National Library of Energy BETA

Sample records for dynamic phase angle

  1. Dynamic Power Flow Controller: Compact Dynamic Phase Angle Regulators for Transmission Power Routing

    SciTech Connect (OSTI)

    2012-01-03

    GENI Project: Varentec is developing compact, low-cost transmission power controllers with fractional power rating for controlling power flow on transmission networks. The technology will enhance grid operations through improved use of current assets and by dramatically reducing the number of transmission lines that have to be built to meet increasing contributions of renewable energy sources like wind and solar. The proposed transmission controllers would allow for the dynamic control of voltage and power flow, improving the grid’s ability to dispatch power in real time to the places where it is most needed. The controllers would work as fail-safe devices whereby the grid would be restored to its present operating state in the event of a controller malfunction instead of failing outright. The ability to affordably and dynamically control power flow with adequate fail-safe switchgear could open up new competitive energy markets which are not possible under the current regulatory structure and technology base.

  2. An engine with means for changing the phase angle between displacer and working pistons: Its thermo dynamic cycle compared to the ideal Stirling cycle

    SciTech Connect (OSTI)

    Ayala V., E.

    1984-08-01

    This paper describes a heat engine comprising a displacer piston actuated by the pressure changes accomplished by the working piston combined with the force exerted by the pressure of a spring against the piston which can be changed to modify the phase angle between the displacer and working pistons. A gas cooler is arranged in an independent closed loop circuit that is put into operation between the end of the expansion stroke and the beginning of the compression stroke. The working cylinder is connected to the cold end of the displacer cylinder through an auxiliary cooler and to the end of the displacer cylinder through the heat regenerator and the heater.

  3. Gas-phase chemical dynamics

    SciTech Connect (OSTI)

    Weston, R.E. Jr.; Sears, T.J.; Preses, J.M.

    1993-12-01

    Research in this program is directed towards the spectroscopy of small free radicals and reactive molecules and the state-to-state dynamics of gas phase collision, energy transfer, and photodissociation phenomena. Work on several systems is summarized here.

  4. Geometric phase for collinear conical intersections. I. Geometric phase angle and vector potentials

    SciTech Connect (OSTI)

    Li Xuan; Brue, Daniel A.; Blandon, Juan D.; Parker, Gregory A.; Kendrick, Brian K.

    2011-02-14

    We present a method for properly treating collinear conical intersections in triatomic systems. The general vector potential (gauge theory) approach for including the geometric phase effects associated with collinear conical intersections in hyperspherical coordinates is presented. The current study develops an introductory method in the treatment of collinear conical intersections by using the phase angle method. The geometric phase angle, {eta}, in terms of purely internal coordinates is derived using the example of a spin-aligned quartet lithium triatomic system. A numerical fit and thus an analytical form for the associated vector potentials are explicitly derived for this triatomic A{sub 3} system. The application of this methodology to AB{sub 2} and ABC systems is also discussed.

  5. Shock dynamics of phase diagrams

    SciTech Connect (OSTI)

    Moro, Antonio

    2014-04-15

    A thermodynamic phase transition denotes a drastic change of state of a physical system due to a continuous change of thermodynamic variables, as for instance pressure and temperature. The classical van der Waals equation of state is the simplest model that predicts the occurrence of a critical point associated with the gasliquid phase transition. Nevertheless, below the critical temperature theoretical predictions of the van der Waals theory significantly depart from the observed physical behaviour. We develop a novel approach to classical thermodynamics based on the solution of Maxwell relations for a generalised family of nonlocal entropy functions. This theory provides an exact mathematical description of discontinuities of the order parameter within the phase transition region, it explains the universal form of the equations of state and the occurrence of triple points in terms of the dynamics of nonlinear shock wave fronts. -- Highlights: A new generalisation of van der Waals equation of state. Description of phase transitions in terms of shock dynamics of state curves. Proof of the universality of equations of state for a general class of models. Interpretation of triple points as confluence of classical shock waves. Correspondence table between thermodynamics and nonlinear conservation laws.

  6. Berry phase and Hannays angle in the BornOppenheimer hybrid systems

    SciTech Connect (OSTI)

    Liu, H.D. [National Laboratory of Science and Technology on Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China)] [National Laboratory of Science and Technology on Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); Yi, X.X. [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China)] [School of Physics and Optoelectronic Technology, Dalian University of Technology, Dalian 116024 (China); Fu, L.B., E-mail: lbfu.iapcm@gmail.com [National Laboratory of Science and Technology on Computational Physics, Institute of Applied Physics and Computational Mathematics, Beijing 100088 (China); HEDPS, Center for Applied Physics and Technology, Peking University, Beijing 100084 (China)

    2013-12-15

    In this paper, we investigate the Berry phase and Hannays angle in the BornOppenheimer (BO) hybrid systems and obtain their algebraic expressions in terms of one form connection. The semiclassical relation of Berry phase and Hannays angle is discussed. We find that, besides the usual connection term, the Berry phase of quantum BO composite system also contains a novel term brought forth by the coupling induced effective gauge potential. This quantum modification can be viewed as an effective AharonovBohm effect. Moreover, the similar phenomenon is founded in Hannays angle of classical BO composite system, which indicates that the Berry phase and Hannays angle possess the same relation as the usual one. An example is used to illustrate our theory. This scheme can be used to generate artificial gauge potentials for neutral atoms. Besides, the quantumclassical hybrid BO system is also studied to compare with the results in full quantum and full classical composite systems. -- Highlights: We have derived the Berry phase and Hannays angle in BO hybrid systems. The Berry phase contains a novel term brought by the effective gauge potential. This mechanism can be used to generate artificial gauge potentials for neutral atoms. The relation between Hannays angles and Berry phases is established.

  7. Analog quadrature signal to phase angle data conversion by a quadrature digitizer and quadrature counter

    DOE Patents [OSTI]

    Buchenauer, C.J.

    1981-09-23

    The quadrature phase angle phi (t) of a pair of quadrature signals S/sub 1/(t) and S/sub 2/(t) is digitally encoded on a real time basis by a quadrature digitizer for fractional phi (t) rotational excursions and by a quadrature up/down counter for full phi (t) rotations. The pair of quadrature signals are of the form S/sub 1/(t) = k(t) sin phi (t) and S/sub 2/(t) = k(t) cos phi (t) where k(t) is a signal common to both. The quadrature digitizer and the quadrature up/down counter may be used together or singularly as desired or required. Optionally, a digital-to-analog converter may follow the outputs of the quadrature digitizer and the quadrature up/down counter to provide an analog signal output of the quadrature phase angle phi (t).

  8. Analog quadrature signal to phase angle data conversion by a quadrature digitizer and quadrature counter

    DOE Patents [OSTI]

    Buchenauer, C. Jerald

    1984-01-01

    The quadrature phase angle .phi.(t) of a pair of quadrature signals S.sub.1 (t) and S.sub.2 (t) is digitally encoded on a real time basis by a quadrature digitizer for fractional .phi.(t) rotational excursions and by a quadrature up/down counter for full .phi.(t) rotations. The pair of quadrature signals are of the form S.sub.1 (t)=k(t) sin .phi.(t) and S.sub.2 (t)=k(t) cos .phi.(t) where k(t) is a signal common to both. The quadrature digitizer and the quadrature up/down counter may be used together or singularly as desired or required. Optionally, a digital-to-analog converter may follow the outputs of the quadrature digitizer and the quadrature up/down counter to provide an analog signal output of the quadrature phase angle .phi.(t).

  9. Calculation of contact angles at triple phase boundary in solid oxide fuel cell anode using the level set method

    SciTech Connect (OSTI)

    Sun, Xiaojun; Hasegawa, Yosuke; Kohno, Haruhiko; Jiao, Zhenjun; Hayakawa, Koji; Okita, Kohei; Shikazono, Naoki

    2014-10-15

    A level set method is applied to characterize the three dimensional structures of nickel, yttria stabilized zirconia and pore phases in solid oxide fuel cell anode reconstructed by focused ion beam-scanning electron microscope. A numerical algorithm is developed to evaluate the contact angles at the triple phase boundary based on interfacial normal vectors which can be calculated from the signed distance functions defined for each of the three phases. Furthermore, surface tension force is estimated from the contact angles by assuming the interfacial force balance at the triple phase boundary. The average contact angle values of nickel, yttria stabilized zirconia and pore are found to be 143156, 83138 and 82123, respectively. The mean contact angles remained nearly unchanged after 100 hour operation. However, the contact angles just after reduction are different for the cells with different sintering temperatures. In addition, standard deviations of the contact angles are very large especially for yttria stabilized zirconia and pore phases. The calculated surface tension forces from mean contact angles were close to the experimental values found in the literature. Slight increase of surface tensions of nickel/pore and nickel/yttria stabilized zirconia were observed after operation. Present data are expected to be used not only for the understanding of the degradation mechanism, but also for the quantitative prediction of the microstructural temporal evolution of solid oxide fuel cell anode. - Highlights: A level set method is applied to characterize the 3D structures of SOFC anode. A numerical algorithm is developed to evaluate the contact angles at the TPB. Surface tension force is estimated from the contact angles. The average contact angle values are found to be 143o-156o, 83o-138o and 82o-123o. Present data are expected to understand degradation and predict evolution of SOFC.

  10. High energy x-ray phase contrast CT using glancing-angle grating interferometers

    SciTech Connect (OSTI)

    Sarapata, A.; Stayman, J. W.; Siewerdsen, J. H.; Finkenthal, M.; Stutman, D.; Pfeiffer, F.

    2014-02-15

    Purpose: The authors present initial progress toward a clinically compatible x-ray phase contrast CT system, using glancing-angle x-ray grating interferometry to provide high contrast soft tissue images at estimated by computer simulation dose levels comparable to conventional absorption based CT. Methods: DPC-CT scans of a joint phantom and of soft tissues were performed in order to answer several important questions from a clinical setup point of view. A comparison between high and low fringe visibility systems is presented. The standard phase stepping method was compared with sliding window interlaced scanning. Using estimated dose values obtained with a Monte-Carlo code the authors studied the dependence of the phase image contrast on exposure time and dose. Results: Using a glancing angle interferometer at high x-ray energy (∼45 keV mean value) in combination with a conventional x-ray tube the authors achieved fringe visibility values of nearly 50%, never reported before. High fringe visibility is shown to be an indispensable parameter for a potential clinical scanner. Sliding window interlaced scanning proved to have higher SNRs and CNRs in a region of interest and to also be a crucial part of a low dose CT system. DPC-CT images of a soft tissue phantom at exposures in the range typical for absorption based CT of musculoskeletal extremities were obtained. Assuming a human knee as the CT target, good soft tissue phase contrast could be obtained at an estimated absorbed dose level around 8 mGy, similar to conventional CT. Conclusions: DPC-CT with glancing-angle interferometers provides improved soft tissue contrast over absorption CT even at clinically compatible dose levels (estimated by a Monte-Carlo computer simulation). Further steps in image processing, data reconstruction, and spectral matching could make the technique fully clinically compatible. Nevertheless, due to its increased scan time and complexity the technique should be thought of not as

  11. Identifying ferroelectric phase and domain structure using angle-resolved piezoresponse force microscopy

    SciTech Connect (OSTI)

    Kim, K. L.; Huber, J. E.

    2014-03-24

    We used angle-resolved piezoresponse force microscopy (AR-PFM), vertical PFM (VPFM), and electron backscatter diffraction (EBSD) to provide a systematic interpretation of domain patterns in polycrystalline, near-morphotropic lead zirconate titanate. This material was used to illustrate the power of AR-PFM methods in resolving complex domain patterns where multiple phases may be present. AR-PFM was carried out with a 30° rotation interval, and the resulting data were analysed to identify the orientation of the underlying axis of piezoelectricity. The additional information provided by AR-PFM was studied, comparing its capabilities to those of 3-dimensional PFM, consisting of one VPFM image and two orthogonal lateral PFM (LPFM) images. We show that, in certain conditions, using AR-PFM can identify the phases present at the sub-grain scale. This was confirmed using VPFM and EBSD data. Furthermore, the method can discriminate laminated domain patterns that appear similar in VPFM and can reliably expose domain patterns that may not be seen in LPFM data from a single orientation, or even in 3D PFM data.

  12. Dynamic failure in two-phase materials

    SciTech Connect (OSTI)

    Fensin, S. J.; Walker, E. K.; Cerreta, E. K.; Trujillo, C. P.; Martinez, D. T.; Gray, G. T.

    2015-12-21

    Previous experimental research has shown that microstructural features such as interfaces, inclusions, vacancies, and heterogeneities can all act as voidnucleation sites. However, it is not well understood how important these interfaces are to damage evolution and failure as a function of the surrounding parentmaterials. In this work, we present results on three different polycrystallinematerials: (1) Cu, (2) Cu-24 wt. %Ag, and (3) Cu-15 wt. %Nb which were studied to probe the influence of bi-metal interfaces onvoidnucleation and growth. These materials were chosen due to the range of difference in structure and bulk properties between the two phases. The initial results suggest that when there are significant differences between the bulk properties (for example: stacking fault energy, melting temperature, etc.) the type of interface between the two parent materials does not principally control the damage nucleation and growth process. Rather, it is the “weaker” material that dictates the dynamic spall strength of the overall two-phase material.

  13. Dynamic failure in two-phase materials

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Fensin, S. J.; Walker, E. K.; Cerreta, E. K.; Trujillo, C. P.; Martinez, D. T.; Gray, G. T.

    2015-12-21

    Previous experimental research has shown that microstructural features such as interfaces, inclusions, vacancies, and heterogeneities can all act as voidnucleation sites. However, it is not well understood how important these interfaces are to damage evolution and failure as a function of the surrounding parentmaterials. In this work, we present results on three different polycrystallinematerials: (1) Cu, (2) Cu-24 wt. %Ag, and (3) Cu-15 wt. %Nb which were studied to probe the influence of bi-metal interfaces onvoidnucleation and growth. These materials were chosen due to the range of difference in structure and bulk properties between the two phases. The initial resultsmore » suggest that when there are significant differences between the bulk properties (for example: stacking fault energy, melting temperature, etc.) the type of interface between the two parent materials does not principally control the damage nucleation and growth process. Rather, it is the “weaker” material that dictates the dynamic spall strength of the overall two-phase material.« less

  14. Confined martensitic phase transformation kinetics and lattice dynamics in

    Office of Scientific and Technical Information (OSTI)

    Ni-Co-Fe-Ga shape memory alloys (Journal Article) | SciTech Connect Confined martensitic phase transformation kinetics and lattice dynamics in Ni-Co-Fe-Ga shape memory alloys Citation Details In-Document Search Title: Confined martensitic phase transformation kinetics and lattice dynamics in Ni-Co-Fe-Ga shape memory alloys Here we describe insights into the phase transformation kinetics and lattice dynamics associated with the newly discovered confined martensitic transformation, which are

  15. Effects of Contact Angle Hysteresis on Ice Adhesion and Growth over Superhydrophobic Surfaces under Dynamic Flow Conditions

    SciTech Connect (OSTI)

    Sarshar, Mohammad Amin; Swarctz, Christopher; Hunter, Scott Robert; Simpson, John T; Choi, Chang-Hwan

    2012-01-01

    In this paper, the iceophobic properties of superhydrophobic surfaces are investigated under dynamic flow conditions by using a closed loop low-temperature wind tunnel. Superhydrophobic surfaces were prepared by coating the substrates of aluminum and steel plates with nano-structured hydrophobic particles. The superhydrophobic plates along with uncoated control ones were exposed to an air flow of 12 m/s and 20 F accompanying micron-sized water droplets in the icing wind tunnel and the ice formation and accretion were probed by high-resolution CCD cameras. Results show that the superhydrophobic coatings significantly delay the ice formation and accretion even under the dynamic flow condition of the highly energetic impingement of accelerated super-cooled water droplets. It is found that there is a time scale for this phenomenon (delay of the ice formation) which has a clear correlation with the contact angle hysteresis and the length scale of surface roughness of the superhydrophobic surface samples, being the highest for the plate with the lowest contact angle hysteresis and finer surface roughness. The results suggest that the key parameter for designing iceophobic surfaces is to retain a low contact angle hysteresis (dynamic property) and the non-wetting superhydrophobic state under the hydrodynamic pressure of impinging droplets, rather than to only have a high contact angle (static property), in order to result in efficient anti-icing properties under dynamic conditions such as forced flows.

  16. Mountain-induced Dynamics Influence Cloud Phase

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    2010-2011 via coordinated projects targeting clouds, precipitation, and dynamics in the Park Range of Colorado. The National Science Foundation sponsored aircraft measurements as...

  17. Dynamic pathway of the photoinduced magnetic phase transition...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dynamic pathway of the photoinduced magnetic phase transition of multiferroic TbMnO3 Wednesday, November 25, 2015 - 3:00pm SLAC, Redtail Hawk Conference Room 108A Speaker:...

  18. Optimization of the phase angle in ideal Stirling engines using the concept of tidal and ancillary domains

    SciTech Connect (OSTI)

    Finkelstein, T.

    1996-12-31

    In a parallel publication (Finkelstein, 1996), a new analysis of the ideal loss-less Stirling Cycle Machine was presented based upon the concept of overlapping Tidal and Ancillary domains. This has led to the definition of the following two dimensionless parameters: (1) the specific performance {Pi} for the unified measure of output for engines, refrigerators and heat pumps, and (2) the Tidal Compression Ratio {Kappa}, which is akin to the Compression Ratio in internal combustion machines and uniquely defines the operational characteristics of any Stirling Cycle Machine. An analysis to replace the alternative traditional Schmidt equation was presented and a new expression for the general performance of practical Stirling engines was derived from the first principles. An analytical optimization of the volumes of the three internal heat exchangers was also included. In this present paper, which is an extension of the above analysis, these new equations for the performance are utilized for an analytical optimization of the phase angles. It is shown that the optimum phase lead of the expansion space and the optimum phase lag of the compression space for an ideal isothermal machine is precisely {pi}/4 for all possible machines. This is independent of the previous conclusion that the pressure vector should have a zero phase lag or lead.

  19. Method and apparatus of wide-angle optical beamsteering from a nanoantenna phased array

    DOE Patents [OSTI]

    Davids, Paul; DeRose, Christopher; Rakich, Peter Thomas

    2015-08-11

    An optical beam-steering apparatus is provided. The apparatus includes one or more optical waveguides and at least one row of metallic nanoantenna elements overlying and electromagnetically coupled to a respective waveguide. In each such row, individual nanoantenna elements are spaced apart along an optical propagation axis of the waveguide so that there is an optical propagation phase delay between successive pairs of nanoantenna elements along the row. The apparatus also includes a respective single electric heating element in thermal contact with each of the waveguides. Each heating element is arranged to heat, substantially uniformly, at least that portion of its waveguide that directly underlies the corresponding row of nanoantenna elements.

  20. A new hydrocarbon empirical potential in angle bending calculation for the molecular dynamics simulation

    SciTech Connect (OSTI)

    Ping, Tan Ai; Hoe, Yeak Su

    2014-07-10

    Typically, short range potential only depends on neighbouring atoms and its parameters function can be categorized into bond stretching, angle bending and bond rotation potential. In this paper, we present our work called Angle Bending (AB) potential, whereas AB potential is the extension of our previous work namely Bond Stretching (BS) potential. Basically, potential will tend to zero after truncated region, potential in specific region can be represented by different piecewise polynomial. We proposed the AB piecewise potential which is possible to solve a system involving three atoms. AB potential able to handle the potential of covalent bonds for three atoms as well as two atoms cases due to its degeneracy properties. Continuity for the piecewise polynomial has been enforced by coupling with penalty methods. There are still plenty of improvement spaces for this AB potential. The improvement for three atoms AB potential will be studied and further modified into torsional potential which are the ongoing current research.

