the boundary between the locally connectively and absolutely unstable regions (Pier 2003; Viaud et al. 2008, 2011; Imayama et al. 2014 and others). However, recent studies (Healey 2010; Harris et al. 2012; Imayama et al. 2013) suggest that there may be an alternative route starting at lower critical Reynolds number, based on convective travelling waves but this scenario is still not fully validated and proven. To better characterize such transition, direct numerical simulations are performed in a closed cylindrical rotor-stator cavity (without hub) up to Re = O (105) . All boundaries are no slip and for the stable region around the rotation axis prevents the disturbances coming from the very unstable stator boundary to disturb the rotor boundary layer. Different transition scenarii to turbulence are investigated when the rotor boundary layer is forced at different positions and forcing amplitude. The associated dynamics of coherent structures in various flow regions are also investigated when increasing Re .

Influence of Beam Rotation on the Response of Cantilevered Flow Energy Harvesters Exploiting the Galloping Instability

NASA Astrophysics Data System (ADS)

Noel, James H.

Energy harvesters are scalable devices that generate microwatt to milliwatt power levels by scavenging energy from their ambient natural environment. Applications of such devices are numerous, ranging from wireless sensing to biomedical implants. A particular type of energy harvester is a device which converts the momentum of an incident fluid flow into electrical output by using flow-induced instabilities such as galloping, flutter, vortex shedding and wake galloping. Galloping flow energy harvesters (GFEHs), which represent the core of this thesis, consist of a prismatic tip body mounted on a long, thin cantilever beam fixed on a rigid base. When the bluff body is placed such that its leading edge faces a moving fluid, the flow separates at the edges of the leading face causing shear layers to develop behind the bluff face. The shear layer interacts with the surface area of the afterbody. An asymmetric condition in the shear layers causes a net lift which incites motion. This causes the beam to oscillate periodically at or near the natural frequency of the system. The periodic strain developed near the base of the oscillating beam is then transformed into electricity by attaching a piezoelectric layer to either side of the beam surface. This thesis focuses on characterizing the influence of the rotation of the beam tip on the response and output power of GFEHs. Previous modeling efforts of GFEHs usually adopt two simplifying assumptions. First, it is assumed that the tip rotation of the beam is arbitrarily small and hence can be neglected. Second, it is assumed that the quasi-steady assumption of the aerodynamic force can be adopted even in the presence of tip rotation. Although the validity of these two assumptions becomes debatable in the presence of finite tip rotations, which are common to occur in GFEHs, none the previous research studies have systematically addressed the influence of finite tip rotations on the validity of the quasi-steady assumption and the response of cantilevered flow energy harvesters. To this end, the first objective of this thesis is to investigate the influence of the tip rotation on the output power of energy harvesters under the quasi-steady assumption. It is shown that neglecting the tip rotation will cause significant over-prediction of the output power even for small tip rotations. This thesis further assesses the validity of the quasi-steady assumption of the aerodynamic force in the presence of tip rotations using extensive experiments. It is shown that the quasi-steady model fails to accurately predict the behavior of square and trapezoidal prisms mounted on a cantilever beam and undergoing galloping oscillations. In particular, it is shown that the quasi-steady model under-predicts the amplitude of oscillation because it fails to consider the effect of body rotation. Careful analysis of the experimental data indicates that, unlike the quasi-steady aerodynamic lift force which depends only on the angle of attack, the effective aerodynamic curve is a function of both the angle of attack and the upstream flow velocity when the effects of body rotation are included. Nonetheless, although the quasi-steady assumption fails, the remarkable result is that the overall structure of the aerodynamic model remains intact, permitting the use of aerodynamic force surfaces to capture the influence of tip rotation. The second objective of this thesis is to present an approach to optimize the geometry of the bluff body to improve the performance of flow energy harvesters. It is shown that attaching a splitter plate to the afterbody of the prism can improve the output power of the device by as much as 60% for some cases. By increasing the reattachment angle of the shear layer and producing additional flow recirculation bubbles, the extension of the body using the splitter plate increases the useful range of the galloping instability for energy harvesting.

Design and performance of the spin asymmetries of the nucleon experiment

DOE PAGES

Maxwell, J. D.; Armstrong, W. R.; Choi, S.; ...