  1. Dependence of Berry's phase on the sign of the g factor for conical rotation of a magnetic field, measured without any dynamical phase shift

    SciTech Connect (OSTI)

    Morinaga, Atsuo; Toriyama, Koichi; Narui, Hirotaka; Aoki, Takatoshi; Imai, Hiromitsu

    2011-05-15

    Berry's phase for a whole turn in a conical rotation of the magnetic field with a semiangle {theta} has been clearly manifested free from the dynamical phase shift using the magnetic-field-insensitive two-photon transitions between sodium-ground hyperfine states having different signs of the g factors. The solid angles for states with a positive g factor and with a negative g factor are verified to be 2{pi}(1-cos{theta}) and -2{pi}(1+cos{theta}), respectively, for a right-handed rotation of a magnetic field and a semiangle of 0{<=}{theta}{<=}{pi}/2.

  2. Geometric phase of a qubit driven by a phase noise laser under non-Markovian dynamics

    SciTech Connect (OSTI)

    Berrada, K.

    2014-01-15

    Robustness of the geometric phase (GP) with respect to the environmental effects is a basic condition for an effective quantum computation. Here, we study quantitatively the GP of a two-level atom system driven by a phase noise laser under non-Markovian dynamics in terms of different parameters involved in the whole system. We find that with the change of the damping coupling, the GP is very sensitive to its properties exhibiting long collapse and revival phenomena, which play a significant role in enhancing the stabilization and control of the system dynamics. Moreover, we show that the GP can be considered as a tool for testing and characterizing the nature of the qubitenvironment coupling. Due to the significance of how a system is quantum correlated with its environment in the construction of a scalable quantum computer, the entanglement dynamics between the qubit with its environment under external classical noise is evaluated and investigated during the time evolution. -- Highlights: Geometric phase under noise phase laser. Dynamics of the geometric phase under non-Markovian dynamics in the presence of classical noise. Solution of master equation of the system in terms atomic inversion. Nonlocal correlation between the system and its environment under non-Markovianity.

  3. Protein Folding Dynamics Detected By Time-Resolved Synchrotron X-ray Small-Angle Scattering Technique

    SciTech Connect (OSTI)

    Fujisawa, Tetsuro; Takahashi, Satoshi [RIKEN Harima Institute, SPring-8 Center, Laboratory for Biometal Science, Hyogo 679-5148 (Japan); Institute for Protein Research, Osaka University Suita Osaka 565-0871/CREST, JST (Japan)

    2007-03-30

    The polypeptide collapse is an essential dynamics in protein folding. To understand the mechanism of the collapse, in situ observation of folding by various probes is necessary. The changes in secondary and tertiary structures in the folding process of globular proteins, whose chain lengths are less than 300 polypeptides, were observed by circular dichrosim and intrinsic fluorescence spectroscopies, respectively. On the other hand, those in protein compactness could be only detected by using time-resolved synchrotron x-ray small-angle scattering technique. The observed dynamics for several proteins with different topologies suggested a common folding mechanism termed 'collapse and search' dynamics, in which the polypeptide collapse precedes the formation of the native contact formation. In 'collapse and search' dynamics, the most outstanding feature lied in the compactness of the initial intermediates. The collapsed intermediates demonstrated the scaling relationship between radius of gyration (Rg) and chain length with a scaling exponent of 0.35 {+-} 0.11, which is close to the value (1/3) predicted by mechano-statistical theory for the collapsed globules of polymers in poor solvent. Thus, it was suggested that the initial collapse is caused by the coil-globule transition of polymers. Since the collapse is essential to the folding of larger proteins, further investigations on the collapse likely lead to an important insight into the protein folding phenomena.

  4. Ultra-small-angle X-ray scattering study of second- phase particles in heat-treated Zircaloy-4

    SciTech Connect (OSTI)

    Srirangam, Prakash; Idrees, Yasir; Ilavsky, Jan; Daymond, Mark R.

    2015-01-01

    The ultra-small-angle X-ray scattering (USAXS) technique has been used to investigate and to quantify the morphology and size distribution of secondphase particles in Zircaloy-4 under various heat-treatment conditions. The alloy samples were solutionized in the phase field at 1293 K for 15 min and then cooled at different rates, including water quenching, air cooling and furnace cooling. The water-quenched samples were subsequently subjected to a thermal aging treatment at 873 K for different aging times (30, 60, 120 and 300 min). The USAXS results show that water quenching and air cooling from the phase field produces a narrow size distribution of fine-size precipitates with an average diameter of 300–800 A ° , while furnace cooling resulted in coarsening of the particles, with a broad size distribution having an average precipitate size of 600–1200 A ° . Further, the furnace-cooled sample shows a higher volume fraction of particles than the water-quenched or air-cooled sample. The USAXS results on the quenched then aged samples show that aging at 873 K for 10 min resulted in very fine size precipitates with an average diameter of 200–350 A ° . A rapid precipitation with the highest number density of second-phase particles amongst all the heat-treated samples (4.3 1020 m3) was observed in the sample aged for 10 min at 873 K. Particles of larger size and with a broad size distribution were observed in the sample aged at 873 K for 300 min. A bimodal type of particle size distribution was observed in all the heat-treated samples. Important parameters in the characterization of second-phase particles, such as the average size, size distribution, volume fraction and number density, were evaluated and quantified. These parameters are discussed for both heat-treated and aged specimens. Transmission and scanning transmission electron microscopy characterization were carried out on all heat-treated samples, to assist in interpretation and to substantiate the

  5. UNIVERSALITY OF PHASE TRANSITION DYNAMICS: TOPOLOGICAL DEFECTS FROM SYMMETRY BREAKING

    SciTech Connect (OSTI)

    Zurek, Wojciech H.; Del Campo, Adolfo

    2014-02-13

    In the course of a non-equilibrium continuous phase transition, the dynamics ceases to be adiabatic in the vicinity of the critical point as a result of the critical slowing down (the divergence of the relaxation time in the neighborhood of the critical point). This enforces a local choice of the broken symmetry and can lead to the formation of topological defects. The Kibble-Zurek mechanism (KZM) was developed to describe the associated nonequilibrium dynamics and to estimate the density of defects as a function of the quench rate through the transition. During recent years, several new experiments investigating formation of defects in phase transitions induced by a quench both in classical and quantum mechanical systems were carried out. At the same time, some established results were called into question. We review and analyze the Kibble-Zurek mechanism focusing in particular on this surge of activity, and suggest possible directions for further progress.

  6. Isomorphic phase transformation in shocked cerium using molecular dynamics

    SciTech Connect (OSTI)

    Dupont, Virginie; Germann, Timothy C; Chen, Shao - Ping

    2010-08-12

    Cerium (Ce) undergoes a significant ({approx}16%) volume collapse associated with an isomorphic fcc-fcc phase transformation when subject to compressive loading. We present here a new Embedded Atom Method (EAM) potential for Cerium that models two minima for the two fcc phases. We show results from its use in Molecular Dynamics (MD) simulations of Ce samples subjected to shocks with pressures ranging from 0.5 to 25 GPa. A split wave structure is observed, with an elastic precursor followed by a plastic wave. The plastic wave causes the expected fcc-fcc phase transformation. Comparisons to experiments and MD simulations on Cesium (Cs) indicate that three waves could be observed. The construction of the EAM potential may be the source of the difference.

  7. Anomalous small-angle X-ray scattering of nanoporous two-phase atomistic models for amorphous silicon–germanium alloys

    SciTech Connect (OSTI)

    Chehaidar, A.

    2015-09-15

    The present work deals with a detailed analysis of the anomalous small-angle X-ray scattering in amorphous silicon–germanium alloy using the simulation technique. We envisage the nanoporous two-phase alloy model consisting in a mixture of Ge-rich and Ge-poor domains and voids at the nanoscale. By substituting Ge atoms for Si atoms in nanoporous amorphous silicon network, compositionally heterogeneous alloys are generated with various composition-contrasts between the two phases. After relaxing the as-generated structure, we compute its radial distribution function, and then we deduce by the Fourier transform technique its anomalous X-ray scattering pattern. Using a smoothing procedure, the computed X-ray scattering patterns are corrected for the termination errors due to the finite size of the model, allowing so a rigorous quantitative analysis of the anomalous small-angle scattering. Our simulation shows that, as expected, the anomalous small-angle X-ray scattering technique is a tool of choice for characterizing compositional heterogeneities coexisting with structural inhomogeneities in an amorphous alloy. Furthermore, the sizes of the compositional nanoheterogeneities, as measured by anomalous small-angle X-ray scattering technique, are X-ray energy independent. A quantitative analysis of the separated reduced anomalous small-angle X-ray scattering, as defined in this work, provided a good estimate of their size.

  8. Dynamic Studies of Lung Fluid Clearance with Phase Contrast Imaging

    SciTech Connect (OSTI)

    Kitchen, Marcus J.; Williams, Ivan; Irvine, Sarah C.; Morgan, Michael J.; Paganin, David M.; Lewis, Rob A.; Pavlov, Konstantin; Hooper, Stuart B.; Wallace, Megan J.; Siu, Karen K. W.; Yagi, Naoto; Uesugi, Kentaro

    2007-01-19

    Clearance of liquid from the airways at birth is a poorly understood process, partly due to the difficulties of observing and measuring the distribution of air within the lung. Imaging dynamic processes within the lung in vivo with high contrast and spatial resolution is therefore a major challenge. However, phase contrast X-ray imaging is able to exploit inhaled air as a contrast agent, rendering the lungs of small animals visible due to the large changes in the refractive index at air/tissue interfaces. In concert with the high spatial resolution afforded by X-ray imaging systems (<100 {mu}m), propagation-based phase contrast imaging is ideal for studying lung development. To this end we have utilized intense, monochromatic synchrotron radiation, together with a fast readout CCD camera, to study fluid clearance from the lungs of rabbit pups at birth. Local rates of fluid clearance have been measured from the dynamic sequences using a single image phase retrieval algorithm.

  9. Structural phase transition of ternary dielectric SmGdO{sub 3}: Evidence from angle dispersive x-ray diffraction and Raman spectroscopic studies

    SciTech Connect (OSTI)

    Sharma, Yogesh E-mail: satya504@gmail.com Sahoo, Satyaprakash E-mail: satya504@gmail.com Misra, Pankaj; Pavunny, Shojan P.; Katiyar, Ram S. E-mail: satya504@gmail.com; Mishra, A. K.; Dwivedi, Abhilash; Sharma, S. M.

    2015-03-07

    High-pressure synchrotron based angle dispersive x-ray diffraction (ADXRD) studies were carried out on SmGdO{sub 3} (SGO) up to 25.7 GPa at room temperature. ADXRD results indicated a reversible pressure-induced phase transition from ambient monoclinic to hexagonal phase at ∼8.9 GPa. The observed pressure-volume data were fitted with the third order Birch-Murnaghan equation of state yielding zero pressure bulk modulus B{sub 0} = 132(22) and 177(9) GPa for monoclinic (B-type) and hexagonal (A-type) phases, respectively. Pressure dependent micro-Raman spectroscopy further confirmed the monoclinic to hexagonal phase transition at about 5.24 GPa. The mode Grüneisen parameters and pressure coefficients for different Raman modes corresponding to each individual phases of SGO were calculated using pressure dependent Raman mode analysis.

  10. Average dynamics of a finite set of coupled phase oscillators

    SciTech Connect (OSTI)

    Dima, Germn C. Mindlin, Gabriel B.

    2014-06-15

    We study the solutions of a dynamical system describing the average activity of an infinitely large set of driven coupled excitable units. We compared their topological organization with that reconstructed from the numerical integration of finite sets. In this way, we present a strategy to establish the pertinence of approximating the dynamics of finite sets of coupled nonlinear units by the dynamics of its infinitely large surrogate.

  11. Mapping and uncertainty analysis of energy and pitch angle phase space in the DIII-D fast ion loss detector

    SciTech Connect (OSTI)

    Pace, D. C. Fisher, R. K.; Van Zeeland, M. A.; Pipes, R.

    2014-11-15

    New phase space mapping and uncertainty analysis of energetic ion loss data in the DIII-D tokamak provides experimental results that serve as valuable constraints in first-principles simulations of energetic ion transport. Beam ion losses are measured by the fast ion loss detector (FILD) diagnostic system consisting of two magnetic spectrometers placed independently along the outer wall. Monte Carlo simulations of mono-energetic and single-pitch ions reaching the FILDs are used to determine the expected uncertainty in the measurements. Modeling shows that the variation in gyrophase of 80 keV beam ions at the FILD aperture can produce an apparent measured energy signature spanning across 50-140 keV. These calculations compare favorably with experiments in which neutral beam prompt loss provides a well known energy and pitch distribution.

  12. Small-angle neutron scattering study of magnetic ordering and inhomogeneity across the martensitic phase transformation in Ni50–xCoxMn₄₀Sn₁₀ alloys

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Bhatti, Kanwal Preet; El-Khatib, S.; Srivastava, Vijay; James, R. D.; Leighton, C.

    2012-04-27

    The Heusler-derived multiferroic alloy Ni50–xCoxMn₄₀Sn₁₀ has recently been shown to exhibit, at just above room temperature, a highly reversible martensitic phase transformation with an unusually large magnetization change. In this work the nature of the magnetic ordering above and below this transformation has been studied in detail in the critical composition range x = 6–8 via temperature-dependent (5–600 K) magnetometry and small-angle neutron scattering (SANS). We observe fairly typical paramagnetic to long-range-ordered ferromagnetic phase transitions on cooling to 420–430 K, with the expected critical spin fluctuations, followed by first-order martensitic phase transformations to a nonferromagnetic state below 360–390 K. Themore » static magnetization reveals complex magnetism in this low-temperature nonferromagnetic phase, including a Langevin-like field dependence, distinct spin freezing near 60 K, and significant exchange bias effects, consistent with superparamagnetic blocking of ferromagnetic clusters of nanoscopic dimensions. We demonstrate that these spin clusters, whose existence has been hypothesized in a variety of martensitic alloys exhibiting competition between ferromagnetic and antiferromagnetic exchange interactions, can be directly observed by SANS. The scattering data are consistent with a liquidlike spatial distribution of interacting magnetic clusters with a mean center-to-center spacing of 12 nm. Considering the behavior of the superparmagnetism, cooling-field and temperature-dependent exchange bias, and magnetic SANS, we discuss in detail the physical form and origin of these spin clusters, their intercluster interactions, the nature of the ground-state magnetic ordering in the martensitic phase, and the implications for our understanding of such alloy systems.« less

  13. Heterogeneous nucleation and growth dynamics in the light-induced phase transition in vanadium dioxide

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Brady, Nathaniel F.; Appavoo, Kannatassen; Seo, Minah; Nag, Joyeeta; Prasankumar, Rohit P.; Haglund, Richard F.; Hilton, David J.

    2016-03-02

    Here we report on ultrafast optical investigations of the light-induced insulator-to-metal phase transition in vanadium dioxide with controlled disorder generated by substrate mismatch. These results reveal common dynamics of this optically-induced phase transition that are independent of this disorder. Lastly, above the fluence threshold for completing the transition to the rutile crystalline phase, we find a common time scale, independent of sample morphology, of 40.5 ± 2 ps that is consistent with nucleation and growth dynamics of the R phase from the parent M1 ground state.

  14. Structural and phase transition changes of sodium dodecyl sulfate micellar solution in alcohols probed by small-angle neutron scattering (SANS)

    SciTech Connect (OSTI)

    Putra, Edy Giri Rachman; Patriati, Arum

    2015-04-16

    Small-angle neutron scattering (SANS) measurements on 0.3M sodium dodecyl sulfate (SDS) micellar solutions have been performed in the presence of n-alcohols, from ethanol to decanol at different alcohol concentrations, 2–10 wt%. The ellipsoid micellar structure which occurred in the 0.3M SDS in aqueous solution with the size range of 30–50 Å has different behavior at various hydrocarbon chain length and concentration of alcohols. At low concentration and short chain-length of alcohols, such as ethanol, propanol, and butanol, the size of micelles reduced and had a spherical-like structure. The opposite effect occurred as medium to long chain alcohols, such as hexanol, octanol and decanol was added into the 0.3M SDS micellar solutions. The micelles structure changed to be more elongated in major axis and then crossed the critical phase transition from micellar solution into liquid crystal phase as lamellar structure emerged by further addition of alcohols. The inter-lamellar distances were also depending on the hydrocarbon chain length and concentration of alcohols. In the meantime, the persistent micellar structures occurred in addition of medium chain of n-alcohol, pentanol at all concentrations.

  15. Technology verification phase. Dynamic isotope power system. Final report

    SciTech Connect (OSTI)

    Halsey, D.G.

    1982-03-10

    The Phase I requirements of the Kilowatt Isotope Power System (KIPS) program were to make a detailed Flight System Conceptual Design (FSCD) for an isotope fueled organic Rankine cycle power system and to build and test a Ground Demonstration System (GDS) which simulated as closely as possible the operational characteristics of the FSCD. The activities and results of Phase II, the Technology Verification Phase, of the program are reported. The objectives of this phase were to increase system efficiency to 18.1% by component development, to demonstrate system reliability by a 5000 h endurance test and to update the flight system design. During Phase II, system performance was improved from 15.1% to 16.6%, an endurance test of 2000 h was performed while the flight design analysis was limited to a study of the General Purpose Heat Source, a study of the regenerator manufacturing technique and analysis of the hardness of the system to a laser threat. It was concluded from these tests that the GDS is basically prototypic of a flight design; all components necessary for satisfactory operation were demonstrated successfully at the system level; over 11,000 total h of operation without any component failure attested to the inherent reliability of this type of system; and some further development is required, specifically in the area of performance. (LCL)

  16. Dynamically Driven Phase Transformations in Damaged Composite Materials

    SciTech Connect (OSTI)

    Plohr, JeeYeon N.; Clements, Brad E.; Addessio, Frank L

    2006-07-28

    A model developed for composite materials undergoing dynamicaly driven phase transitions in its constituents has been extended to allow for complex material micro-structure and evolution of damage. In this work, damage is described by interfacial debonding and micro-crack growth. We have applied the analysis to silicon carbide-titanium (SiC-Ti) unidirectional metal matrix composites. In these composites, Ti can undergo a low pressure and temperature solid-solid phase transition. With these extensions we have carried out simulations to study the complex interplay between loading rates, micro-structure, damage, and the thermo-mechanical response of the system as it undergoes a solid-solid phase transitions.

  17. Effect of Protein Incorporation on the Nanostructure of the Bicontinuous Microemulsion Phase of Winsor-III Systems: A Small-Angle Neutron Scattering Study

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Hayes, Douglas G.; Gomez del Rio, Javier A.; Ye, Ran; Urban, Volker S.; Pingali, Sai Venkatesh; O’Neill, Hugh M.

    2015-01-20

    Small-angle neutron scattering (SANS) analysis using the Teubner₋Strey model has been employed to evaluate the effect of protein incorporation into the middle, bicontinuous microemulsion (BμE) phase of Winsor-III (WIII) systems formed by an aerosol-OT (AOT)/alkyl ethoxylate mixed surfactant system to understand better the extraction of proteins into and out of BμEs and to study the effect of proteins on a system that serves as a biomimetic analog of cell membranes. Under conditions of high salinity, the incorporation of positively charged proteins cytochrome c, lysozyme, and α-chymotrypsin, near their solubilization limit in the BμEs promoted the release of water and oilmore » from the BμEs, a decrease in the quasi-periodic repeat distance (d), an increase in ordering (a decrease in the amphiphilicity factor, fa) for the surfactant monolayers, and a decrease in the surface area per surfactant headgroup, suggesting that the proteins affected the self-assembly of components in the BμE phase and produced Debye shielding of AOTs sulfonate headgroup. For WIII systems possessing lower salinity, cytochrome c reduced the efficiency of surfactant in the BμE phase, noted by increases in d and fa, suggesting that the enzyme and AOT underwent ion pairing. We find that the results of this study demonstrate the importance of ionic strength to modulate proteinsurfactant interactions, which in turn will control the release of proteins encapsulated in the BμEs, relevant to WIII-based protein extraction and controlled release from BμE delivery systems, and demonstrate the utility of BμEs as a model system to understand the effect of proteins on biomembranes.« less

  18. Optical phase and the ionization-dissociation dynamics of excited H{sub 2}

    SciTech Connect (OSTI)

    Kirrander, A.; Fielding, H. H.; Jungen, Ch.