2018-03-01

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2.5 < Q 2 < 6.5 GeV 2 and Bjorken scaling 0.3 < x < 0.8 from initial beam energies of 4.7 and 5.9 GeV. Employing a polarized proton target which could be rotated with respect to the incident electron beam, both parallel and near perpendicular spin asymmetries were measured, allowing model-independent access to transverse polarization observables A 1, A 2, g 1, gmore » 2 and moment d 2 of the proton. This article summarizes the operation and performance of the polarized target, polarized electron beam, and novel detector systems used during the course of the experiment, and describes analysis techniques utilized to access the physics observables of interest.« less

Proton induced activity in graphite - comparison between measurement and simulation

NASA Astrophysics Data System (ADS)

Kiselev, Daniela; Bergmann, Ryan; Schumann, Dorothea; Talanov, Vadim; Wohlmuther, Michael

2018-06-01

The Paul Scherrer Institut (PSI) operates the Meson production target stations E and M with 590 MeV protons at currents of up to 2.4 mA. Both targets consist of polycrystalline graphite and rotate with 1 Hz due to the high power deposition (40 kW at 2 mA) in Target E. The graphite wheel is regularly exchanged and disposed as radioactive waste after a maximum of 3 to 4 years in operation, which corresponds to about 30 to 40 Ah of proton fluence. For disposal, the nuclide inventory of the long-lived isotopes (T1/2 > 60 d) has to be calculated and reported to the authorities. Measurements of gamma emitters, as well as 3H, 10Be and 14C, were carried out using different techniques. The measured specific activities are compared to Monte Carlo particle transport simulations performed with MCNPX2.7.0 using the BERTINI-DRESNER-RAL (default model in MCNPX2.7.0) and INCL4.6/ABLA07 as nuclear reaction models.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Callear, Samantha K.; Imberti, Silvia; Johnston, Andrew

The aqueous solution of dopamine hydrochloride has been investigated using neutron and X-ray total scattering data together with Monte-Carlo based modelling using Empirical Potential Structure Refinement. The conformation of the protonated dopamine molecule is presented and the results compared to the conformations found in crystal structures, dopamine-complexed protein crystal structures and predicted from theoretical calculations and pharmacophoric models. It is found that protonated dopamine adopts a range of conformations in solution, highlighting the low rotational energy barrier between different conformations, with the preferred conformation being trans-perpendicular. The interactions between each of the species present (protonated dopamine molecules, water molecules, andmore » chloride anions) have been determined and are discussed with reference to interactions observed in similar systems both in the liquid and crystalline state, and predicted from theoretical calculations. The expected strong hydrogen bonds between the strong hydrogen bond donors and acceptors are observed, together with evidence of weaker CH hydrogen bonds and π interactions also playing a significant role in determining the arrangement of adjacent molecules.« less

Emission switching of 4,6-diphenylpyrimidones: solvent and solid state effects.

PubMed

Adjaye-Mensah, Edward; Gonzalez, Walter G; Bussé, David R; Captain, Burjor; Miksovska, Jaroslava; Wilson, James N

2012-08-30

The photophysics of 1-ethyl-4,6-bis(4-methoxyphenyl)-2(1H)-pyrimidone (1) and 1-ethyl-4,6-bis(4-(dimethylamino)phenyl)-2(1H)-pyrimidone (2) were investigated to determine the mechanisms of emission switching in response to protonation. UV-vis and steady state emission spectroscopy of the protonated and unprotonated forms across a range of solvents reveal the polarity dependence of the vertical excitation energies. Emission lifetimes and quantum yields show the solvent dependency of the excited states. Emission enhancements were observed in polyethylene glycol solutions and in the solid state (both thin film and single crystal), demonstrating the role of intramolecular rotation in thermal relaxation of the excited states. TD-DFT calculations provide insights into the excited state geometries and the role of intramolecular charge transfer. The collected data show that emission of diphenylpyrimidones can be modulated by four factors, including the identity of the electron-donating auxochrome, protonation state, solvent polarity, and viscosity.

Magnetospheric access of solar particles and the configuration of the distant geomagnetic field, volume 1. Ph.D. Thesis

NASA Technical Reports Server (NTRS)

Evans, L. C.