    2010-01-14

    We investigate the influence of optical phase on the dynamics of hydrogen molecules excited to a spectral region with competition between predominantly rotational ionization, and dissociation. We show that an appropriate choice of optical phase changes the relative timing of the ionization and dissociation. Furthermore, the temporal width of the ionization and dissociation fluxes can also be controlled, in a matter-wave analogy of transform-limited optical pulses. The close link between the optical phase and the photoinduced electronic and molecular dynamics has important implications for femtochemistry.

  19. Dynamic interplay between uranyl phosphate precipitation, sorption, and phase evolution

    SciTech Connect (OSTI)

    Munasinghe, P. Sumudu; Elwood Madden, Megan E.; Brooks, Scott C.; Elwood Madden, Andrew S.

    2015-04-17

    We report that natural examples demonstrate uranyl-phosphate minerals can maintain extremely low levels of aqueous uranium in groundwaters due to their low solubility. Thus, greater understanding of the geochemical factors leading to uranyl phosphate precipitation may lead to successful application of phosphate-based remediation methods. However, the solubility of uranyl phosphate phases varies over >3 orders of magnitude, with the most soluble phases typically observed in lab experiments. To understand the role of common soil/sediment mineral surfaces in the nucleation and transformation of uranyl phosphate minerals under environmentally relevant conditions, we carried out batch experiments with goethite and mica at pH 6 in mixed electrolyte solutions ranging from 1–800 μM U and 1–800 μM P. All experiments ended with uranium concentrations below the USEPA MCL for U, but with 2–3 orders of magnitude difference in uranium concentrations.

  20. Dynamic interplay between uranyl phosphate precipitation, sorption, and phase evolution

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Munasinghe, P. Sumudu; Elwood Madden, Megan E.; Brooks, Scott C.; Elwood Madden, Andrew S.

    2015-04-17

    We report that natural examples demonstrate uranyl-phosphate minerals can maintain extremely low levels of aqueous uranium in groundwaters due to their low solubility. Thus, greater understanding of the geochemical factors leading to uranyl phosphate precipitation may lead to successful application of phosphate-based remediation methods. However, the solubility of uranyl phosphate phases varies over >3 orders of magnitude, with the most soluble phases typically observed in lab experiments. To understand the role of common soil/sediment mineral surfaces in the nucleation and transformation of uranyl phosphate minerals under environmentally relevant conditions, we carried out batch experiments with goethite and mica at pHmore » 6 in mixed electrolyte solutions ranging from 1–800 μM U and 1–800 μM P. All experiments ended with uranium concentrations below the USEPA MCL for U, but with 2–3 orders of magnitude difference in uranium concentrations.« less

  1. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; Riseborough, Peter S.; Gu, Genda; Gilbertson, Steve M.; Taylor, Antoinette; Rodriguez, George

    2015-10-12

    A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate thatmore » nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.« less

  2. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; Riseborough, Peter S.; Gu, Genda; Gilbertson, Steve M.; Taylor, Antoinette; Rodriguez, George

    2015-10-12

    A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate thatmore »nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.« less

  3. Ring magnet firing angle control

    DOE Patents [OSTI]

    Knott, M.J.; Lewis, L.G.; Rabe, H.H.

    1975-10-21

    A device is provided for controlling the firing angles of thyratrons (rectifiers) in a ring magnet power supply. A phase lock loop develops a smooth ac signal of frequency equal to and in phase with the frequency of the voltage wave developed by the main generator of the power supply. A counter that counts from zero to a particular number each cycle of the main generator voltage wave is synchronized with the smooth AC signal of the phase lock loop. Gates compare the number in the counter with predetermined desired firing angles for each thyratron and with coincidence the proper thyratron is fired at the predetermined firing angle.

  4. Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates

    SciTech Connect (OSTI)

    Miskowiec, Andrew J.; Kirkegaard, Marie C.; Huq, Ashfia; Mamontov, Eugene; Herwig, Kenneth W.; Trowbridge, Lee D.; Rondinone, Adam Justin; Anderson, Brian B.

    2015-11-17

    We report a novel production method for uranium oxy uoride [(UO2)7F14(H2O)7] 4H2O, referred to as structure D. Structure D is produced as a product of hydrating anhydrous uranyl uoride, UO2F2, through the gas phase at ambient temperatures fol- lowed by desiccation by equilibration with a dry environment. We follow the structure of [(UO2)7F14(H2O)7] 4H2O through an intermediate, liquid-like phase, wherein the coordination number of the uranyl ion is reduced to 5 (from 6 in the anhydrous struc- ture), and a water molecule binds as an equatorial ligand to the uranyl ion. Quasielas- tic neutron scattering results compare well with previous measurements of mineral hydrates. The two groups of structurally distinct water molecules in D perform re- stricted motion on a length scale commensurate with the O{H bond (r = 0.92 A). The more tightly bound equatorial ligand waters rotate slower (Dr = 2.2 ps-1) than their hydrogen-bonded partners (Dr = 28.7 ps-1).

  5. Structural Phase Transitions and Water Dynamics in Uranyl Fluoride Hydrates

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Miskowiec, Andrew J.; Kirkegaard, Marie C.; Huq, Ashfia; Mamontov, Eugene; Herwig, Kenneth W.; Trowbridge, Lee D.; Rondinone, Adam Justin; Anderson, Brian B.

    2015-11-17

    We report a novel production method for uranium oxy uoride [(UO2)7F14(H2O)7] 4H2O, referred to as structure D. Structure D is produced as a product of hydrating anhydrous uranyl uoride, UO2F2, through the gas phase at ambient temperatures fol- lowed by desiccation by equilibration with a dry environment. We follow the structure of [(UO2)7F14(H2O)7] 4H2O through an intermediate, liquid-like phase, wherein the coordination number of the uranyl ion is reduced to 5 (from 6 in the anhydrous struc- ture), and a water molecule binds as an equatorial ligand to the uranyl ion. Quasielas- tic neutron scattering results compare well with previousmore » measurements of mineral hydrates. The two groups of structurally distinct water molecules in D perform re- stricted motion on a length scale commensurate with the O{H bond (r = 0.92 A). The more tightly bound equatorial ligand waters rotate slower (Dr = 2.2 ps-1) than their hydrogen-bonded partners (Dr = 28.7 ps-1).« less

  6. FINAL REPORT: An Investigation of the Microphysical, Radiative, and Dynamical Properties of Mixed-Phase Clouds

    SciTech Connect (OSTI)

    Shupe, Matthew D

    2007-10-01

    This final report summarizes the major accomplishments and products resulting from a three-year grant funded by the DOE, Office of Science, Atmospheric Radiation Measurement Program titled: An Investigation of the Microphysical, Radiative, and Dynamical Properties of Mixed-Phase Clouds. Accomplishments are listed under the following subcategories: Mixed-phase cloud retrieval method development; Mixed-phase cloud characterization; ARM mixed-phase cloud retrieval review; and New ARM MICROBASE product. In addition, lists are provided of service to the Atmospheric Radiation Measurement Program, data products provided to the broader research community, and publications resulting from this grant.

  7. Space and time renormalization in phase transition dynamics

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Francuz, Anna; Dziarmaga, Jacek; Gardas, Bartłomiej; Zurek, Wojciech H.

    2016-02-18

    Here, when a system is driven across a quantum critical point at a constant rate, its evolution must become nonadiabatic as the relaxation time τ diverges at the critical point. According to the Kibble-Zurek mechanism (KZM), the emerging post-transition excited state is characterized by a finite correlation length ξˆ set at the time tˆ=τˆ when the critical slowing down makes it impossible for the system to relax to the equilibrium defined by changing parameters. This observation naturally suggests a dynamical scaling similar to renormalization familiar from the equilibrium critical phenomena. We provide evidence for such KZM-inspired spatiotemporal scaling by investigatingmore » an exact solution of the transverse field quantum Ising chain in the thermodynamic limit.« less

  8. Performance monitoring for new phase dynamic optimization of instruction dispatch cluster configuration

    DOE Patents [OSTI]

    Balasubramonian, Rajeev; Dwarkadas, Sandhya; Albonesi, David

    2012-01-24

    In a processor having multiple clusters which operate in parallel, the number of clusters in use can be varied dynamically. At the start of each program phase, the configuration option for an interval is run to determine the optimal configuration, which is used until the next phase change is detected. The optimum instruction interval is determined by starting with a minimum interval and doubling it until a low stability factor is reached.

  9. Analysis of nanoscale two-phase flow of argon using molecular dynamics

    SciTech Connect (OSTI)

    Verma, Abhishek Kumar; Kumar, Rakesh

    2014-12-09

    Two phase flows through micro and nanochannels have attracted a lot of attention because of their immense applicability to many advanced fields such as MEMS/NEMS, electronic cooling, bioengineering etc. In this work, a molecular dynamics simulation method is employed to study the condensation process of superheated argon vapor force driven flow through a nanochannel combining fluid flow and heat transfer. A simple and effective particle insertion method is proposed to model phase change of argon based on non-periodic boundary conditions in the simulation domain. Starting from a crystalline solid wall of channel, the condensation process evolves from a transient unsteady state where we study the influence of different wall temperatures and fluid wall interactions on interfacial and heat transport properties of two phase flows. Subsequently, we analyzed transient temperature, density and velocity fields across the channel and their dependency on varying wall temperature and fluid wall interaction, after a dynamic equilibrium is achieved in phase transition. Quasi-steady nonequilibrium temperature profile, heat flux and interfacial thermal resistance were analyzed. The results demonstrate that the molecular dynamics method, with the proposed particle insertion method, effectively solves unsteady nonequilibrium two phase flows at nanoscale resolutions whose interphase between liquid and vapor phase is typically of the order of a few molecular diameters.

  10. Nanoscopic dynamics of phospholipid in unilamellar vesicles: Effect of gel to fluid phase transition

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Sharma, V. K.; Mamontov, E.; Anunciado, D. B.; O’Neill, H.; Urban, V.

    2015-03-04

    Dynamics of phospholipids in unilamellar vesicles (ULV) is of interest in biology, medical, and food sciences since these molecules are widely used as biocompatible agents and a mimic of cell membrane systems. We have investigated the nanoscopic dynamics of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) phospholipid in ULV as a function of temperature using elastic and quasielastic neutron scattering (QENS). The dependence of the signal on the scattering momentum transfer, which is a critical advantage of neutron scattering techniques, allows the detailed analysis of the lipid motions that cannot be carried out by other means. In agreement with a differential scanning calorimetry measurement, amore » sharp rise in the elastic scattering intensity below ca. 296 K indicates a phase transition from the high-temperature fluid phase to the low-temperature solid gel phase. The microscopic lipid dynamics exhibits qualitative differences between the solid gel phase (in a measurement at 280 K) and the fluid phase (in a measurement at a physiological temperature of 310 K). The data analysis invariably shows the presence of two distinct motions: the whole lipid molecule motion within a monolayer, or lateral diffusion, and the relatively faster internal motion of the DMPC molecule. The lateral diffusion of the whole lipid molecule is found to be Fickian in character, whereas the internal lipid motions are of localized character, consistent with the structure of the vesicles. The lateral motion slows down by an order of magnitude in the solid gel phase, whereas for the internal motion not only the time scale, but also the character of the motion changes upon the phase transition. In the solid gel phase, the lipids are more ordered and undergo uniaxial rotational motion. However, in the fluid phase, the hydrogen atoms of the lipid tails undergo confined translation diffusion rather than uniaxial rotational diffusion. The localized translational diffusion of the hydrogen

  11. Nanoscopic Dynamics of Phospholipid in Unilamellar Vesicles: Effect of Gel to Fluid Phase Transition

    SciTech Connect (OSTI)

    Sharma, Veerendra K [ORNL; Mamontov, Eugene [ORNL; Anunciado, Divina B [ORNL; O'Neill, Hugh Michael [ORNL; Urban, Volker S [ORNL

    2015-01-01

    Dynamics of phospholipids in unilamellar vesicles (ULV) is of interest in biology, medical, and food sciences since these molecules are widely used as biocompatible agents and a mimic of cell membrane systems. We have investigated the nanoscopic dynamics of 1,2-dimyristoyl-sn-glycero-3-phosphocholine (DMPC) phospholipid in ULV as a function of temperature using elastic and quasielastic neutron scattering (QENS). The dependence of the signal on the scattering momentum transfer, which is a critical advantage of neutron scattering techniques, allows the detailed analysis of the lipid motions that cannot be carried out by other means. In agreement with a differential scanning calorimetry measurement, a sharp rise in the elastic scattering intensity below ca. 296 K indicates a phase transition from the high-temperature fluid phase to the low-temperature solid gel phase. The microscopic lipid dynamics exhibits qualitative differences between the solid gel phase (in a measurement at 280 K) and the fluid phase (in a measurement at a physiological temperature of 310 K). The data analysis invariably shows the presence of two distinct motions: the whole lipid molecule motion within a monolayer, or lateral diffusion, and the relatively faster internal motion of the DMPC molecule. The lateral diffusion of the whole lipid molecule is found to be Fickian in character, whereas the internal lipid motions are of localized character, consistent with the structure of the vesicles. The lateral motion slows down by an order of magnitude in the solid gel phase, whereas for the internal motion not only the time scale, but also the character of the motion changes upon the phase transition. In the solid gel phase, the lipids are more ordered and undergo uniaxial rotational motion. However, in the fluid phase, the hydrogen atoms of the lipid tails undergo confined translation diffusion rather than uniaxial rotational diffusion. The localized translational diffusion of the hydrogen atoms of

  12. Dynamical generation of phase-squeezed states in two-component Bose-Einstein condensates

    SciTech Connect (OSTI)

    Jin, G. R.; An, Y.; Yan, T.; Lu, Z. S. [Department of Physics, Beijing Jiaotong University, Beijing 100044 (China)

    2010-12-15

    As an ''input'' state of a linear (Mach-Zehnder or Ramsey) interferometer, the phase-squeezed state proposed by Berry and Wiseman exhibits the best sensitivity approaching to the Heisenberg limit [Phys. Rev. Lett. 85, 5098 (2000)]. Similar with the Berry and Wiseman's state, we find that two kinds of phase-squeezed states can be generated dynamically with atomic Bose-Einstein condensates confined in a symmetric double-well potential, which shows squeezing along spin operator S{sub y} and antisqueezing along S{sub z}, leading to subshot-noise phase estimation.

  13. DYNAMIC MODELING STRATEGY FOR FLOW REGIME TRANSITION IN GAS-LIQUID TWO-PHASE FLOWS

    SciTech Connect (OSTI)

    X. Wang; X. Sun; H. Zhao

    2011-09-01

    In modeling gas-liquid two-phase flows, the concept of flow regime has been used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are often flow regime dependent. Currently, the determination of the flow regimes is primarily based on flow regime maps or transition criteria, which are developed for steady-state, fully-developed flows and widely applied in nuclear reactor system safety analysis codes, such as RELAP5. As two-phase flows are observed to be dynamic in nature (fully-developed two-phase flows generally do not exist in real applications), it is of importance to model the flow regime transition dynamically for more accurate predictions of two-phase flows. The present work aims to develop a dynamic modeling strategy for determining flow regimes in gas-liquid two-phase flows through the introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation and destruction of the interfacial area, such as the fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation; and fluid particle coalescence and condensation, respectively. For the flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shape (which are correlated), namely small bubbles and large bubbles. A preliminary approach to dynamically identifying the flow regimes is provided, in which discriminators are based on the predicted information, such as the void fraction and interfacial area concentration of small bubble and large bubble groups. This method is expected to be applied to computer codes to improve their predictive capabilities of gas-liquid two-phase flows, in particular for the applications in

  14. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

    SciTech Connect (OSTI)

    Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; Shpyrko, O. G.

    2015-12-11

    Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surface layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.

  15. Avalanching strain dynamics during the hydriding phase transformation in individual palladium nanoparticles

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ulvestad, A.; Welland, M. J.; Collins, S. S. E.; Harder, R.; Maxey, E.; Wingert, J.; Singer, A.; Hy, S.; Mulvaney, P.; Zapol, P.; et al

    2015-12-11

    Phase transitions in reactive environments are crucially important in energy and information storage, catalysis and sensors. Nanostructuring active particles can yield faster charging/ discharging kinetics, increased lifespan and record catalytic activities. However, establishing the causal link between structure and function is challenging for nanoparticles, as ensemble measurements convolve intrinsic single-particle properties with sample diversity. Here we study the hydriding phase transformation in individual palladium nanocubes in situ using coherent X-ray diffractive imaging. The phase transformation dynamics, which involve the nucleation and propagation of a hydrogen-rich region, are dependent on absolute time (aging) and involve intermittent dynamics (avalanching). A hydrogen-rich surfacemore » layer dominates the crystal strain in the hydrogen-poor phase, while strain inversion occurs at the cube corners in the hydrogen-rich phase. A three-dimensional phase-field model is used to interpret the experimental results. In conclusion, our experimental and theoretical approach provides a general framework for designing and optimizing phase transformations for single nanocrystals in reactive environments.« less

  16. Dynamic characterization of crystalline and glass phases of deuterated 1,1,2,2 tetrachloroethane

    SciTech Connect (OSTI)

    Pérez, Silvina C. Zuriaga, Mariano Serra, Pablo Wolfenson, Alberto; Negrier, Philippe; Tamarit, Josep Lluis

    2015-10-07

    A thorough characterization of the γ, β, and glass phases of deuterated 1,1,2,2 tetrachloroethane (C{sub 2}D{sub 2}Cl{sub 4}) via nuclear quadrupole resonance and Molecular Dynamic Simulations (MDSs) is reported. The presence of molecular reorientations was experimentally observed in the glass phase and in the β phase. In the β phase, and from MDS, these reorientations are attributed to two possible movements, i.e., a 180°  reorientation around the C{sub 2} molecular symmetry axis and a reorientation of the molecule between two non-equivalent positions. In the glass phase, the spin-lattice relaxation time T{sub 1} is of the order of 16 times lower than in the crystalline phase and varies as T{sup −1} below 100 K in good agreement with the strong quadrupolar relaxation observed in amorphous materials and in the glassy state of molecular organic systems. The activation energy of molecular reorientations in the glass phase (19 kJ/mol) is comparable to that observed in the glassy crystal of a “molecular cousin” compound, Freon 112 (C{sub 2}F{sub 2}Cl{sub 4}), for the secondary β-relaxation. Moreover, the on-site orientational motion of tetrachloroethane molecules offers a new indirect evidence of the prominent role of such orientational disorder in glassy dynamics.

  17. Empirical signatures of quantum phase transitions and universal properties of critical point descriptions and dynamical symmetries

    SciTech Connect (OSTI)

    Casten, R. F.; Bonatsos, Dennis; McCutchan, E. A.

    2009-01-28

    Recently, a new signature for quantum phase transitional regions has been discussed. This signature, based on degeneracies of yrast and intrinsic excitations, can distinguish first and second order phase transitions, and is valid not only at or near the analytic critical points described by X(5) and E(5), but along the phase transitional line connecting them as well. In addition, a study of a number of recent analytic solutions to the Bohr Hamiltonian and of the dynamical symmetries of the IBA Hamiltonian has revealed a set of extremely simple and general analytic formulas that describe the energies of 0{sup +} states. For the case of flat-bottomed geometrical potentials, the formula depends solely on the number of relevant dimensions. For the IBA (large boson number limit) a single formula describes all three dynamical symmetries.

  18. Integrability and nonintegrability of quantum systems. II. Dynamics in quantum phase space

    SciTech Connect (OSTI)

    Zhang, Weimin (Department of Physics, FM-15, University of Washington, Seattle, WA (USA) Department of Physics and Atmospheric Science, Drexel University, Philadelphia, PA (USA)); Feng, D.H.; Yuan, Jianmin (Department of Physics and Atmospheric Science, Drexel University, Philadelphia, PA (USA))

    1990-12-15

    Based on the concepts of integrability and nonintegrability of a quantum system presented in a previous paper (Zhang, Feng, Yuan, and Wang, Phys. Rev. A 40, 438 (1989)), a realization of the dynamics in the quantum phase space is now presented. For a quantum system with dynamical group {ital G-script} and in one of its unitary irreducible-representation carrier spaces {ital h-german}{sub {Lambda}}, the quantum phase space is a 2{ital M}{sub {Lambda}}-dimensional topological space, where {ital M}{sub {Lambda}} is the quantum-dynamical degrees of freedom. This quantum phase space is isomorphic to a coset space {ital G-script}/{ital H-script} via the unitary exponential mapping of the elementary excitation operator subspace of {ital g-script} (algebra of {ital G-script}), where {ital H-script} ({contained in}{ital G-script}) is the maximal stability subgroup of a fixed state in {ital h-german}{sub {Lambda}}. The phase-space representation of the system is realized on {ital G-script}/{ital H-script}, and its classical analogy can be obtained naturally. It is also shown that there is consistency between quantum and classical integrability. Finally, a general algorithm for seeking the manifestation of quantum chaos'' via the classical analogy is provided. Illustrations of this formulation in several important quantum systems are presented.

  19. Dynamic Modeling Strategy for Flow Regime Transition in Gas-Liquid Two-Phase Flows

    SciTech Connect (OSTI)

    Xia Wang; Xiaodong Sun; Benjamin Doup; Haihua Zhao

    2012-12-01

    In modeling gas-liquid two-phase flows, the concept of flow regimes has been widely used to characterize the global interfacial structure of the flows. Nearly all constitutive relations that provide closures to the interfacial transfers in two-phase flow models, such as the two-fluid model, are flow regime dependent. Current nuclear reactor safety analysis codes, such as RELAP5, classify flow regimes using flow regime maps or transition criteria that were developed for steady-state, fully-developed flows. As twophase flows are dynamic in nature, it is important to model the flow regime transitions dynamically to more accurately predict the two-phase flows. The present work aims to develop a dynamic modeling strategy to determine flow regimes in gas-liquid two-phase flows through introduction of interfacial area transport equations (IATEs) within the framework of a two-fluid model. The IATE is a transport equation that models the interfacial area concentration by considering the creation of the interfacial area, fluid particle (bubble or liquid droplet) disintegration, boiling and evaporation, and the destruction of the interfacial area, fluid particle coalescence and condensation. For flow regimes beyond bubbly flows, a two-group IATE has been proposed, in which bubbles are divided into two groups based on their size and shapes, namely group-1 and group-2 bubbles. A preliminary approach to dynamically identify the flow regimes is discussed, in which discriminator s are based on the predicted information, such as the void fraction and interfacial area concentration. The flow regime predicted with this method shows good agreement with the experimental observations.

  20. Phase dynamics after connection of two separate Bose-Einstein condensates

    SciTech Connect (OSTI)

    Zapata, I.; Sols, F.; Leggett, A.J.

    2003-02-01

    We study the dynamics of the relative phase following the connection of the two independently formed Bose-Einstein condensates. Dissipation is assumed to be due to the creation of quasiparticles induced by a fluctuating condensate particle number. The coherence between different values of the phase, which is characteristic of the initial Fock state, is quickly lost after the net exchange of a few atoms has taken place. This process effectively measures the phase and marks the onset of a semiclassical regime in which the system undergoes Bloch oscillations around the initial particle number. These fast oscillations excite quasiparticles within each condensate and the system relaxes at a longer time scale until it displays low-energy, damped, Josephson plasma oscillations, eventually coming to a halt when the equilibrium configuration is finally reached.

  1. Phase-field investigation on the non-equilibrium interface dynamics of rapid alloy solidification

    SciTech Connect (OSTI)

    Choi, Jeong

    2011-08-15

    The research program reported here is focused on critical issues that represent conspicuous gaps in current understanding of rapid solidification, limiting our ability to predict and control microstructural evolution (i.e. morphological dynamics and microsegregation) at high undercooling, where conditions depart significantly from local equilibrium. More specifically, through careful application of phase-field modeling, using appropriate thin-interface and anti-trapping corrections and addressing important details such as transient effects and a velocity-dependent (i.e. adaptive) numerics, the current analysis provides a reasonable simulation-based picture of non-equilibrium solute partitioning and the corresponding oscillatory dynamics associated with single-phase rapid solidification and show that this method is a suitable means for a self-consistent simulation of transient behavior and operating point selection under rapid growth conditions. Moving beyond the limitations of conventional theoretical/analytical treatments of non-equilibrium solute partitioning, these results serve to substantiate recent experimental findings and analytical treatments for single-phase rapid solidification. The departure from the equilibrium solid concentration at the solid-liquid interface was often observed during rapid solidification, and the energetic associated non-equilibrium solute partitioning has been treated in detail, providing possible ranges of interface concentrations for a given growth condition. Use of these treatments for analytical description of specific single-phase dendritic and cellular operating point selection, however, requires a model for solute partitioning under a given set of growth conditions. Therefore, analytical solute trapping models which describe the chemical partitioning as a function of steady state interface velocities have been developed and widely utilized in most of the theoretical investigations of rapid solidification. However, these

  2. Ab initio molecular dynamics simulation of pressure-induced phase transformation of BeO

    SciTech Connect (OSTI)

    Xiao, H. Y.; Duan, G.; Zu, X. T.; Weber, W. J.

    2011-05-05

    Ab initio molecular dynamics (MD) method has been used to study high pressure-induced phase transformation in BeO based on the local density approximation (LDA) and the generalized gradient approximation (GGA). Both methods show that the wurtzite (WZ) and zinc blende (ZB) BeO transforms to the rocksalt (RS) structure smoothly at high pressure. The transition pressures obtained from the LDA method are about 40 GPa larger than the GGA result for both WZ ? RS and ZB ? RS phase transformations, and the phase transformation mechanisms revealed by the LDA and GGA methods are different. For WZ ? RS phase transformations both mechanisms obtained from the LDA and GGA methods are not comparable to the previous ab initio MD simulations of WZ BeO at 700 GPa based on the GGA method. It is suggested that the phase transformation mechanisms of BeO revealed by the ab initio MD simulations are affected remarkably by the exchangecorrelation functional employed and the way of applying pressure.

  3. Liquid phase fluid dynamic (methanol) run in the LaPorte alternative fuels development unit

    SciTech Connect (OSTI)

    Bharat L. Bhatt

    1997-05-01

    A fluid dynamic study was successfully completed in a bubble column at DOE's Alternative Fuels Development Unit (AFDU) in LaPorte, Texas. Significant fluid dynamic information was gathered at pilot scale during three weeks of Liquid Phase Methanol (LPMEOJP) operations in June 1995. In addition to the usual nuclear density and temperature measurements, unique differential pressure data were collected using Sandia's high-speed data acquisition system to gain insight on flow regime characteristics and bubble size distribution. Statistical analysis of the fluctuations in the pressure data suggests that the column was being operated in the churn turbulent regime at most of the velocities considered. Dynamic gas disengagement experiments showed a different behavior than seen in low-pressure, cold-flow work. Operation with a superficial gas velocity of 1.2 ft/sec was achieved during this run, with stable fluid dynamics and catalyst performance. Improvements included for catalyst activation in the design of the Clean Coal III LPMEOH{trademark} plant at Kingsport, Tennessee, were also confirmed. In addition, an alternate catalyst was demonstrated for LPMEOH{trademark}.

  4. Dynamical bifurcation as a semiclassical counterpart of a quantum phase transition

    SciTech Connect (OSTI)

    Buonsante, P.; Vezzani, A.

    2011-12-15

    We illustrate how dynamical transitions in nonlinear semiclassical models can be recognized as phase transitions in the corresponding--inherently linear--quantum model, where, in a statistical-mechanics framework, the thermodynamic limit is realized by letting the particle population go to infinity at fixed size. We focus on lattice bosons described by the Bose-Hubbard (BH) model and discrete self-trapping (DST) equations at the quantum and semiclassical levels, respectively. After showing that the Gaussianity of the quantum ground states is broken at the phase transition, we evaluate finite-population effects by introducing a suitable scaling hypothesis; we work out the exact value of the critical exponents and provide numerical evidence confirming our hypothesis. Our analytical results rely on a general scheme obtained from a large-population expansion of the eigenvalue equation of the BH model. In this approach the DST equations resurface as solutions of the zeroth-order problem.

  5. Dynamic density field measurements of an explosively driven ????? phase transition in iron

    SciTech Connect (OSTI)

    Hull, L. M.; Gray, G. T.; Warthen, B. J.

    2014-07-28

    We provide a unique set of observations of the behavior of the ??? phase transition under a complex axially symmetric loading path created by sweeping a detonation wave along the end surface of a cylindrical sample. The primary data sets are the measured mass density distributions acquired at 5 independent times during the sweep of the detonation along the surface. Shocked regions and boundaries are measured, as well as regions and boundaries of elevated density (presumed to be the ??phase iron). The formation and dynamics of these regions were captured and are available for comparisons to material descriptions. We also applied 16 Photon Doppler Velocimetry probes to capture the free surface velocity along a discrete set of radially distributed points in order to compare and correlate the density measurements with previous shock wave studies. The velocimetry data are in nearly exact agreement with previous shock wave studies of the ??? phase transition, the density distributions, while generally in agreement with expectations evolved from the shock wave studies, show that the epsilon phase is generated in regions of high shear stress but at hydrostatic stresses below the typically quoted 13?GPa value. The density field measurements are particularly useful for observing the effects of the forward and reverse transformation kinetics, as well as the reverse transformation hysteresis.

  6. Dynamical and phase behavior of a phospholipid membrane altered by an antimicrobial peptide at low concentration

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mamontov, Eugene; Tyagi, M.; Qian, Shuo; Rai, Durgesh K.; Urban, Volker S.; Sharma, V. K.

    2016-05-27

    Here we discuss that the mechanism of action of antimicrobial peptides is traditionally attributed to the formation of pores in the lipid cell membranes of pathogens, which requires a substantial peptide to lipid ratio. However, using incoherent neutron scattering, we show that even at a concentration too low for pore formation, an archetypal antimicrobial peptide, melittin, disrupts the regular phase behavior of the microscopic dynamics in a phospholipid membrane, dimyristoylphosphatidylcholine (DMPC). At the same time, another antimicrobial peptide, alamethicin, does not exert a similar effect on the DMPC microscopic dynamics. The melittin-altered lateral motion of DMPC at physiological temperature nomore » longer resembles the fluid-phase behavior characteristic of functional membranes of the living cells. The disruptive effect demonstrated by melittin even at low concentrations reveals a new mechanism of antimicrobial action relevant in more realistic scenarios, when peptide concentration is not as high as would be required for pore formation, which may facilitate treatment with antimicrobial peptides.« less

  7. Computational Particle Dynamic Simulations on Multicore Processors (CPDMu) Final Report ?? Phase I

    SciTech Connect (OSTI)

    Mark S. Schmalz

    2011-07-24

    Statement of Problem - Department of Energy has many legacy codes for simulation of computational particle dynamics and computational fluid dynamics applications that are designed to run on sequential processors and are not easily parallelized. Emerging high-performance computing architectures employ massively parallel multicore architectures (e.g., graphics processing units) to increase throughput. Parallelization of legacy simulation codes is a high priority, to achieve compatibility, efficiency, accuracy, and extensibility. General Statement of Solution - A legacy simulation application designed for implementation on mainly-sequential processors has been represented as a graph G. Mathematical transformations, applied to G, produce a graph representation {und G} for a high-performance architecture. Key computational and data movement kernels of the application were analyzed/optimized for parallel execution using the mapping G {yields} {und G}, which can be performed semi-automatically. This approach is widely applicable to many types of high-performance computing systems, such as graphics processing units or clusters comprised of nodes that contain one or more such units. Phase I Accomplishments - Phase I research decomposed/profiled computational particle dynamics simulation code for rocket fuel combustion into low and high computational cost regions (respectively, mainly sequential and mainly parallel kernels), with analysis of space and time complexity. Using the research team's expertise in algorithm-to-architecture mappings, the high-cost kernels were transformed, parallelized, and implemented on Nvidia Fermi GPUs. Measured speedups (GPU with respect to single-core CPU) were approximately 20-32X for realistic model parameters, without final optimization. Error analysis showed no loss of computational accuracy. Commercial Applications and Other Benefits - The proposed research will constitute a breakthrough in solution of problems related to efficient

  8. First principles analysis of lattice dynamics for Fe-based superconductors and entropically-stabilized phases

    SciTech Connect (OSTI)

    Hahn, Steven

    2012-07-20

    Modern calculations are becoming an essential, complementary tool to inelastic x-ray scattering studies, where x-rays are scattered inelastically to resolve meV phonons. Calculations of the inelastic structure factor for any value of Q assist in both planning the experiment and analyzing the results. Moreover, differences between the measured data and theoretical calculations help identify important new physics driving the properties of novel correlated systems. We have used such calculations to better and more e#14;ciently measure the phonon dispersion and elastic constants of several iron pnictide superconductors. This dissertation describes calculations and measurements at room temperature in the tetragonal phase of CaFe{sub 2}As{sub 2} and LaFeAsO. In both cases, spin-polarized calculations imposing the antiferromagnetic order present in the low-temperature orthorhombic phase dramatically improves the agreement between theory and experiment. This is discussed in terms of the strong antiferromagnetic correlations that are known to persist in the tetragonal phase. In addition, we discuss a relatively new approach called self-consistent ab initio lattice dynamics (SCAILD), which goes beyond the harmonic approximation to include phonon-phonon interactions and produce a temperature-dependent phonon dispersion. We used this technique to study the HCP to BCC transition in beryllium.

  9. Dynamic and spectroscopic characteristics of atmospheric gliding arc in gas-liquid two-phase flow

    SciTech Connect (OSTI)

    Tu, X.; Yu, L.; Yan, J. H.; Cen, K. F.; Cheron, B. G.

    2009-11-15

    In this study, an atmospheric alternating-current gliding arc device in gas-liquid two-phase flow has been developed for the purpose of waste water degradation. The dynamic behavior of the gas-liquid gliding arc is investigated through the oscillations of electrical signals, while the spatial evolution of the arc column is analyzed by high speed photography. Different arc breakdown regimes are reported, and the restrike mode is identified as the typical fluctuation characteristic of the hybrid gliding arc in air-water mixture. Optical emission spectroscopy is employed to investigate the active species generated in the gas-liquid plasma. The axial evolution of the OH (309 nm) intensity is determined, while the rotational and vibrational temperatures of the OH are obtained by a comparison between the experimental and simulated spectra. The significant discrepancy between the rotational and translational temperatures has also been discussed.

  10. Geometric phase effects in low-energy dynamics near conical intersections: A study of the multidimensional linear vibronic coupling model

    SciTech Connect (OSTI)

    Joubert-Doriol, Loc; Ryabinkin, Ilya G.; Izmaylov, Artur F.; Chemical Physics Theory Group, Department of Chemistry, University of Toronto, Toronto, Ontario M5S 3H6

    2013-12-21

    In molecular systems containing conical intersections (CIs), a nontrivial geometric phase (GP) appears in the nuclear and electronic wave functions in the adiabatic representation. We study GP effects in nuclear dynamics of an N-dimensional linear vibronic coupling (LVC) model. The main impact of GP on low-energy nuclear dynamics is reduction of population transfer between the local minima of the LVC lower energy surface. For the LVC model, we proposed an isometric coordinate transformation that confines non-adiabatic effects within a two-dimensional subsystem interacting with an N ? 2 dimensional environment. Since environmental modes do not couple electronic states, all GP effects originate from nuclear dynamics within the subsystem. We explored when the GP affects nuclear dynamics of the isolated subsystem, and how the subsystem-environment interaction can interfere with GP effects. Comparing quantum dynamics with and without GP allowed us to devise simple rules to determine significance of the GP for nuclear dynamics in this model.

  11. When do we need to account for the geometric phase in excited state dynamics?

    SciTech Connect (OSTI)

    Ryabinkin, Ilya G.; Joubert-Doriol, Loc; Izmaylov, Artur F.

    2014-06-07

    We investigate the role of the geometric phase (GP) in an internal conversion process when the system changes its electronic state by passing through a conical intersection (CI). Local analysis of a two-dimensional linear vibronic coupling (LVC) model Hamiltonian near the CI shows that the role of the GP is twofold. First, it compensates for a repulsion created by the so-called diagonal BornOppenheimer correction. Second, the GP enhances the non-adiabatic transition probability for a wave-packet part that experiences a central collision with the CI. To assess the significance of both GP contributions we propose two indicators that can be computed from parameters of electronic surfaces and initial conditions. To generalize our analysis to N-dimensional systems we introduce a reduction of a general N-dimensional LVC model to an effective 2D LVC model using a mode transformation that preserves short-time dynamics of the original N-dimensional model. Using examples of the bis(methylene) adamantyl and butatriene cations, and the pyrazine molecule we have demonstrated that their effective 2D models reproduce the short-time dynamics of the corresponding full dimensional models, and the introduced indicators are very reliable in assessing GP effects.

  12. Dynamical mean-field theory and weakly non-linear analysis for the phase separation of active Brownian particles

    SciTech Connect (OSTI)

    Speck, Thomas; Menzel, Andreas M.; Bialké, Julian; Löwen, Hartmut

    2015-06-14

    Recently, we have derived an effective Cahn-Hilliard equation for the phase separation dynamics of active Brownian particles by performing a weakly non-linear analysis of the effective hydrodynamic equations for density and polarization [Speck et al., Phys. Rev. Lett. 112, 218304 (2014)]. Here, we develop and explore this strategy in more detail and show explicitly how to get to such a large-scale, mean-field description starting from the microscopic dynamics. The effective free energy emerging from this approach has the form of a conventional Ginzburg-Landau function. On the coarsest scale, our results thus agree with the mapping of active phase separation onto that of passive fluids with attractive interactions through a global effective free energy (motility-induced phase transition). Particular attention is paid to the square-gradient term necessary for the phase separation kinetics. We finally discuss results from numerical simulations corroborating the analytical results.

  13. ANGLE Plc | Open Energy Information

    Open Energy Info (EERE)

    ANGLE Plc Jump to: navigation, search Name: ANGLE Plc Place: United Kingdom Sector: Services Product: General Financial & Legal Services ( Quoted company ) References: ANGLE Plc1...

  14. Metallic phase-change materials for solar dynamic energy storage systems

    SciTech Connect (OSTI)

    Lauf, R.J.; Hamby, C. Jr.

    1990-12-01

    Solar (thermal) dynamic power systems for satellites require a heat storage system that is capable of operating the engine during eclipse. The conventional approach to this thermal storage problem is to use the latent heat of fluoride salts, which would melt during insolation and freeze during eclipse. Although candidate fluorides have large heats of fusion per unit mass, their poor thermal conductivity limits the rate at which energy can be transferred to and from the storage device. System performance is further limited by the high parasitic mass of the superalloy canisters needed to contain the salt. This report describes a new thermal storage system in which the phase-change material (PCM) is a metal (typically germanium) contained in modular graphite canisters. These modules exhibit good thermal conductivity and low parasitic mass, and they are physically and chemically stable. Prototype modules have survived over 600 melt/freeze cycles without degradation. Advanced concepts to further improve performance are described. These concepts include the selection of ternary eutectic alloys to provide a wider range of useful melting temperatures and the use of infiltration to control the location of liquid alloy and to compensate for differences in thermal expansion. 13 refs., 18 figs.