1972-01-01

The access of 1.2 to 40 MeV protons and 0.4 to 1.0 MeV electrons from interplanetary space to the polar cap regions was investigated with an experiment on board a low altitude, polar-orbiting satellite (0G0 4). A total of 333 quiet time observations of the electron polar cap boundary give a mapping of the boundary between open and closed geomagnetic field lines. Observations of events associated with co-rotating regions of enhanced proton flux in interplanetary space were used to establish the characteristics of the 1.2 to 40 MeV proton access windows. The results were compared to particle access predictions of the distant geomagnetic tail configurations. The role played by interplanetary anisotropies in the observation of persistent polar cap features is discussed. Special emphasis is given to the problem of nonadiabatic particle entry through regions where the magnetic field is changing direction.

Design and performance of the spin asymmetries of the nucleon experiment

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maxwell, J. D.; Armstrong, W. R.; Choi, S.

The Spin Asymmetries of the Nucleon Experiment (SANE) performed inclusive, double-polarized electron scattering measurements of the proton at the Continuous Electron Beam Facility at Jefferson Lab. A novel detector array observed scattered electrons of four-momentum transfer 2.5 < Q 2 < 6.5 GeV 2 and Bjorken scaling 0.3 < x < 0.8 from initial beam energies of 4.7 and 5.9 GeV. Employing a polarized proton target which could be rotated with respect to the incident electron beam, both parallel and near perpendicular spin asymmetries were measured, allowing model-independent access to transverse polarization observables A 1, A 2, g 1, gmore » 2 and moment d 2 of the proton. This article summarizes the operation and performance of the polarized target, polarized electron beam, and novel detector systems used during the course of the experiment, and describes analysis techniques utilized to access the physics observables of interest.« less

Inhibition of F1-ATPase rotational catalysis by the carboxyl-terminal domain of the ϵ subunit.

PubMed

Nakanishi-Matsui, Mayumi; Sekiya, Mizuki; Yano, Shio; Futai, Masamitsu

2014-10-31

Escherichia coli ATP synthase (F0F1) couples catalysis and proton transport through subunit rotation. The ϵ subunit, an endogenous inhibitor, lowers F1-ATPase activity by decreasing the rotation speed and extending the duration of the inhibited state (Sekiya, M., Hosokawa, H., Nakanishi-Matsui, M., Al-Shawi, M. K., Nakamoto, R. K., and Futai, M. (2010) Single molecule behavior of inhibited and active states of Escherichia coli ATP synthase F1 rotation. J. Biol. Chem. 285, 42058-42067). In this study, we constructed a series of ϵ subunits truncated successively from the carboxyl-terminal domain (helix 1/loop 2/helix 2) and examined their effects on rotational catalysis (ATPase activity, average rotation rate, and duration of inhibited state). As expected, the ϵ subunit lacking helix 2 caused about ½-fold reduced inhibition, and that without loop 2/helix 2 or helix 1/loop 2/helix 2 showed a further reduced effect. Substitution of ϵSer(108) in loop 2 and ϵTyr(114) in helix 2, which possibly interact with the β and γ subunits, respectively, decreased the inhibitory effect. These results suggest that the carboxyl-terminal domain of the ϵ subunit plays a pivotal role in the inhibition of F1 rotation through interaction with other subunits. © 2014 by The American Society for Biochemistry and Molecular Biology, Inc.

Laminar boundary layer near the rotating end wall of a confined vortex

NASA Astrophysics Data System (ADS)

Shakespeare, W. J.; Levy, E. K.

1982-06-01

The results of an experimental and theoretical investigation of the fluid mechanics in a confined vortex are discussed with particular emphasis on behavior away from the axis of symmetry and near the end walls. The vortex is generated in a rotating cylindrical chamber with an exit opening in one end. Both end walls rotate. For the range of flow rates and swirl ratios (S between 1 and 5) of interest here, the flow field far from the end walls behaves as inviscid and irrotational; and the end wall boundary layers are thin and laminar. Measurements and calculations of tangential and radial velocity in the end wall region show the development of a secondary flow resulting in a strong velocity 'overshoot' in the radial component. Results illustrating the nature of the velocity variations on the end walls are presented; and it is shown that the mass flow rate through the end wall boundary layers, while only a small fraction of the total flow, increases with increasing swirl and with decreasing total flow rate through the chamber.