  15. Phase matching of high order harmonic generation using dynamic phase modulation caused by a non-collinear modulation pulse

    DOE Patents [OSTI]

    Cohen, Oren; Kapteyn, Henry C.; Mumane, Margaret M.

    2010-02-16

    Phase matching high harmonic generation (HHG) uses a single, long duration non-collinear modulating pulse intersecting the driving pulse. A femtosecond driving pulse is focused into an HHG medium (such as a noble gas) to cause high-harmonic generation (HHG), for example in the X-ray region of the spectrum, via electrons separating from and recombining with gas atoms. A non-collinear pulse intersects the driving pulse within the gas, and modulates the field seen by the electrons while separated from their atoms. The modulating pulse is low power and long duration, and its frequency and amplitude is chosen to improve HHG phase matching by increasing the areas of constructive interference between the driving pulse and the HHG, relative to the areas of destructive interference.

  16. Quasiparticle dynamics across the full Brillouin zone of Bi2Sr2CaCu2O8+δ traced with ultrafast time and angle-resolved photoemission spectroscopy

    SciTech Connect (OSTI)

    Dakovski, Georgi L.; Durakiewicz, Tomasz; Zhu, Jian-Xin; Riseborough, Peter S.; Gu, Genda; Gilbertson, Steve M.; Taylor, Antoinette; Rodriguez, George

    2015-10-12

    A hallmark in the cuprate family of high-temperature superconductors is the nodal-antinodal dichotomy. In this regard, angle-resolved photoemission spectroscopy (ARPES) has proven especially powerful, providing band structure information directly in energy-momentum space. Time-resolved ARPES (trARPES) holds great promise of adding ultrafast temporal information, in an attempt to identify different interaction channels in the time domain. Previous studies of the cuprates using trARPES were handicapped by the low probing energy which significantly limits the accessible momentum space. Using 20.15eV, 12 fs pulses we show for the first time the evolution of quasiparticles in the antinodal region of Bi2Sr2CaCu2O8+δ and demonstrate that nonmonotonic relaxation dynamics dominates above a certain fluence threshold. The dynamics is heavily influenced by transient modification of the electron-phonon interaction and phase space restrictions, in severe contrast to the monotonic relaxation in the nodal and off-nodal regions.

  17. Mesoporous Silica Nanoparticles Loaded with Surfactant: Low Temperature Magic Angle Spinning 13C and 29Si NMR Enhanced by Dynamic Nuclear Polarization

    SciTech Connect (OSTI)

    Lafon, Olivier; Thankamony, Aany S. Lilly; Kokayashi, Takeshi; Carnevale, Diego; Vitzthum, Veronika; Slowing, Igor I.; Kandel, Kapil; Vezin, Herve; Amoureux, Jean-Paul; Bodenhausen, Geoffrey; Pruski, Marek

    2012-12-21

    We show that dynamic nuclear polarization (DNP) can be used to enhance NMR signals of 13C and 29Si nuclei located in mesoporous organic/inorganic hybrid materials, at several hundreds of nanometers from stable radicals (TOTAPOL) trapped in the surrounding frozen disordered water. The approach is demonstrated using mesoporous silica nanoparticles (MSN), functionalized with 3-(N-phenylureido)propyl (PUP) groups, filled with the surfactant cetyltrimethylammonium bromide (CTAB). The DNP-enhanced proton magnetization is transported into the mesopores via 1H1H spin diffusion and transferred to rare spins by cross-polarization, yielding signal enhancements ?on/off of around 8. When the CTAB molecules are extracted, so that the radicals can enter the mesopores, the enhancements increase to ?on/off ? 30 for both nuclei. A quantitative analysis of the signal enhancements in MSN with and without surfactant is based on a one-dimensional proton spin diffusion model. The effect of solvent deuteration is also investigated.

  18. Structural dynamics and ssDNA binding activity of the three N-terminal domains of the large subunit of Replication Protein A from small angle X-ray scattering

    SciTech Connect (OSTI)

    Pretto, Dalyir I.; Tsutakawa, Susan; Brosey, Chris A.; Castillo, Amalchi; Chagot, Marie-Eve; Smith, Jarrod A.; Tainer, John A.; Chazin, Walter J.

    2010-03-11

    Replication Protein A (RPA) is the primary eukaryotic ssDNA binding protein utilized in diverse DNA transactions in the cell. RPA is a heterotrimeric protein with seven globular domains connected by flexible linkers, which enable substantial inter-domain motion that is essential to its function. Small angle X-ray scattering (SAXS) experiments on two multi-domain constructs from the N-terminus of the large subunit (RPA70) were used to examine the structural dynamics of these domains and their response to the binding of ssDNA. The SAXS data combined with molecular dynamics simulations reveal substantial interdomain flexibility for both RPA70AB (the tandem high affinity ssDNA binding domains A and B connected by a 10-residue linker) and RPA70NAB (RPA70AB extended by a 70-residue linker to the RPA70N protein interaction domain). Binding of ssDNA to RPA70NAB reduces the interdomain flexibility between the A and B domains, but has no effect on RPA70N. These studies provide the first direct measurements of changes in orientation of these three RPA domains upon binding ssDNA. The results support a model in which RPA70N remains structurally independent of RPA70AB in the DNA bound state and therefore freely available to serve as a protein recruitment module.

  19. Computational fluid dynamics modeling of two-phase flow in a BWR fuel assembly. Final CRADA Report.

    SciTech Connect (OSTI)

    Tentner, A.; Nuclear Engineering Division

    2009-10-13

    A direct numerical simulation capability for two-phase flows with heat transfer in complex geometries can considerably reduce the hardware development cycle, facilitate the optimization and reduce the costs of testing of various industrial facilities, such as nuclear power plants, steam generators, steam condensers, liquid cooling systems, heat exchangers, distillers, and boilers. Specifically, the phenomena occurring in a two-phase coolant flow in a BWR (Boiling Water Reactor) fuel assembly include coolant phase changes and multiple flow regimes which directly influence the coolant interaction with fuel assembly and, ultimately, the reactor performance. Traditionally, the best analysis tools for this purpose of two-phase flow phenomena inside the BWR fuel assembly have been the sub-channel codes. However, the resolution of these codes is too coarse for analyzing the detailed intra-assembly flow patterns, such as flow around a spacer element. Advanced CFD (Computational Fluid Dynamics) codes provide a potential for detailed 3D simulations of coolant flow inside a fuel assembly, including flow around a spacer element using more fundamental physical models of flow regimes and phase interactions than sub-channel codes. Such models can extend the code applicability to a wider range of situations, which is highly important for increasing the efficiency and to prevent accidents.

  20. Evidence of Photo-induced Dynamic Competition of Metallic and Insulating Phase in a Layered Manganite.

    SciTech Connect (OSTI)

    Li, Yuelin; Walko, Donald A.; Li, Qing'an; Liu, Yaohua; Rosenkranz, Stephan; Zheng, Hong; Mitchell, J. F.

    2015-12-16

    We show evidence that the competition between the antiferromagetic metallic phase and the charge- and orbital-ordered insulating phase at the reentrant phase boundary of a layered manganite, LaSr2Mn2O7, can be manipulated using ultrafast optical excitation. The time- dependent evolution of the Jahn-Teller superlattice reflection, which indicates the formation of the charge and orbital order, was measured at different laser fluences. The laser-induced enhancement and reduction the Jahn-Teller reflection intensity shows a reversal of sign between earlier (~10 ns) and later (~150 ns) time delays during the relaxation after photo excitation. This effect is consistent with a scenario whereby the laser excitation modulates the local competition between the metallic and the insulating phases.

  1. In-situ Monitoring of Dynamic Phenomena during Solidification and Phase Transformation Processing

    SciTech Connect (OSTI)

    Clarke, Amy J.; Cooley, Jason C.; Morris, Christopher; Merrill, Frank E.; Hollander, Brian J.; Mariam, Fesseha G.; Patterson, Brian M.; Imhoff, Seth D.; Lee, Wah Keat; Fezzaa, Kamel; Deriy, Alex; Tucker, Tim J.; Clarke, Kester D.; Field, Robert D.; Thoma, Dan J.; Teter, David F.; Beard, Timothy V.; Hudson, Richard W.; Freibert, Franz J.; Korzekwa, Deniece R.; Farrow, Adam M.; Cross, Carl E.; Mihaila, Bogdan; Lookman, Turab; Hunter, Abigail; Choudhury, Samrat; Karma, Alain; Ott, Thomas J. Jr.; Barker, Martha R.; O'Neill, Finian; Hill, Joshua; Emigh, Megan G.

    2012-07-30

    The purpose of this project is to: (1) Directly observe phase transformations and microstructure evolution using proton (and synchrotron x-ray) radiography and tomography; (2) Constrain phase-field models for microstructure evolution; (3) Experimentally control microstructure evolution during processing to enable co-design; and (4) Advance toward the MaRIE vision. Understand microstructure evolution and chemical segregation during solidification {yields} solid-state transformations in Pu-Ga.

  2. Chemical dynamics in the gas phase: Time-dependent quantum mechanics of chemical reactions

    SciTech Connect (OSTI)

    Gray, S.K.

    1993-12-01

    A major goal of this research is to obtain an understanding of the molecular reaction dynamics of three and four atom chemical reactions using numerically accurate quantum dynamics. This work involves: (i) the development and/or improvement of accurate quantum mechanical methods for the calculation and analysis of the properties of chemical reactions (e.g., rate constants and product distributions), and (ii) the determination of accurate dynamical results for selected chemical systems, which allow one to compare directly with experiment, determine the reliability of the underlying potential energy surfaces, and test the validity of approximate theories. This research emphasizes the use of recently developed time-dependent quantum mechanical methods, i.e. wave packet methods.

  3. Solving kinetic equations with adaptive mesh in phase space for rarefied gas dynamics and plasma physics (Invited)

    SciTech Connect (OSTI)

    Kolobov, Vladimir; Arslanbekov, Robert; Frolova, Anna

    2014-12-09

    The paper describes an Adaptive Mesh in Phase Space (AMPS) technique for solving kinetic equations with deterministic mesh-based methods. The AMPS technique allows automatic generation of adaptive Cartesian mesh in both physical and velocity spaces using a Tree-of-Trees data structure. We illustrate advantages of AMPS for simulations of rarefied gas dynamics and electron kinetics on low temperature plasmas. In particular, we consider formation of the velocity distribution functions in hypersonic flows, particle kinetics near oscillating boundaries, and electron kinetics in a radio-frequency sheath. AMPS provide substantial savings in computational cost and increased efficiency of the mesh-based kinetic solvers.

  4. Dynamic evolution of liquid–liquid phase separation during continuous cooling

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Imhoff, Seth D.; Gibbs, Paul J.; Katz, Martha R.; Ott, Thomas J.; Patterson, Brian M.; Lee, Wah-Keat; Fezzaa, Kamel; Cooley, Jason C.; Clarke, Amy J.

    2015-01-06

    Solidification from a multiphase fluid involves many unknown quantities due to the difficulty of predicting the impact of fluid flow on chemical partitioning. Real-time x-ray radiography was used to observe liquid-liquid phase separation in Al90In10 prior to solidification. Quantitative image analysis was used to measure the motion and population characteristics of the dispersed indium-rich liquid phase during cooling. Here we determine that the droplet growth characteristics resemble well known steady-state coarsening laws with likely enhancement by concurrent growth due to supersaturation. Simplistic views of droplet motion are found to be insufficient until late in the reaction due to a hydrodynamicmore » instability caused by the large density difference between the dispersed and matrix liquid phases.« less

  5. Dynamic evolution of liquid–liquid phase separation during continuous cooling

    SciTech Connect (OSTI)

    Imhoff, Seth D.; Gibbs, Paul J.; Katz, Martha R.; Ott, Thomas J.; Patterson, Brian M.; Lee, Wah-Keat; Fezzaa, Kamel; Cooley, Jason C.; Clarke, Amy J.

    2015-01-06

    Solidification from a multiphase fluid involves many unknown quantities due to the difficulty of predicting the impact of fluid flow on chemical partitioning. Real-time x-ray radiography was used to observe liquid-liquid phase separation in Al90In10 prior to solidification. Quantitative image analysis was used to measure the motion and population characteristics of the dispersed indium-rich liquid phase during cooling. Here we determine that the droplet growth characteristics resemble well known steady-state coarsening laws with likely enhancement by concurrent growth due to supersaturation. Simplistic views of droplet motion are found to be insufficient until late in the reaction due to a hydrodynamic instability caused by the large density difference between the dispersed and matrix liquid phases.

  6. High-order continuum kinetic method for modeling plasma dynamics in phase space

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Vogman, G. V.; Colella, P.; Shumlak, U.

    2014-12-15

    Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,vx,vy) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volumemore » algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,vr,vz) phase space are presented.« less

  7. Study of the nanobubble phase of aqueous NaCl solutions by dynamic light scattering

    SciTech Connect (OSTI)

    Bunkin, N F; Shkirin, A V [A M Prokhorov General Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Burkhanov, I S; Chaikov, L L [P N Lebedev Physics Institute, Russian Academy of Sciences, Moscow (Russian Federation); Lomkova, A K [N.E. Bauman Moscow State Technical University, Moscow (Russian Federation)

    2014-11-30

    Aqueous NaCl solutions with different concentrations have been investigated by dynamic scattering of laser radiation. It is experimentally shown that these solutions contain scattering particles with a wide size distribution in a range of ?10 100 nm. The experimental results indirectly confirm the existence of quasi-stable gas nanobubbles in the bulk of aqueous ionic solutions. (light scattering)

  8. Spatially Resolved Photoexcited Charge-Carrier Dynamics in Phase-Engineered Monolayer MoS2

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Yamaguchi, Hisato; Blancon, Jean-Christophe; Kappera, Rajesh; Lei, Sidong; Najmaei, Sina; Mangum, Benjamin D.; Gupta, Gautam; Ajayan, Pulickel M.; Lou, Jun; Chhowalla, Manish; et al

    2015-01-27

    A fundamental understanding of the intrinsic optoelectronic properties of atomically thin transition metal dichalcogenides (TMDs) is crucial for its integration into high performance semiconductor devices. We investigate the transport properties of chemical vapor deposition (CVD) grown monolayer molybdenum disulfide (MoS2) under photo-excitation using correlated scanning photocurrent microscopy and photoluminescence imaging. We examined the effect of local phase transformation underneath the metal electrodes on the generation of photocurrent across the channel length with diffraction-limited spatial resolution. While maximum photocurrent generation occurs at the Schottky contacts of semiconducting (2H-phase) MoS2, after the metallic phase transformation (1T-phase), the photocurrent peak is observed towardsmore » the center of the device channel, suggesting a strong reduction of native Schottky barriers. Analysis using the bias and position dependence of the photocurrent indicates that the Schottky barrier heights are few meV for 1T- and ~200 meV for 2H-contacted devices. We also demonstrate that a reduction of native Schottky barriers in a 1T device enhances the photo responsivity by more than one order of magnitude, a crucial parameter in achieving high performance optoelectronic devices. The obtained results pave a pathway for the fundamental understanding of intrinsic optoelectronic properties of atomically thin TMDs where Ohmic contacts are necessary for achieving high efficiency devices with low power consumption.« less

  9. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    John A. Schneeloch; Xu, Zhijun; Winn, B.; Stock, C.; Gehring, P. M.; Birgeneau, R. J.; Xu, Guangyong

    2015-12-28

    We report neutron inelastic scattering experiments on single-crystal PbMg1/3Nb2/3O3 doped with 32% PbTiO3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropicmore » field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.« less

  10. Phonon coupling to dynamic short-range polar order in a relaxor ferroelectric near the morphotropic phase boundary

    SciTech Connect (OSTI)

    John A. Schneeloch; Xu, Zhijun; Winn, B.; Stock, C.; Gehring, P. M.; Birgeneau, R. J.; Xu, Guangyong

    2015-12-28

    We report neutron inelastic scattering experiments on single-crystal PbMg1/3Nb2/3O3 doped with 32% PbTiO3, a relaxor ferroelectric that lies close to the morphotropic phase boundary. When cooled under an electric field E∥ [001] into tetragonal and monoclinic phases, the scattering cross section from transverse acoustic (TA) phonons polarized parallel to E weakens and shifts to higher energy relative to that under zero-field-cooled conditions. Likewise, the scattering cross section from transverse optic (TO) phonons polarized parallel to E weakens for energy transfers 4 ≤ ℏω ≤ 9 meV. However, TA and TO phonons polarized perpendicular to E show no change. This anisotropic field response is similar to that of the diffuse scattering cross section, which, as previously reported, is suppressed when polarized parallel to E but not when polarized perpendicular to E. Lastly, our findings suggest that the lattice dynamics and dynamic short-range polar correlations that give rise to the diffuse scattering are coupled.

  11. Three-Phase Unbalanced Transient Dynamics and Powerflow for Modeling Distribution Systems With Synchronous Machines

    SciTech Connect (OSTI)

    Elizondo, Marcelo A.; Tuffner, Francis K.; Schneider, Kevin P.

    2016-01-01

    Unlike transmission systems, distribution feeders in North America operate under unbalanced conditions at all times, and generally have a single strong voltage source. When a distribution feeder is connected to a strong substation source, the system is dynamically very stable, even for large transients. However if a distribution feeder, or part of the feeder, is separated from the substation and begins to operate as an islanded microgrid, transient dynamics become more of an issue. To assess the impact of transient dynamics at the distribution level, it is not appropriate to use traditional transmission solvers, which generally assume transposed lines and balanced loads. Full electromagnetic solvers capture a high level of detail, but it is difficult to model large systems because of the required detail. This paper proposes an electromechanical transient model of synchronous machine for distribution-level modeling and microgrids. This approach includes not only the machine model, but also its interface with an unbalanced network solver, and a powerflow method to solve unbalanced conditions without a strong reference bus. The presented method is validated against a full electromagnetic transient simulation.

  12. Finite temperature spin-dynamics and phase transitions in spin-orbital models

    SciTech Connect (OSTI)

    Chen, C.-C.

    2010-04-29

    We study finite temperature properties of a generic spin-orbital model relevant to transition metal compounds, having coupled quantum Heisenberg-spin and Ising-orbital degrees of freedom. The model system undergoes a phase transition, consistent with that of a 2D Ising model, to an orbitally ordered state at a temperature set by short-range magnetic order. At low temperatures the orbital degrees of freedom freeze-out and the model maps onto a quantum Heisenberg model. The onset of orbital excitations causes a rapid scrambling of the spin spectral weight away from coherent spin-waves, which leads to a sharp increase in uniform magnetic susceptibility just below the phase transition, reminiscent of the observed behavior in the Fe-pnictide materials.

  13. The phase topology of a special case of Goryachev integrability in rigid body dynamics

    SciTech Connect (OSTI)

    Ryabov, P. E.

    2014-07-31

    The phase topology of a special case of Goryachev integrability in the problem of motion of a rigid body in a fluid is investigated using the method of Boolean functions, which was developed by Kharlamov for algebraically separated systems. The bifurcation diagram of the moment map is found and the Fomenko invariant, which classifies the systems up to rough Liouville equivalence, is specified. Bibliography: 15 titles. (paper)

  14. Super energy saver heat pump with dynamic hybrid phase change material

    DOE Patents [OSTI]

    Ally, Moonis Raza [Oak Ridge, TN; Tomlinson, John Jager [Knoxville, TN; Rice, Clifford Keith [Clinton, TN

    2010-07-20

    A heat pump has a refrigerant loop, a compressor in fluid communication with the refrigerant loop, at least one indoor heat exchanger in fluid communication with the refrigerant loop, and at least one outdoor heat exchanger in fluid communication with the refrigerant loop. The at least one outdoor heat exchanger has a phase change material in thermal communication with the refrigerant loop and in fluid communication with an outdoor environment. Other systems, devices, and methods are described.