Buckling delamination of the circular sandwich plate with piezoelectric face and elastic core layers under rotationally symmetric external pressure

NASA Astrophysics Data System (ADS)

Akbarov, Surkay D.; Cafarova, Fazile I.; Yahnioglu, Nazmiye

2017-02-01

The axisymmetric buckling delamination of the piezoelectric circular sandwich plate with piezoelectric face and elastic (metal) core layers around the interface penny-shaped cracks is investigated. The case is considered where short-circuit conditions with respect to the electrical potential on the upper and lower and also lateral surfaces of face layers are satisfied. It is assumed that the edge surfaces of the cracks have an infinitesimal rotationally symmetric initial imperfection and the development of this imperfection with rotationally symmetric compressive forces acting on the lateral surface of the plate is studied by employing the exact geometrically non-linear field equations and relations of electro-elasticity for piezoelectric materials. Solution to the considered nonlinear problem is reduced to solution of the series boundary value problems derived by applying the linearization procedure with respect to small imperfection of the sought values. Numerical results reveal the effect of piezoelectricity as well as geometrical and material parameters on the critical values are determined numerically by employing finite element method (FEM).

Proton and hydrogen transport through two-dimensional monolayers

NASA Astrophysics Data System (ADS)

Seel, Max; Pandey, Ravindra

2016-06-01

Diffusion of protons and hydrogen atoms in representative two-dimensional materials is investigated. Specifically, density functional calculations were performed on graphene, hexagonal boron nitride (h-BN), phosphorene, silicene, and molybdenum disulfide (MoS2) monolayers to study the surface interaction and penetration barriers for protons and hydrogen atoms employing finite cluster models. The calculated barrier heights correlate approximately with the size of the opening formed by the three-fold open sites in the monolayers considered. They range from 1.56 eV (proton) and 4.61 eV (H) for graphene to 0.12 eV (proton) and 0.20 eV (H) for silicene. The results indicate that only graphene and h-BN monolayers have the potential for membranes with high selective permeability. The MoS2 monolayer behaves differently: protons and H atoms become trapped between the outer S layers in the Mo plane in a well with a depth of 1.56 eV (proton) and 1.5 eV (H atom), possibly explaining why no proton transport was detected, suggesting MoS2 as a hydrogen storage material instead. For graphene and h-BN, off-center proton penetration reduces the barrier to 1.38 eV for graphene and 0.11 eV for h-BN. Furthermore, Pt acting as a substrate was found to have a negligible effect on the barrier height. In defective graphene, the smallest barrier for proton diffusion (1.05 eV) is found for an oxygen-terminated defect. Therefore, it seems more likely that thermal protons can penetrate a monolayer of h-BN but not graphene and defects are necessary to facilitate the proton transport in graphene.

Hydrogen-Bonded Network and Water Dynamics in the D-channel of Cytochrome c Oxidase.

PubMed

Ghane, Tahereh; Gorriz, Rene F; Wrzalek, Sandro; Volkenandt, Senta; Dalatieh, Ferand; Reidelbach, Marco; Imhof, Petra

2018-02-12

Proton transfer in cytochrome c oxidase (CcO) from the cellular inside to the binuclear redox centre as well as proton pumping through the membrane takes place through proton entrance via two distinct pathways, the D- and K-channel. Both channels show a dependence of their hydration level on the protonation states of their key residues, K362 for the K-channel, and E286 or D132 for the D-channel. In the oxidative half of CcO's catalytic cycle the D-channel is the proton-conducting path. For this channel, an interplay of protonation state of the D-channel residues with the water and hydrogen-bond dynamics has been observed in molecular dynamics simulations of the CcO protein, embedded in a lipid bi-layer, modelled in different protonation states. Protonation of residue E286 at the end of the D-channel results in a hydrogen-bonded network pointing from E286 to N139, that is against proton transport, and favouring N139 conformations which correspond to a closed asparagine gate (formed by residues N121 and N139). Consequently, the hydration level is lower than with unprotonated E286. In those models, the Asn gate is predominantly open, allowing water molecules to pass and thus increase the hydration level. The hydrogen-bonded network in these states exhibits longer life times of the Asn residues with water than other models and shows the D-channel to be traversable from the entrance, D132, to exit, E286. The D-channel can thus be regarded as auto-regulated with respect to proton transport, allowing proton passage only when required, that is the proton is located at the lower part of the D-channel (D132 to Asn gate) and not at the exit (E286).

Apparatus For Laminating Segmented Core For Electric Machine

DOEpatents

Lawrence, Robert Anthony; Stabel, Gerald R

2003-06-17

A segmented core for an electric machine includes segments stamped from coated electric steel. The segments each have a first end, a second end, and winding openings. A predetermined number of segments are placed end-to-end to form layers. The layers are stacked such that each of the layers is staggered from adjacent layers by a predetermined rotation angle. The winding openings of each of the layers are in vertical alignment with the winding openings of the adjacent layers. The stack of layers is secured to form the segmented core.

New electrocatalysts for unitized regenerative fuel cell: Pt-Ir alloy deposited on the proton exchange membrane surface by impregnation-reduction method.

PubMed

Wan, Chieh-Hao; Wu, Chun-Lin; Lin, Meng-Tsun; Shih, Chihhsiong

2010-07-01

In this paper, a modified technique to prepare Pt-Ir catalyst layer on the proton exchange membrane (PEM) surface using the impregnation-reduction (IR) method is proposed to improve the electrocatalytic activity as well as the life cycle of the bifunctional oxygen electrode (BOE). The resulted electrocatalysts were characterized by the Scanning Electron Microscopy (SEM), X-ray Diffraction (XRD), Electron Probe Micro-Analysis (EPMA), and Transmission Electron Microscope (TEM). The electrocatalytic properties of the Pt-Ir layer on PEM surface for the oxygen reduction and water oxidation reactions as well as the life cycle of MEA were investigated. Experimental results showed that the Ir particles were dispersed densely in the platinum layer through the modified IR technique. The atomic ratio of Pt over Ir elements was 9:1, and the resulted thickness of the obtained Pt-Ir catalyst layer was about 1.0 microm. The Pt-Ir catalyst layer was composed of Pt layer doped with Ir nano-particles comprising nano Pt-Ir alloy phase. The large surface area of Ir core with Pt shell particles and the presence of nano Pt-Ir alloy phase led to a higher electrocatalytic activity of BOE. Due to the good binding between the Nafion membrane and the Pt-Ir alloy catalyst, as well as the composite structure of the resulted Pt-Ir, the life cycle of Unitized Regenerative Fuel Cell (URFC) is improved through this novel BOE.

Simultaneous monitoring of the two coupled motors of a single FoF1-ATP synthase by three-color FRET using duty cycle-optimized triple-ALEX

NASA Astrophysics Data System (ADS)

Zarrabi, N.; Ernst, S.; Düser, M. G.; Golovina-Leiker, A.; Becker, W.; Erdmann, R.; Dunn, S. D.; Börsch, M.

2009-02-01

FoF1-ATP synthase is the enzyme that provides the 'chemical energy currency' adenosine triphosphate, ATP, for living cells. The formation of ATP is accomplished by a stepwise internal rotation of subunits within the enzyme. Briefly, proton translocation through the membrane-bound Fo part of ATP synthase drives a 10-step rotary motion of the ring of c subunits with respect to the non-rotating subunits a and b. This rotation is transmitted to the γ and ɛ subunits of the F1 sector resulting in 120° steps. In order to unravel this symmetry mismatch we monitor subunit rotation by a single-molecule fluorescence resonance energy transfer (FRET) approach using three fluorophores specifically attached to the enzyme: one attached to the F1 motor, another one to the Fo motor, and the third one to a non-rotating subunit. To reduce photophysical artifacts due to spectral fluctuations of the single fluorophores, a duty cycle-optimized alternating three-laser scheme (DCO-ALEX) has been developed. Simultaneous observation of the stepsizes for both motors allows the detection of reversible elastic deformations between the rotor parts of Fo and F1.

Monitoring transient elastic energy storage within the rotary motors of single FoF1-ATP synthase by DCO-ALEX FRET

NASA Astrophysics Data System (ADS)

Ernst, Stefan; Düser, Monika G.; Zarrabi, Nawid; Börsch, Michael

2012-03-01

The enzyme FoF1-ATP synthase provides the 'chemical energy currency' adenosine triphosphate (ATP) for living cells. Catalysis is driven by mechanochemical coupling of subunit rotation within the enzyme with conformational changes in the three ATP binding sites. Proton translocation through the membrane-bound Fo part of ATP synthase powers a 10-step rotary motion of the ring of c subunits. This rotation is transmitted to the γ and ɛ subunits of the F1 part. Because γ and ɛ subunits rotate in 120° steps, we aim to unravel this symmetry mismatch by real time monitoring subunit rotation using single-molecule Förster resonance energy transfer (FRET). One fluorophore is attached specifically to the F1 motor, another one to the Fo motor of the liposome-reconstituted enzyme. Photophysical artifacts due to spectral fluctuations of the single fluorophores are minimized by a previously developed duty cycle-optimized alternating laser excitation scheme (DCO-ALEX). We report the detection of reversible elastic deformations between the rotor parts of Fo and F1 and estimate the maximum angular displacement during the load-free rotation using Monte Carlo simulations.