  15. High-order continuum kinetic method for modeling plasma dynamics in phase space

    SciTech Connect (OSTI)

    Vogman, G. V.; Colella, P.; Shumlak, U.

    2014-12-15

    Continuum methods offer a high-fidelity means of simulating plasma kinetics. While computationally intensive, these methods are advantageous because they can be cast in conservation-law form, are not susceptible to noise, and can be implemented using high-order numerical methods. Advances in continuum method capabilities for modeling kinetic phenomena in plasmas require the development of validation tools in higher dimensional phase space and an ability to handle non-cartesian geometries. To that end, a new benchmark for validating Vlasov-Poisson simulations in 3D (x,vx,vy) is presented. The benchmark is based on the Dory-Guest-Harris instability and is successfully used to validate a continuum finite volume algorithm. To address challenges associated with non-cartesian geometries, unique features of cylindrical phase space coordinates are described. Preliminary results of continuum kinetic simulations in 4D (r,z,vr,vz) phase space are presented.

  16. Anisotropy of the solid–liquid interface properties of the Ni–Zr B33 phase from molecular dynamics simulation

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Wilson, S. R.; Mendelev, M. I.

    2015-01-08

    Solid–liquid interface (SLI) properties of the Ni–Zr B33 phase were determined from molecular dynamics simulations. In order to perform these measurements, a new semi-empirical potential for Ni–Zr alloy was developed that well reproduces the material properties required to model SLIs in the Ni50.0Zr50.0 alloy. In particular, the developed potential is shown to provide that the solid phase emerging from the liquid Ni50.0Zr50.0alloy is B33 (apart from a small fraction of point defects), in agreement with the experimental phase diagram. The SLI properties obtained using the developed potential exhibit an extraordinary degree of anisotropy. It is observed that anisotropies in bothmore » the interfacial free energy and mobility are an order of magnitude larger than those measured to date in any other metallic compound. Moreover, the [0 1 0] interface is shown to play a significant role in the observed anisotropy. Our data suggest that the [0 1 0] interface simultaneously corresponds to the lowest mobility, the lowest free energy and the highest stiffness of all inclinations in B33 Ni–Zr. This finding can be understood by taking into account a rather complicated crystal structure in this crystallographic direction.« less

  17. Dynamic properties of micro-particles in ultrasonic transportation using phase-controllable standing waves

    SciTech Connect (OSTI)

    Jia, Kun; Mei, Deqing Meng, Jianxin; Yang, Keji

    2014-10-28

    Ultrasonic manipulation has become an attractive method for surface-sensitive objects in micro-technology. Related phenomena, such as radiation force, multiple scattering, and acoustic streaming, have been widely studied. However, in current studies, the behavior of micro-particles in potential force fields is always analyzed in a quasi-static manner. We developed a dynamic model of a dilute micro-particle in the commonly used two-dimensional ultrasonic manipulation system to provide a systemic and quantitative analysis of the transient properties of particle movement. In this model, the acoustic streaming and hydrodynamic forces, omitted in previous work, were both considered. The trajectory of a spherical silica particle with different initial conditions was derived by numerically solving the established nonlinear differential integral equation system, which was then validated experimentally. The envelope of the experimental data on the x-axis showed good agreement with the theoretical calculation, and the greater influence on the y-axis of the deviation between the actual sound field and the ideal distribution employed in our dynamic model could account for the differences in displacement in that direction. Finally, the influence of particle size on its movement and the effect of acoustic streaming on calculating the hydrodynamic forces for an isolated particle with motion relative to the fluid were analyzed theoretically. It was found that the ultrasonic manipulation system will translate from an under-damped system to an over-damped system with a decrease in particle size and the micro-scale acoustic streaming velocity was negligible when calculating the hydrodynamic forces on the particle in the ultrasonic manipulation system.

  18. Picosecond dynamics of reactions in the liquid phase: studies of iodine photodissociation and development of new laser techniques

    SciTech Connect (OSTI)

    Berg, M.A.

    1985-09-01

    Iodine photodissociation and recombination was studied as a model for processes common to chemical reaction in the liquid phase. Picosecond transient absorption measurements from 1000 to 295 nm were used to monitor the dynamics in a variety of solvents. Most of the atoms which undergo geminate recombination were found to do so in less than or equal to 15 ps, in agreement with the results of existing molecular dynamics simulations. Vibrational relaxation times vary from approx.15 ps near the middle of the ground state well to approx.150 ps for complete relaxation to v = 0. The prediction of strong resonant vibrational energy transfer to chlorinated methane solvents was not supported, but some evidence for this mechanism was found for alkane solvents. Current theory is unable to explain the large variation (65 to 2700 ps) of the excited A'-state lifetime in various solvents. The 10-Hz amplified, synchronously-pumped dye laser which was used in these studies is described and characterized. SERS (Stimulated Electronic Raman Scattering) and difference frequency mixing were used in the generation of the infrared and far-infrared, respectively. 54 refs., 38 figs., 3 tabs. (WRF)

  19. A molecular dynamics study of nuclear quantum effect on the diffusion of hydrogen in condensed phase

    SciTech Connect (OSTI)

    Nagashima, Hiroki; Tokumasu, Takashi; Tsuda, Shin-ichi; Tsuboi, Nobuyuki; Koshi, Mitsuo; Hayashie, A. Koichi

    2014-10-06

    In this paper, the quantum effect of hydrogen molecule on its diffusivity is analyzed using Molecular Dynamics (MD) method. The path integral centroid MD (CMD) method is applied for the reproduction method of time evolution of the molecules. The diffusion coefficient of liquid hydrogen is calculated using the Green-Kubo method. The simulation is performed at wide temperature region and the temperature dependence of the quantum effect of hydrogen molecule is addressed. The calculation results are compared with those of classical MD results. As a result, it is confirmed that the diffusivity of hydrogen molecule is changed depending on temperature by the quantum effect. It is clarified that this result can be explained that the dominant factor by quantum effect on the diffusivity of hydrogen changes from the swollening the potential to the shallowing the potential well around 30 K. Moreover, it is found that this tendency is related to the temperature dependency of the ratio of the quantum kinetic energy and classical kinetic energy.

  20. Fully-Implicit Orthogonal Reconstructed Discontinuous Galerkin for Fluid Dynamics with Phase Change

    SciTech Connect (OSTI)

    Nourgaliev, R.; Luo, H.; Weston, B.; Anderson, A.; Schofield, S.; Dunn, T.; Delplanque, J. -P.

    2015-11-11

    A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method’s capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing (AM). We focus on the method’s accuracy (in both space and time), as well as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver.

  1. Fully-Implicit Orthogonal Reconstructed Discontinuous Galerkin for Fluid Dynamics with Phase Change

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Nourgaliev, R.; Luo, H.; Weston, B.; Anderson, A.; Schofield, S.; Dunn, T.; Delplanque, J. -P.

    2015-11-11

    A new reconstructed Discontinuous Galerkin (rDG) method, based on orthogonal basis/test functions, is developed for fluid flows on unstructured meshes. Orthogonality of basis functions is essential for enabling robust and efficient fully-implicit Newton-Krylov based time integration. The method is designed for generic partial differential equations, including transient, hyperbolic, parabolic or elliptic operators, which are attributed to many multiphysics problems. We demonstrate the method’s capabilities for solving compressible fluid-solid systems (in the low Mach number limit), with phase change (melting/solidification), as motivated by applications in Additive Manufacturing (AM). We focus on the method’s accuracy (in both space and time), as wellmore » as robustness and solvability of the system of linear equations involved in the linearization steps of Newton-based methods. The performance of the developed method is investigated for highly-stiff problems with melting/solidification, emphasizing the advantages from tight coupling of mass, momentum and energy conservation equations, as well as orthogonality of basis functions, which leads to better conditioning of the underlying (approximate) Jacobian matrices, and rapid convergence of the Krylov-based linear solver.« less

  2. Phase-Locked Loop Noise Reduction via Phase Detector Implementation for Single-Phase Systems

    SciTech Connect (OSTI)

    Thacker, Timothy; Boroyevich, Dushan; Burgos, Rolando; Wang, Fei

    2011-01-01

    A crucial component of grid-connected converters is the phase-locked loop (PLL) control subsystem that tracks the grid voltage's frequency and phase angle. Therefore, accurate fast-responding PLLs for control and protection purposes are required to provide these measurements. This paper proposes a novel feedback mechanism for single-phase PLL phase detectors using the estimated phase angle. Ripple noise appearing in the estimated frequency, most commonly the second harmonic under phase-lock conditions, is reduced or eliminated without the use of low-pass filters, which can cause delays to occur and limits the overall performance of the PLL response to dynamic changes in the system. The proposed method has the capability to eliminate the noise ripple entirely and, under extreme line distortion conditions, can reduce the ripple by at least half. Other modifications implemented through frequency feedback are shown to decrease the settling time of the PLL up to 50%. Mathematical analyses with the simulated and experimental results are provided to confirm the validity of the proposed methods.

  3. Dynamic

    Office of Legacy Management (LM)

    Dynamic , and Static , Res.ponse of the Government Oil Shale Mine at ' , . , Rifle, ... AND STATIC RESPONSE 'OF THE GOVERNMENT OIL SHALE MINE A T RIFLE, COLORADO, T O THE, ...

  4. Investigations of surface structural, dynamical, and magnetic properties of systems exhibiting multiferroicity, and topological phases by helium scattering spectroscopies

    SciTech Connect (OSTI)

    El-Batanouny, Maged

    2015-08-03

    We propose to investigate the surface structural, dynamics and magnetic properties of the novel class of topological insulator crystals, as well as crystals that exhibit multiferroicity, magnetoelectricity and thermoelectricity. Topological insulators (TIs) are a new class of insulators in which a bulk gap for electronic excitations is generated because of the strong spin-orbit coupling inherent to these systems. These materials are distinguished from ordinary insulators by the presence of gapless metallic surface states, resembling chiral edge modes in quantum Hall systems, but with unconventional spin textures. These exotic metallic states are formed by topological conditions that also render the electrons travelling on such surfaces insensitive to scattering by impurities. The electronic quasi-particles populating the topological surface state are Dirac fermions; they have a linear dispersion and thus are massless just like photons. We propose to investigate the interaction of these massless Dirac fermions with the massive lattice in the newly discovered crystals, Bi2Se3, Bi2Te3 and Sb2Te3. We shall use inelastic helium beam scattering from surfaces to search for related signatures in surface phonon dispersions mappings that cover the entire surface Brillouin zone of these materials. Our recent investigations of the (001) surface of the multiferroic crystals (Li/Na)Cu2O2 revealed an anomalous surface structural behavior where surface Cu$^{2+}$ row rise above the surface plane as the crystal was cooled. Subsequent worming revealed the onset of a thermally activated incommensurate surface phase, driven by the elevated rows. We are currently investigating the structure of the magnetic phases in these quasi-one-dimensional magnetic rows. Multiferroics are excellent candidates for large magnetoelectric response. We propose to extend this investigation to the class of delafossites which are also multiferroics and have been investigated as good candidates for

  5. Spinning angle optical calibration apparatus

    DOE Patents [OSTI]

    Beer, Stephen K.; Pratt, II, Harold R.

    1991-01-01

    An optical calibration apparatus is provided for calibrating and reproducing spinning angles in cross-polarization, nuclear magnetic resonance spectroscopy. An illuminated magnifying apparatus enables optical setting an accurate reproducing of spinning "magic angles" in cross-polarization, nuclear magnetic resonance spectroscopy experiments. A reference mark scribed on an edge of a spinning angle test sample holder is illuminated by a light source and viewed through a magnifying scope. When the "magic angle" of a sample material used as a standard is attained by varying the angular position of the sample holder, the coordinate position of the reference mark relative to a graduation or graduations on a reticle in the magnifying scope is noted. Thereafter, the spinning "magic angle" of a test material having similar nuclear properties to the standard is attained by returning the sample holder back to the originally noted coordinate position.

  6. Properties of the Langevin and Fokker-Planck equations for scalar fields and their application to the dynamics of second order phase transitions

    SciTech Connect (OSTI)

    Bettencourt, Luis M. A.

    2001-02-15

    I consider several Langevin and Fokker-Planck classes of dynamics for scalar field theories in contact with a thermal bath at temperature T. These models have been applied recently in the numerical description of the dynamics of second order phase transitions and associated topological defect formation as well as in other studies of the dynamics of critical phenomena. Closed form solutions of the Fokker-Planck equation are given for a harmonic potential and a dynamical mean-field approximation is developed. These methods allow for an analytical discussion of the behavior of the theories in several circumstances of interest such as critical slowing down at a second order transition and the development of spinodal instabilities.

  7. Influence of the Torsion Angle ...

    Office of Scientific and Technical Information (OSTI)

    ... rings, usually reported as the N C C N angle, obtained from solid-state crystal structures. ... Synthesis and Physical Properties. The preparation o f C p*2Y b(3,3'-M b ip y ) ...

  8. Low Wind Speed Technology Phase II: Offshore Floating Wind Turbine Concepts: Fully Coupled Dynamic Response Simulations; Massachusetts Institute of Technology

    SciTech Connect (OSTI)

    Not Available

    2006-03-01

    This fact sheet describes a subcontract with Massachusetts Institute of Technology to study dynamic response simulations to evaluate floating platform concepts for offshore wind turbines.

  9. Dynamic density functional theory with hydrodynamic interactions: Theoretical development and application in the study of phase separation in gas-liquid systems

    SciTech Connect (OSTI)

    Kikkinides, E. S.; Monson, P. A.

    2015-03-07

    Building on recent developments in dynamic density functional theory, we have developed a version of the theory that includes hydrodynamic interactions. This is achieved by combining the continuity and momentum equations eliminating velocity fields, so the resulting model equation contains only terms related to the fluid density and its time and spatial derivatives. The new model satisfies simultaneously continuity and momentum equations under the assumptions of constant dynamic or kinematic viscosity and small velocities and/or density gradients. We present applications of the theory to spinodal decomposition of subcritical temperatures for one-dimensional and three-dimensional density perturbations for both a van der Waals fluid and for a lattice gas model in mean field theory. In the latter case, the theory provides a hydrodynamic extension to the recently studied dynamic mean field theory. We find that the theory correctly describes the transition from diffusive phase separation at short times to hydrodynamic behaviour at long times.

  10. Experimental signatures of phase interference and subfemtosecond...

    Office of Scientific and Technical Information (OSTI)

    Experimental signatures of phase interference and subfemtosecond time dynamics on the ... Title: Experimental signatures of phase interference and subfemtosecond time dynamics on ...

  11. Mira, another angle | Argonne Leadership Computing Facility

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Mira, another angle Download original image « Back to galleryItem 2

  12. OPENING ANGLES OF COLLAPSAR JETS

    SciTech Connect (OSTI)

    Mizuta, Akira; Ioka, Kunihito

    2013-11-10

    We investigate the jet propagation and breakout from the stellar progenitor for gamma-ray burst (GRB) collapsars by performing two-dimensional relativistic hydrodynamic simulations and analytical modeling. We find that the jet opening angle is given by θ{sub j} ∼ 1/5Γ{sub 0} and infer the initial Lorentz factor of the jet at the central engine, Γ{sub 0}, is a few for existing observations of θ{sub j}. The jet keeps the Lorentz factor low inside the star by converging cylindrically via collimation shocks under the cocoon pressure and accelerates at jet breakout before the free expansion to a hollow-cone structure. In this new picture, the GRB duration is determined by the sound crossing time of the cocoon, after which the opening angle widens, reducing the apparent luminosity. Some bursts violating the maximum opening angle θ{sub j,{sub max}} ∼ 1/5 ∼ 12° imply the existence of a baryon-rich sheath or a long-acting jet. We can explain the slopes in both Amati and Yonetoku spectral relations using an off-centered photosphere model, if we make only one assumption that the total jet luminosity is proportional to the initial Lorentz factor of the jet. We also numerically calibrate the pre-breakout model (Bromberg et al.) for later use.

  13. Optimization of the phase angle in ideal Stirling engines using...

    Office of Scientific and Technical Information (OSTI)

    Country of Publication: United States Language: English Subject: 42 ENGINEERING NOT INCLUDED IN OTHER CATEGORIES; STIRLING ENGINES; OPTIMIZATION; HEAT EXCHANGERS; CALCULATION ...

  14. Excited-state quantum phase transitions in systems with two degrees of freedom: Level density, level dynamics, thermal properties

    SciTech Connect (OSTI)

    Strnsk, Pavel; Macek, Michal; Cejnar, Pavel

    2014-06-15

    Quantum systems with a finite number of freedom degrees f develop robust singularities in the energy spectrum of excited states as the systems size increases to infinity. We analyze the general form of these singularities for low f, particularly f=2, clarifying the relation to classical stationary points of the corresponding potential. Signatures in the smoothed energy dependence of the quantum state density and in the flow of energy levels with an arbitrary control parameter are described along with the relevant thermodynamical consequences. The general analysis is illustrated with specific examples of excited-state singularities accompanying the first-order quantum phase transition. -- Highlights: ESQPTs found in infinite-size limit of systems with low numbers of freedom degrees f. ESQPTs related to non-analytical evolutions of classical phasespace properties. ESQPT signatures analyzed for general f, particularly f=2, extending known case f=1. ESQPT signatures identified in smoothened density and flow of energy spectrum. ESQPTs shown to induce a new type of thermodynamic anomalies.

  15. The phase-lock dynamics of the laser wakefield acceleration with an intensity-decaying laser pulse

    SciTech Connect (OSTI)

    Li, Wentao; Liu, Jiansheng Wang, Wentao; Zhang, Zhijun; Chen, Qiang; Tian, Ye; Qi, Rong; Yu, Changhai; Wang, Cheng; Li, Ruxin Xu, Zhizhan; Tajima, T.

    2014-03-03

    An electron beam with the maximum energy extending up to 1.8?GeV, much higher than the dephasing limit, is experimentally obtained in the laser wakefield acceleration with the plasma density of 3.5??10{sup 18}?cm{sup ?3}. With particle in cell simulations and theoretical analysis, we find that the laser intensity evolution plays a major role in the enhancement of the electron energy gain. While the bubble length decreases due to the intensity-decay of the laser pulse, the phase of the electron beam in the wakefield can be locked, which contributes to the overcoming of the dephasing. Moreover, the laser intensity evolution is described for the phase-lock acceleration of electrons in the uniform plasma, confirmed with our own simulation. Since the decaying of the intensity is unavoidable in the long distance propagation due to the pump depletion, the energy gain of the high energy laser wakefield accelerator can be greatly enhanced if the current process is exploited.

  16. Methods for magnetic resonance analysis using magic angle technique

    DOE Patents [OSTI]

    Hu, Jian Zhi; Wind, Robert A.; Minard, Kevin R.; Majors, Paul D.

    2011-11-22

    Methods of performing a magnetic resonance analysis of a biological object are disclosed that include placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. In particular embodiments the method includes pulsing the radio frequency to provide at least two of a spatially selective read pulse, a spatially selective phase pulse, and a spatially selective storage pulse. Further disclosed methods provide pulse sequences that provide extended imaging capabilities, such as chemical shift imaging or multiple-voxel data acquisition.

  17. Integrated experimental setup for angle resolved photoemission...

    Office of Scientific and Technical Information (OSTI)

    Integrated experimental setup for angle resolved photoemission spectroscopy of transuranic materials Citation Details In-Document Search Title: Integrated experimental setup for...

  18. A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zeng, Y.; Hunter, A.; Beyerlein, I. J.; Koslowski, M.

    2015-09-14

    In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τcrit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τcrit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that themore » value of τcrit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τcrit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τcrit values.« less

  19. A phase field dislocation dynamics model for a bicrystal interface system: An investigation into dislocation slip transmission across cube-on-cube interfaces

    SciTech Connect (OSTI)

    Zeng, Y.; Hunter, A.; Beyerlein, I. J.; Koslowski, M.

    2015-09-14

    In this study, we present a phase field dislocation dynamics formulation designed to treat a system comprised of two materials differing in moduli and lattice parameters that meet at a common interface. We apply the model to calculate the critical stress τcrit required to transmit a perfect dislocation across the bimaterial interface with a cube-on-cube orientation relationship. The calculation of τcrit accounts for the effects of: 1) the lattice mismatch (misfit or coherency stresses), 2) the elastic moduli mismatch (Koehler forces or image stresses), and 3) the formation of the residual dislocation in the interface. Our results show that the value of τcrit associated with the transmission of a dislocation from material 1 to material 2 is not the same as that from material 2 to material 1. Dislocation transmission from the material with the lower shear modulus and larger lattice parameter tends to be easier than the reverse and this apparent asymmetry in τcrit generally increases with increases in either lattice or moduli mismatch or both. In efforts to clarify the roles of lattice and moduli mismatch, we construct an analytical model for τcrit based on the formation energy of the residual dislocation. We show that path dependence in this energetic barrier can explain the asymmetry seen in the calculated τcrit values.

  20. Realizing in-plane surface diffraction by x-ray multiple-beam diffraction with large incidence angle

    SciTech Connect (OSTI)

    Huang, Xian-Rong Gog, Thomas; Assoufid, Lahsen; Peng, Ru-Wen; Siddons, D. P.

    2014-11-03

    Based on rigorous dynamical-theory calculations, we demonstrate the principle of an x-ray multiple-beam diffraction (MBD) scheme that overcomes the long-lasting difficulties of high-resolution in-plane diffraction from crystal surfaces. This scheme only utilizes symmetric reflection geometry with large incident angles but activates the out-of-plane and in-plane diffraction processes simultaneously and separately in the continuous MBD planes. The in-plane diffraction is realized by detoured MBD, where the intermediate diffracted waves propagate parallel to the surface, which corresponds to an absolute Bragg surface diffraction configuration that is extremely sensitive to surface structures. A series of MBD diffraction and imaging techniques may be developed from this principle to study surface/interface (misfit) strains, lateral nanostructures, and phase transitions of a wide range of (pseudo)cubic crystal structures, including ultrathin epitaxial films and multilayers, quantum dots, strain-engineered semiconductor or (multi)ferroic materials, etc.

  1. Monitoring phase behavior of hydrogen confined in carbon nanopores...

    Office of Scientific and Technical Information (OSTI)

    of hydrogen confined in carbon nanopores by in-situ small angle neutron scattering technique Citation Details In-Document Search Title: Monitoring phase behavior of hydrogen ...

  2. Long range correlations and folding angle with applications to ?-helical proteins

    SciTech Connect (OSTI)

    Krokhotin, Andrey, E-mail: Andrei.Krokhotine@cern.ch [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden)] [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden); Nicolis, Stam, E-mail: Stam.Nicolis@lmpt.univ-tours.fr [Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fdration Denis Poisson, Universit de Tours, Parc de Grandmont, F37200 Tours (France)] [Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fdration Denis Poisson, Universit de Tours, Parc de Grandmont, F37200 Tours (France); Niemi, Antti J., E-mail: Antti.Niemi@physics.uu.se [Department of Physics and Astronomy, Uppsala University, P.O. Box 803, S-75108, Uppsala (Sweden); Laboratoire de Mathematiques et Physique Theorique CNRS UMR 6083, Fdration Denis Poisson, Universit de Tours, Parc de Grandmont, F37200 Tours (France); Department of Physics, Beijing Institute of Technology, Haidian District, Beijing 100081 (China)

    2014-03-07

    The conformational complexity of chain-like macromolecules such as proteins and other linear polymers is much larger than that of point-like atoms and molecules. Unlike particles, chains can bend, twist, and even become knotted. Thus chains might also display a much richer phase structure. Unfortunately, it is not very easy to characterize the phase of a long chain. Essentially, the only known attribute is the radius of gyration. The way how it changes when the degree of polymerization becomes different, and how it evolves when the ambient temperature and solvent properties change, is commonly used to disclose the phase. But in any finite length chain there are corrections to scaling that complicate the detailed analysis of the phase structure. Here we introduce a quantity that we call the folding angle to identify and scrutinize the phase structure, as a complement to the radius of gyration. We argue for a mean-field level relationship between the folding angle and the scaling exponent in the radius of gyration. We then estimate the value of the folding angle in the case of crystallographic ?-helical protein structures in the Protein Data Bank. We also show how the experimental value of the folding angle can be obtained computationally, using a semiclassical Born-Oppenheimer description of ?-helical chiral chains.

  3. Small Angle X-Ray Scattering Detector

    DOE Patents [OSTI]

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., qmax/qmin approx=lO0.

  4. PRECISE ANGLE MONITOR BASED ON THE CONCEPT OF PENCIL-BEAM INTERFEROMETRY

    SciTech Connect (OSTI)

    QIAN,S.; TAKACS,P.

    2000-07-30

    The precise angle monitoring is a very important metrology task for research, development and industrial applications. Autocollimator is one of the most powerful and widely applied instruments for small angle monitoring, which is based on the principle of geometric optics. In this paper the authors introduce a new precise angle monitoring system, Pencil-beam Angle Monitor (PAM), base on pencil beam interferometry. Its principle of operation is a combination of physical and geometrical optics. The angle calculation method is similar to the autocollimator. However, the autocollimator creates a cross image but the precise pencil-beam angle monitoring system produces an interference fringe on the focal plane. The advantages of the PAM are: high angular sensitivity, long-term stability character making angle monitoring over long time periods possible, high measurement accuracy in the order of sub-microradian, simultaneous measurement ability in two perpendicular directions or on two different objects, dynamic measurement possibility, insensitive to the vibration and air turbulence, automatic display, storage and analysis by use of the computer, small beam diameter making the alignment extremely easy and longer test distance. Some test examples are presented.

  5. Photo-induced isomerization of ethylene-bridged azobenzene explored by ab initio based non-adiabatic dynamics simulation: A comparative investigation of the isomerization in the gas and solution phases

    SciTech Connect (OSTI)

    Cao Jun; Liu Lihong; Fang Weihai; Xie Zhizhong; Zhang Yong

    2013-04-07

    Azobenzene is one of the most widely used photoactive units and recently an ethylene-bridged azobenzene (BAB) was reported to have greatly enhanced conversion efficiency, quantum yield, and other favorable properties. As the first step towards exploring its photo-switchable character in real systems, we report here a systematic study on the photoisomerization dynamics between trans (E) and cis (Z) isomers in the gas phase and the CH{sub 3}OH solution, using ab initio based surface hopping and molecular dynamics, which is the first report of dynamics simulation to reveal the environmental effects on BAB photoreactions. Results show that while the relatively faster S{sub 1} relaxation of the photo-induced E{yields}Z process is only mildly affected by the solvent effect, the relatively slower S{sub 1} relaxation of the reverse reaction becomes even slower in the solution compared to the gas phase. The subsequent S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub E}) to Z is accelerated in solution compared to the gas phase because of avoided re-crossing to the S{sub 1} state, while the S{sub 0} dynamics from the conical intersection between S{sub 1} and S{sub 0} (CI{sub Z}) to E are basically the same in both phases. Overall, the solvent effect was found to enhance the back-and-forth photo-switch efficiency between the Z and E isomers compared to the gas phase, while the quantum yields are reduced. But the solution yields of both the forward and backward photoreactions are still around 0.4. Therefore, BAB may have good photo-responsive properties if used as a photoactive unit in real systems. These results will facilitate future experimental and theoretical studies in this area to help design new azobenzene derivatives as photoactive units in biological processes, nanoscale devices, and photo-responsive materials.

  6. Process and apparatus for measuring degree of polarization and angle of major axis of polarized beam of light

    DOE Patents [OSTI]

    Decker, Derek E.; Toeppen, John S.

    1994-01-01

    Apparatus and process are disclosed for calibrating measurements of the phase of the polarization of a polarized beam and the angle of the polarized optical beam's major axis of polarization at a diagnostic point with measurements of the same parameters at a point of interest along the polarized beam path prior to the diagnostic point. The process is carried out by measuring the phase angle of the polarization of the beam and angle of the major axis at the point of interest, using a rotatable polarizer and a detector, and then measuring these parameters again at a diagnostic point where a compensation apparatus, including a partial polarizer, which may comprise a stack of glass plates, is disposed normal to the beam path between a rotatable polarizer and a detector. The partial polarizer is then rotated both normal to the beam path and around the axis of the beam path until the detected phase of the beam polarization equals the phase measured at the point of interest. The rotatable polarizer at the diagnostic point may then be rotated manually to determine the angle of the major axis of the beam and this is compared with the measured angle of the major axis of the beam at the point of interest during calibration. Thereafter, changes in the polarization phase, and in the angle of the major axis, at the point of interest can be monitored by measuring the changes in these same parameters at the diagnostic point.

  7. Mira, an angle shot | Argonne Leadership Computing Facility

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    an angle shot Download original image « Back to galleryItem 1 of 9Next

  8. IR OPTICS MEASUREMENT WITH LINEAR COUPLING'S ACTION-ANGLE PARAMETERIZATION.

    SciTech Connect (OSTI)

    LUO, Y.; BAI, M.; PILAT, R.; SATOGATA, T.; TRBOJEVIC, D.

    2005-05-16

    A parameterization of linear coupling in action-angle coordinates is convenient for analytical calculations and interpretation of turn-by-turn (TBT) beam position monitor (BPM) data. We demonstrate how to use this parameterization to extract the twiss and coupling parameters in interaction regions (IRs), using BPMs on each side of the long IR drift region. The example of TBT BPM analysis was acquired at the Relativistic Heavy Ion Collider (RHIC), using an AC dipole to excite a single eigenmode. Besides the full treatment, a fast estimate of beta*, the beta function at the interaction point (IP), is provided, along with the phase advance between these BPMs. We also calculate and measure the waist of the beta function and the local optics.

  9. Solar concentrator with restricted exit angles

    DOE Patents [OSTI]

    Rabl, Arnulf; Winston, Roland

    1978-12-19

    A device is provided for the collection and concentration of radiant energy and includes at least one reflective side wall. The wall directs incident radiant energy to the exit aperture thereof or onto the surface of energy absorber positioned at the exit aperture so that the angle of incidence of radiant energy at the exit aperture or on the surface of the energy absorber is restricted to desired values.

  10. Multi-Angle Snowflake Camera Instrument Handbook

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    8 Multi-Angle Snowflake Camera Instrument Handbook July 2016 M Stuefer J Bailey DISCLAIMER This report was prepared as an account of work sponsored by the U.S. Government. Neither the United States nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe

  11. Small Angle X-Ray Scattering Detector

    DOE Patents [OSTI]

    Hessler, Jan P.

    2004-06-15

    A detector for time-resolved small-angle x-ray scattering includes a nearly constant diameter, evacuated linear tube having an end plate detector with a first fluorescent screen and concentric rings of first fiber optic bundles for low angle scattering detection and an annular detector having a second fluorescent screen and second fiber optic bundles concentrically disposed about the tube for higher angle scattering detection. With the scattering source, i.e., the specimen under investigation, located outside of the evacuated tube on the tube's longitudinal axis, scattered x-rays are detected by the fiber optic bundles, to each of which is coupled a respective photodetector, to provide a measurement resolution, i.e., dq/q, where q is the momentum transferred from an incident x-ray to an x-ray scattering specimen, of 2% over two (2) orders of magnitude in reciprocal space, i.e., q.sub.max /q.sub.min.congruent.100.

  12. Angle sensitive single photon avalanche diode

    SciTech Connect (OSTI)

    Lee, Changhyuk Johnson, Ben Molnar, Alyosha

    2015-06-08

    An ideal light sensor would provide exact information on intensity, timing, location, and angle of incoming photons. Single photon avalanche diodes (SPADs) provide such desired high (single photon) sensitivity with precise time information and can be implemented at a pixel-scale to form an array to extract spatial information. Furthermore, recent work has demonstrated photodiode-based structures (combined with micro-lenses or diffraction gratings) that are capable of encoding both spatial and angular information of incident light. In this letter, we describe the implementation of such a grating structure on SPADs to realize a pixel-scale angle-sensitive single photon avalanche diode (A-SPAD) built in a standard CMOS process. While the underlying SPAD structure provides high sensitivity, the time information of the two layers of diffraction gratings above offers angle-sensitivity. Such a unique combination of SPAD and diffraction gratings expands the sensing dimensions to pave a path towards lens-less 3-D imaging and light-field time-of-flight imaging.

  13. Relativistic kinetic theory of pitch angle scattering, slowing down, and energy deposition in a plasma

    SciTech Connect (OSTI)

    Robiche, J.; Rax, J.M.

    2004-10-01

    The collisional dynamics of a relativistic electron population in a Lorentzian plasma are investigated and analyzed within the framework of kinetic theory. The relativistic Fokker-Planck equation describing both slowing down and pitch angle scattering is derived, analyzed, and solved. The analytical Green function is used to express the electron range, the range straggling, and the mean radial dispersion as a function of the plasma parameters. Compared to standard slowing down theories, the inclusion of the pitch angle scattering without any Gaussian approximation appears to be essential to calculate these quantities.

  14. Pair Creation at Large Inherent Angles

    SciTech Connect (OSTI)

    Chen, P.; Tauchi, T.; Schroeder, D.V.; /SLAC

    2007-04-25

    In the next-generation linear colliders, the low-energy e{sup +}e{sup -} pairs created during the collision of high-energy e{sup +}e{sup -} beams would cause potential deleterious background problems to the detectors. At low collider energies, the pairs are made essentially by the incoherent process, where the pair is created by the interaction of beamstrahlung photons on the individual particles in the oncoming beam. This problem was first identified by Zolotarev, et al[1]. At energies where the beamstrahlung parameter {Upsilon} lies approximately in the range 0.6 {approx}< {Upsilon} {approx}< 100, pair creation from the beamstrahlung photons is dominated by a coherent process, first noted by Chen[2]. The seriousness of this pair creation problem lies in the transverse momenta that the pair particles carry when leaving the interaction point (IP) with large angles. One source of transverse momentum is from the kick by the field of the oncoming beam which results in an outcoming angle {theta} {proportional_to} 1/{radical}x, where x is the fractional energy of the particle relative to the initial beam particle energy[2,3]. As was shown in Ref. 131, there in fact exists an energy threshold for the coherent pairs, where x{sub th} {approx}> 1/2{Upsilon}. Thus within a tolerable exiting angle, there exists an upper limit for {Upsilon} where all coherent pairs would leave the detector through the exhaust port[4]. A somewhat different analysis has been done by Schroeder[5]. In the next generation of linear colliders, as it occurs, the coherent pairs can be exponentially suppressed[2] by properly choosing the {Upsilon}({approx}< 0.6). When this is achieved, the incoherent pairs becomes dominant. Since the central issue is the transverse momentum for particles with large angles, we notice that there is another source for it. Namely, when the pair particles are created at low energies, the intrinsic angles of these pairs when produced may already be large. This issue was

  15. Impact of the In-medium Nucleon-nucleon Cross Section Modification on Early-reaction-phase Dynamics Below 100 A MeV

    SciTech Connect (OSTI)

    Basrak, Z.; Zoric, M.; Eudes, P.; Sebille, F.

    2009-08-26

    With a semi-classical transport model studied is the impact of the in-medium NN cross section modifications on the early energy transformation, dynamical emission and quasiprojectile properties of the Ar+Ni and Ni+Ni reactions at 52, 74 and 95(90) A MeV.

  16. LHC luminosity upgrade with large Piwinski angle scheme: a recent look

    SciTech Connect (OSTI)

    Bhat, C.M.; Zimmermann, f.; /CERN

    2011-09-01

    Luminosity upgrade at the LHC collider using longitudinally flat bunches in combination with the large crossing angle (large Piwinski angle scheme) is being studied with renewed interest in recent years. By design, the total beam-beam tune shift at the LHC is less than 0.015 for two interaction points together. But the 2010-11 3.5 TeV collider operation and dedicated studies indicated that the beam-beam tune shift is >0.015 per interaction point. In view of this development we have revisited the requirements for the Large Piwinski Angle scheme at the LHC. In this paper we present a new set of parameters and luminosity calculations for the desired upgrade by investigating: (1) current performance of the LHC injectors, (2) e-cloud issues on nearly flat bunches and (3) realistic beam particle distributions from longitudinal beam dynamics simulations. We also make some remarks on the needed upgrades on the LHC injector accelerators.

  17. Method for high resolution magnetic resonance analysis using magic angle technique

    DOE Patents [OSTI]

    Wind, Robert A.; Hu, Jian Zhi

    2004-12-28

    A method of performing a magnetic resonance analysis of a biological object that includes placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. The object may be reoriented about the magic angle axis between three predetermined positions that are related to each other by 120.degree.. The main magnetic field may be rotated mechanically or electronically. Methods for magnetic resonance imaging of the object are also described.

  18. Method for high resolution magnetic resonance analysis using magic angle technique

    DOE Patents [OSTI]

    Wind, Robert A.; Hu, Jian Zhi

    2003-12-30

    A method of performing a magnetic resonance analysis of a biological object that includes placing the object in a main magnetic field (that has a static field direction) and in a radio frequency field; rotating the object at a frequency of less than about 100 Hz around an axis positioned at an angle of about 54.degree.44' relative to the main magnetic static field direction; pulsing the radio frequency to provide a sequence that includes a phase-corrected magic angle turning pulse segment; and collecting data generated by the pulsed radio frequency. The object may be reoriented about the magic angle axis between three predetermined positions that are related to each other by 120.degree.. The main magnetic field may be rotated mechanically or electronically. Methods for magnetic resonance imaging of the object are also described.

  19. Ponderomotive phase plate for transmission electron microscopes

    DOE Patents [OSTI]

    Reed, Bryan W. (Livermore, CA)

    2012-07-10

    A ponderomotive phase plate system and method for controllably producing highly tunable phase contrast transfer functions in a transmission electron microscope (TEM) for high resolution and biological phase contrast imaging. The system and method includes a laser source and a beam transport system to produce a focused laser crossover as a phase plate, so that a ponderomotive potential of the focused laser crossover produces a scattering-angle-dependent phase shift in the electrons of the post-sample electron beam corresponding to a desired phase contrast transfer function.

  20. Two-lens, anamorphic, Brewster-angle, Fourier-transform relay

    SciTech Connect (OSTI)

    Berggren, R.R.

    1987-01-01

    A two-lens system provides a simple and versatile means to relay a laser beam. The pair of lenses can provide true volume imaging, reproducing both amplitude and phase of the input beam. By using cylindrical lenses it is possible to change the aspect ratio of the beam. By adjusting the cylindrical curvatures, it is possible to minimize reflections by tilting the lenses at the Brewster angle.

  1. Multiaxial deformation of polyethylene and polyethylene/clay nanocomposites: In situ synchrotron small angle and wide angle X-ray scattering study

    SciTech Connect (OSTI)

    Gurun, Bilge; Bucknall, David G.; Thio, Yonathan S.; Teoh, Chin Ching; Harkin-Jones, Eileen

    2013-01-10

    A unique in situ multiaxial deformation device has been designed and built specifically for simultaneous synchrotron small angle X-ray scattering (SAXS) and wide angle X-ray scattering (WAXS) measurements. SAXS and WAXS patterns of high-density polyethylene (HDPE) and HDPE/clay nanocomposites were measured in real time during in situ multiaxial deformation at room temperature and at 55 C. It was observed that the morphological evolution of polyethylene is affected by the existence of clay platelets as well as the deformation temperature and strain rate. Martensitic transformation of orthorhombic into monoclinic crystal phases was observed under strain in HDPE, which is delayed and hindered in the presence of clay nanoplatelets. From the SAXS measurements, it was observed that the thickness of the interlamellar amorphous region increased with increasing strain, which is due to elongation of the amorphous chains. The increase in amorphous layer thickness is slightly higher for the nanocomposites compared to the neat polymer.