Investigation of time-resolved proton radiography using x-ray flat-panel imaging system

NASA Astrophysics Data System (ADS)

Jee, K.-W.; Zhang, R.; Bentefour, E. H.; Doolan, P. J.; Cascio, E.; Sharp, G.; Flanz, J.; Lu, H.-M.

2017-03-01

Proton beam therapy benefits from the Bragg peak and delivers highly conformal dose distributions. However, the location of the end-of-range is subject to uncertainties related to the accuracy of the relative proton stopping power estimates and thereby the water-equivalent path length (WEPL) along the beam. To remedy the range uncertainty, an in vivo measurement of the WEPL through the patient, i.e. a proton-range radiograph, is highly desirable. Towards that goal, we have explored a novel method of proton radiography based on the time-resolved dose measured by a flat panel imager (FPI). A 226 MeV pencil beam and a custom-designed range modulator wheel (MW) were used to create a time-varying broad beam. The proton imaging technique used exploits this time dependency by looking at the dose rate at the imager as a function of time. This dose rate function (DRF) has a unique time-varying dose pattern at each depth of penetration. A relatively slow rotation of the MW (0.2 revolutions per second) and a fast image acquisition (30 frames per second, ~33 ms sampling) provided a sufficient temporal resolution for each DRF. Along with the high output of the CsI:Tl scintillator, imaging with pixel binning (2  ×  2) generated high signal-to-noise data at a very low radiation dose (~0.1 cGy). Proton radiographs of a head phantom and a Gammex CT calibration phantom were taken with various configurations. The results of the phantom measurements show that the FPI can generate low noise and high spatial resolution proton radiographs. The WEPL values of the CT tissue surrogate inserts show that the measured relative stopping powers are accurate to ~2%. The panel did not show any noticeable radiation damage after the accumulative dose of approximately 3831 cGy. In summary, we have successfully demonstrated a highly practical method of generating proton radiography using an x-ray flat panel imager.

Investigation of time-resolved proton radiography using x-ray flat-panel imaging system.

PubMed

Jee, K-W; Zhang, R; Bentefour, E H; Doolan, P J; Cascio, E; Sharp, G; Flanz, J; Lu, H-M

2017-03-07

Proton beam therapy benefits from the Bragg peak and delivers highly conformal dose distributions. However, the location of the end-of-range is subject to uncertainties related to the accuracy of the relative proton stopping power estimates and thereby the water-equivalent path length (WEPL) along the beam. To remedy the range uncertainty, an in vivo measurement of the WEPL through the patient, i.e. a proton-range radiograph, is highly desirable. Towards that goal, we have explored a novel method of proton radiography based on the time-resolved dose measured by a flat panel imager (FPI). A 226 MeV pencil beam and a custom-designed range modulator wheel (MW) were used to create a time-varying broad beam. The proton imaging technique used exploits this time dependency by looking at the dose rate at the imager as a function of time. This dose rate function (DRF) has a unique time-varying dose pattern at each depth of penetration. A relatively slow rotation of the MW (0.2 revolutions per second) and a fast image acquisition (30 frames per second, ~33 ms sampling) provided a sufficient temporal resolution for each DRF. Along with the high output of the CsI:Tl scintillator, imaging with pixel binning (2  ×  2) generated high signal-to-noise data at a very low radiation dose (~0.1 cGy). Proton radiographs of a head phantom and a Gammex CT calibration phantom were taken with various configurations. The results of the phantom measurements show that the FPI can generate low noise and high spatial resolution proton radiographs. The WEPL values of the CT tissue surrogate inserts show that the measured relative stopping powers are accurate to ~2%. The panel did not show any noticeable radiation damage after the accumulative dose of approximately 3831 cGy. In summary, we have successfully demonstrated a highly practical method of generating proton radiography using an x-ray flat panel imager.

An investigation of the effects of radiation exposure on stability constraints in epitaxial SiGe strained layers

NASA Astrophysics Data System (ADS)

Chen, Tianbing; Sutton, Akil K.; Haugerud, Becca M.; Henderson, Walter; Gnana Prakash, A. P.; Cressler, John D.; Doolittle, Alan; Liu, Xuefeng; Joseph, Alvin; Marshall, Paul W.

2006-07-01

The thermodynamic stability of device-relevant epitaxial SiGe strained layers under proton irradiation is investigated using X-ray diffraction techniques, and compared with its stability constrain under high-temperature annealing. Irradiation with 63 MeV protons is found to introduce no significant microdefects into the SiGe thin films, regardless of starting stability condition of the SiGe film, and thus does not appear to be an issue for the use of SiGe HBT technology in emerging space systems. The strain relaxation of SiGe thin film under thermal annealing, however, is sensitive to the composition and thickness of the as-grown samples, as expected, with the subsequent lattice relaxation of the unstable samples occurring at a much higher rate than that of metastable samples.

New Method for Super Hydrophobic Treatment of Gas Diffusion Layers for Proton Exchange Membrane Fuel Cells Using Electrochemical Reduction of Diazonium Salts.

PubMed

Thomas, Yohann R J; Benayad, Anass; Schroder, Maxime; Morin, Arnaud; Pauchet, Joël

2015-07-15

The purpose of this article is to report a new method for the surface functionalization of commercially available gas diffusion layers (GDLs) by the electrochemical reduction of diazonium salt containing hydrophobic functional groups. The method results in superhydrophobic GDLs, over a large area, without pore blocking. An X-ray photoelectron spectroscopy study based on core level spectra and chemical mapping has demonstrated the successful grafting route, resulting in a homogeneous distribution of the covalently bonded hydrophobic molecules on the surface of the GDL fibers. The result was corroborated by contact angle measurement, showing similar hydrophobicity between the grafted and PTFE-modified GDLs. The electrochemically modified GDLs were tested in proton exchange membrane fuel cells under automotive, wet, and dry conditions and demonstrated improved performance over traditional GDLs.

Pseudo-diode based on protonic/electronic hybrid oxide transistor

NASA Astrophysics Data System (ADS)

Fu, Yang Ming; Liu, Yang Hui; Zhu, Li Qiang; Xiao, Hui; Song, An Ran

2018-01-01

Current rectification behavior has been proved to be essential in modern electronics. Here, a pseudo-diode is proposed based on protonic/electronic hybrid indium-gallium-zinc oxide electric-double-layer (EDL) transistor. The oxide EDL transistors are fabricated by using phosphorous silicate glass (PSG) based proton conducting electrolyte as gate dielectric. A diode operation mode is established on the transistor, originating from field configurable proton fluxes within the PSG electrolyte. Current rectification ratios have been modulated to values ranged between ˜4 and ˜50 000 with gate electrode biased at voltages ranged between -0.7 V and 0.1 V. Interestingly, the proposed pseudo-diode also exhibits field reconfigurable threshold voltages. When the gate is biased at -0.5 V and 0.3 V, threshold voltages are set to ˜-1.3 V and -0.55 V, respectively. The proposed pseudo-diode may find potential applications in brain-inspired platforms and low-power portable systems.

Radiation Resistance Studies of Amorphous Silicon Alloy Photovoltaic Materials

NASA Technical Reports Server (NTRS)

Woodyard, James R.

1994-01-01

The radiation resistance of commercial solar cells fabricated from hydrogenated amorphous silicon alloys was investigated. A number of different device structures were irradiated with 1.0 MeV protons. The cells were insensitive to proton fluences below 1E12 sq cm. The parameters of the irradiated cells were restored with annealing at 200 C. The annealing time was dependent on proton fluence. Annealing devices for one hour restores cell parameters for fluences below lE14 sq cm require longer annealing times. A parametric fitting model was used to characterize current mechanisms observed in dark I-V measurements. The current mechanisms were explored with irradiation fluence, and voltage and light soaking times. The thermal generation current density and quality factor increased with proton fluence. Device simulation shows the degradation in cell characteristics may be explained by the reduction of the electric field in the intrinsic layer.