  2. Role of Nucleation and Growth in Two-Phase Microstructure Formation

    SciTech Connect (OSTI)

    Jong Ho Shin

    2008-05-01

    During the directional solidification of peritectic alloys, a rich variety of two-phase microstructures develop, and the selection process of a specific microstructure is complicated due to the following two considerations. (1) In contrast to many single phase and eutectic microstructures that grow under steady state conditions, two-phase microstructures in a peritectic system often evolve under non-steady-state conditions that can lead to oscillatory microstructures, and (2) the microstructure is often governed by both the nucleation and the competitive growth of the two phases in which repeated nucleation can occur due to the change in the local conditions during growth. In this research, experimental studies in the Sn-Cd system were designed to isolate the effects of nucleation and competitive growth on the dynamics of complex microstructure formation. Experiments were carried out in capillary samples to obtain diffusive growth conditions so that the results can be analyzed quantitatively. At high thermal gradient and low velocity, oscillatory microstructures were observed in which repeated nucleation of the two phases was observed at the wall-solid-liquid junction. Quantitative measurements of nucleation undercooling were obtained for both the primary and the peritectic phase nucleation, and three different ampoule materials were used to examine the effect of different contact angles at the wall on nucleation undercooling. Nucleation undercooling for each phase was found to be very small, and the experimental undercooling values were orders of magnitude smaller than that predicted by the classical theory of nucleation. A new nucleation mechanism is proposed in which the clusters of atoms at the wall ahead of the interface can become a critical nucleus when the cluster encounters the triple junction. Once the nucleation of a new phase occurs, the microstructure is found to be controlled by the relative growth of the two phases that give rise to different

  3. Moderate positive spin Hall angle in uranium

    SciTech Connect (OSTI)

    Singh, Simranjeet; Anguera, Marta; Barco, Enrique del E-mail: cwmsch@rit.edu; Springell, Ross; Miller, Casey W. E-mail: cwmsch@rit.edu

    2015-12-07

    We report measurements of spin pumping and the inverse spin Hall effect in Ni{sub 80}Fe{sub 20}/uranium bilayers designed to study the efficiency of spin-charge interconversion in a super-heavy element. We employ broad-band ferromagnetic resonance on extended films to inject a spin current from the Ni{sub 80}Fe{sub 20} (permalloy) into the uranium layer, which is then converted into an electric field by the inverse spin Hall effect. Surprisingly, our results suggest a spin mixing conductance of order 2 × 10{sup 19} m{sup −2} and a positive spin Hall angle of 0.004, which are both merely comparable with those of several transition metals. These results thus support the idea that the electronic configuration may be at least as important as the atomic number in governing spin pumping across interfaces and subsequent spin Hall effects. In fact, given that both the magnitude and the sign are unexpected based on trends in d-electron systems, materials with unfilled f-electron orbitals may hold additional exploration avenues for spin physics.

  4. Flow in porous media, phase and ultralow interfacial tensions: Mechanisms of enhanced petroleum recovery

    SciTech Connect (OSTI)

    Davis, H.T.; Scriven, L.E.

    1991-07-01

    A major program of university research, longer-ranged and more fundamental in approach than industrial research, into basic mechanisms of enhancing petroleum recovery and into underlying physics, chemistry, geology, applied mathematics, computation, and engineering science has been built at Minnesota. The original focus was surfactant-based chemical flooding, but the approach taken was sufficiently fundamental that the research, longer-ranged than industrial efforts, has become quite multidirectional. Topics discussed are volume controlled porosimetry; fluid distribution and transport in porous media at low wetting phase saturation; molecular dynamics of fluids in ultranarrow pores; molecular dynamics and molecular theory of wetting and adsorption; new numerical methods to handle initial and boundary conditions in immiscible displacement; electron microscopy of surfactant fluid microstructure; low cost system for animating liquid crystallites viewed with polarized light; surfaces of constant mean curvature with prescribed contact angle.

  5. Electron energy spectrum and maximum disruption angle under multi...

    Office of Scientific and Technical Information (OSTI)

    Conference: Electron energy spectrum and maximum disruption angle under multi-photon beamstrahlung Citation Details In-Document Search Title: Electron energy spectrum and maximum ...

  6. Electron energy spectrum and maximum disruption angle under multi...

    Office of Scientific and Technical Information (OSTI)

    Electron energy spectrum and maximum disruption angle under multi-photon beamstrahlung Citation Details In-Document Search Title: Electron energy spectrum and maximum disruption ...

  7. Ligand Bridging-Angle-Driven Assembly of Molecular Architectures...

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    angles of 0, 60, 90, and 120 while incorporating a variety of nonbridging functional groups, and these ligands were used as linkers. These dicarboxylate linkers assemble with...

  8. Angle-Resolved Photoemission Studies of Quantum Materials (Journal...

    Office of Scientific and Technical Information (OSTI)

    SciTech Connect Search Results Journal Article: Angle-Resolved Photoemission Studies of Quantum Materials Citation ... Cond. Mat. Phys. 3, 129, 2012 Research Org: SLAC National ...

  9. 1/2 l angle 100 r angle l brace 100 r brace dislocation loops in a zinc blende structure

    SciTech Connect (OSTI)

    Chu, S.N.G.; Nakahara, S. )

    1990-01-29

    We report, for the first time, the identification of extrinsic dislocation loops lying on the {l brace}100{r brace} planes with {1/2}{l angle}100{r angle} types of Burgers vectors in a zinc blende structure in InGaAsP lattice matched to InP. These dislocation loops generated only in nonradiative recombination assisted point-defect motion process under intensed laser light, and form the {l angle}100{r angle} type dark line defects in degraded 1.3 {mu}m wavelength laser diodes.

  10. Unitarity Triangle Angle Measurements at BaBar

    SciTech Connect (OSTI)

    Latham, Thomas E.; /SLAC

    2005-06-30

    We present recent results of measurements of the Unitarity Triangle angles alpha, beta and gamma made with the BaBar detector at the PEP-II asymmetric B factory. We present recent results of measurements of the Unitarity Triangle angles alpha, beta and gamma made with the BaBar detector at the PEP-II asymmetric B factory.

  11. PHASE DETECTOR

    DOE Patents [OSTI]

    Kippenhan, D.O.

    1959-09-01

    A phase detector circuit is described for use at very high frequencies of the order of 50 megacycles. The detector circuit includes a pair of rectifiers inverted relative to each other. One voltage to be compared is applied to the two rectifiers in phase opposition and the other voltage to be compared is commonly applied to the two rectifiers. The two result:ng d-c voltages derived from the rectifiers are combined in phase opposition to produce a single d-c voltage having amplitude and polarity characteristics dependent upon the phase relation between the signals to be compared. Principal novelty resides in the employment of a half-wave transmission line to derive the phase opposing signals from the first voltage to be compared for application to the two rectifiers in place of the transformer commonly utilized for such purpose in phase detector circuits for operation at lower frequency.

  12. Magic angle spinning nuclear magnetic resonance apparatus and process for high-resolution in situ investigations

    SciTech Connect (OSTI)

    Hu, Jian Zhi; Sears, Jr., Jesse A.; Hoyt, David W.; Mehta, Hardeep S.; Peden, Charles H. F.

    2015-11-24

    A continuous-flow (CF) magic angle sample spinning (CF-MAS) NMR rotor and probe are described for investigating reaction dynamics, stable intermediates/transition states, and mechanisms of catalytic reactions in situ. The rotor includes a sample chamber of a flow-through design with a large sample volume that delivers a flow of reactants through a catalyst bed contained within the sample cell allowing in-situ investigations of reactants and products. Flow through the sample chamber improves diffusion of reactants and products through the catalyst. The large volume of the sample chamber enhances sensitivity permitting in situ .sup.13C CF-MAS studies at natural abundance.

  13. The dynamics of two-phase (gas

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    rod power production, prediction of local boiling rates and bulk boiling effects in nuclear reactors is key in achiev- ing a ... capability to assess safety margins and the impact ...

  14. Dynamics of skyrmions in chiral magnets: Dynamic phase transitions...

    Office of Scientific and Technical Information (OSTI)

    Theoretical Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United ... Country of input: International Atomic Energy Agency (IAEA) Country of Publication: ...

  15. Enhancing Condensers for Geothermal Systems: the Effect of High Contact Angles on Dropwise Condensation Heat Transfer

    SciTech Connect (OSTI)

    Kennedy, John M.; Kim, Sunwoo; Kim, Kwang J.

    2009-10-06

    Phase change heat transfer is notorious for increasing the irreversibility of, and therefore decreasing the efficiency of, geothermal power plants. Its significant contribution to the overall irreversibility of the plant makes it the most important source of inefficiency in the process. Recent studies here have shown the promotion of drop wise condensation in the lab by means of increasing the surface energy density of a tube with nanotechnology. The use of nanotechnology has allowed the creation of surface treatments which discourage water from wetting a tube surface during a static test. These surface treatments are unique in that they create high- contact angles on the condensing tube surfaces to promote drop wise condensation.

  16. SANS (small angle neutron scattering) measurement of deuterium-dislocation correlation in palladium

    SciTech Connect (OSTI)

    Heuser, B.J.; Summerfield, G.C.; King, J.S. ); Epperson, J.E. )

    1989-11-01

    Small angle neutron scattering (SANS) measurements have been made on deformed polycrystal palladium samples with and without deuterium dissolved in the solution phase ({alpha}) at room temperature. Concentrations were held constant during SANS experiments by an equilibrium gas pressure cell. The difference scattering cross section for the same sample with and without deuterium loading has a 1/Q behavior (Q=4{pi}/{lambda} sin{theta}/2) at intermediate values of Q. At very low values of Q the dependence is much stronger than 1/Q. The 1/Q behavior is attributed to deuterium trapping close to long dislocation cores forming rod-like scattering structures.

  17. General Compression Looks at Energy Storage from a Different Angle |

    Office of Energy Efficiency and Renewable Energy (EERE) Indexed Site

    Department of Energy General Compression Looks at Energy Storage from a Different Angle General Compression Looks at Energy Storage from a Different Angle February 3, 2011 - 3:36pm Addthis Image of the General Compression CAES system | courtesy of General Compression, Inc. Image of the General Compression CAES system | courtesy of General Compression, Inc. April Saylor April Saylor Former Digital Outreach Strategist, Office of Public Affairs Earlier this week, we told you about a new company

  18. Tracking interface and common curve dynamics for two-fluid flow in porous media

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Mcclure, James E.; Miller, Cass T.; Gray, W. G.; Berrill, Mark A.

    2016-04-29

    Pore-scale studies of multiphase flow in porous medium systems can be used to understand transport mechanisms and quantitatively determine closure relations that better incorporate microscale physics into macroscale models. Multiphase flow simulators constructed using the lattice Boltzmann method provide a means to conduct such studies, including both the equilibrium and dynamic aspects. Moving, storing, and analyzing the large state space presents a computational challenge when highly-resolved models are applied. We present an approach to simulate multiphase flow processes in which in-situ analysis is applied to track multiphase flow dynamics at high temporal resolution. We compute a comprehensive set of measuresmore » of the phase distributions and the system dynamics, which can be used to aid fundamental understanding and inform closure relations for macroscale models. The measures computed include microscale point representations and macroscale averages of fluid saturations, the pressure and velocity of the fluid phases, interfacial areas, interfacial curvatures, interface and common curve velocities, interfacial orientation tensors, phase velocities and the contact angle between the fluid-fluid interface and the solid surface. Test cases are studied to validate the approach and illustrate how measures of system state can be obtained and used to inform macroscopic theory.« less

  19. Boundary layer modeling of reactive flow over a porous surface with angled injection

    SciTech Connect (OSTI)

    Liu, Shiling; Fotache, Catalin G.; Hautman, Donald J.; Ochs, Stuart S. [United Technologies Research Center, MS 129-29, 411 Silver Lane, East Hartford, CT 06108 (United States); Chao, Beei-Huan [Department of Mechanical Engineering, University of Hawaii at Manoa, Honolulu, HI 96822 (United States)

    2008-08-15

    An analytical model was developed to investigate the dynamics of nonpremixed flames in a shear layer established between a mainstream flow of fuel-rich combustion products and a porous surface with an angled injection of air. In the model, a one-step overall chemical reaction was employed, together with boundary layer conservation equations solved using similarity solutions. Parametric studies were performed to understand the effects of equivalence ratio, temperature, and mass flow rate of the fuel and air streams on the flame standoff distance, surface temperature, and heat flux at the surface. The analytical model predictions were compared with computational fluid dynamics results obtained using the FLUENT commercial code for both the laminar and the turbulent flow models. Qualitative agreement in surface temperature was observed. Finally, the flame stability limits predicted by the model were compared with available experimental data and found to agree qualitatively, as well. (author)

  20. Detachment faults: Evidence for a low-angle origin

    SciTech Connect (OSTI)

    Scott, R.J.; Lister, G.S. )

    1992-09-01

    The origin of low-angle normal faults or detachment faults mantling metamorphic core complexes in the southwestern United States remains controversial. If [sigma][sub 1] is vertical during extension, the formation of, or even slip along, such low-angle normal faults is mechanically implausible. No records exist of earthquakes on low-angle normal faults in areas currently undergoing continental extension, except from an area of actively forming core complexes in the Solomon Sea, Papua New Guinea. In light of such geophysical and mechanical arguments, W.R. Buck and B. Wernicke and G.J. Axen proposed models in which detachment faults originate as high-angle normal faults, but rotate to low angles and become inactive as extension proceeds. These models are inconsistent with critical field relations in several core complexes. The Rawhide fault, an areally extensive detachment fault in western Arizona, propagated at close to its present subhorizontal orientation late in the Tertiary extension of the region. Neither the Wernicke and Axen nor Buck models predict such behavior; in fact, both models preclude the operation of low-angle normal faults. The authors recommend that alternative explanations or modifications of existing models are needed to explain the evidence that detachment faults form and operate with gentle dips.

  1. Ultrathin metal-semiconductor-metal resonator for angle invariant visible band transmission filters

    SciTech Connect (OSTI)

    Lee, Kyu-Tae; Seo, Sungyong; Yong Lee, Jae; Jay Guo, L.

    2014-06-09

    We present transmission visible wavelength filters based on strong interference behaviors in an ultrathin semiconductor material between two metal layers. The proposed devices were fabricated on 2?cm??2?cm glass substrate, and the transmission characteristics show good agreement with the design. Due to a significantly reduced light propagation phase change associated with the ultrathin semiconductor layer and the compensation in phase shift of light reflecting from the metal surface, the filters show an angle insensitive performance up to 70, thus, addressing one of the key challenges facing the previously reported photonic and plasmonic color filters. This principle, described in this paper, can have potential for diverse applications ranging from color display devices to the image sensors.

  2. Toroidal Precession as a Geometric Phase

    SciTech Connect (OSTI)

    J.W. Burby and H. Qin

    2012-09-26

    Toroidal precession is commonly understood as the orbit-averaged toroidal drift of guiding centers in axisymmetric and quasisymmetric configurations. We give a new, more natural description of precession as a geometric phase effect. In particular, we show that the precession angle arises as the holonomy of a guiding center's poloidal trajectory relative to a principal connection. The fact that this description is physically appropriate is borne out with new, manifestly coordinate-independent expressions for the precession angle that apply to all types of orbits in tokamaks and quasisymmetric stellarators alike. We then describe how these expressions may be fruitfully employed in numerical calculations of precession.

  3. Discriminating electromagnetic radiation based on angle of incidence

    DOE Patents [OSTI]

    Hamam, Rafif E.; Bermel, Peter; Celanovic, Ivan; Soljacic, Marin; Yeng, Adrian Y. X.; Ghebrebrhan, Michael; Joannopoulos, John D.

    2015-06-16

    The present invention provides systems, articles, and methods for discriminating electromagnetic radiation based upon the angle of incidence of the electromagnetic radiation. In some cases, the materials and systems described herein can be capable of inhibiting reflection of electromagnetic radiation (e.g., the materials and systems can be capable of transmitting and/or absorbing electromagnetic radiation) within a given range of angles of incidence at a first incident surface, while substantially reflecting electromagnetic radiation outside the range of angles of incidence at a second incident surface (which can be the same as or different from the first incident surface). A photonic material comprising a plurality of periodically occurring separate domains can be used, in some cases, to selectively transmit and/or selectively absorb one portion of incoming electromagnetic radiation while reflecting another portion of incoming electromagnetic radiation, based upon the angle of incidence. In some embodiments, one domain of the photonic material can include an isotropic dielectric function, while another domain of the photonic material can include an anisotropic dielectric function. In some instances, one domain of the photonic material can include an isotropic magnetic permeability, while another domain of the photonic material can include an anisotropic magnetic permeability. In some embodiments, non-photonic materials (e.g., materials with relatively large scale features) can be used to selectively absorb incoming electromagnetic radiation based on angle of incidence.

  4. Wide-angle point-to-point x-ray imaging with almost arbitrarily...

    Office of Scientific and Technical Information (OSTI)

    Wide-angle point-to-point x-ray imaging with almost arbitrarily large angles of incidence Citation Details In-Document Search Title: Wide-angle point-to-point x-ray imaging with ...

  5. Phase-space jets drive transport and anomalous resistivity (Journal...

    Office of Scientific and Technical Information (OSTI)

    transport and anomalous resistivity In the presence of wave dissipation, phase-space structures spontaneously emerge in nonlinear Vlasov dynamics. These structures include not only...

  6. On the Euler angles for SU(N)

    SciTech Connect (OSTI)

    Cerchiai, Bianca L; Bertini, S.; Cacciatori, Sergio L.

    2005-10-20

    In this paper we reconsider the problem of the Euler parametrization for the unitary groups. After constructing the generic group element in terms of generalized angles, we compute the invariant measure on SU(N) and then we determine the full range of the parameters, using both topological and geometrical methods. In particular, we show that the given parametrization realizes the group SU(N+1) as a fibration of U(N) over the complex projective space CP{sup n}. This justifies the interpretation of the parameters as generalized Euler angles.

  7. Evidence for fast positronium formation in glancing angle positron scattering

    SciTech Connect (OSTI)

    Gidley, D.W.; Frieze, W.E.; Mayer, R.; Lynn, K.G.

    1985-01-01

    We have evidence for fast (10-100 eV) positronium formation when 30 to 300 eV positrons scatter off an Al(110) surface at glancing angles as low as 6/sup 0/ with respect to the surface. A doubly remoderated, brightness enhanced positron beam of 1 mm diameter and 1/sup 0/ opening angle is used. A position sensitive CEMA is biased to detect only neutral particles. As evidence of fast Ps formation, we will present incident beam energy scans of the neutral particle counting rate as well as position sensitive plots of the angular formation probability.

  8. Wide-angle point-to-point x-ray imaging with almost arbitrarily large angles of incidence

    SciTech Connect (OSTI)

    Bitter, M.; Hill, K. W.; Scott, S.; Feder, R.; Ko, Jinseok; Ince-Cushman, A.; Rice, J. E.

    2008-10-15

    The paper describes a new scheme for wide-angle point-to-point x-ray imaging with almost arbitrarily large angles of incidence by a matched pair of spherically bent crystals to eliminate the astigmatism, which is a well-known imaging error of spherical mirrors. In addition to x rays, the scheme should be applicable to a very broad spectrum of the electromagnetic radiation, including microwaves, infrared and visible light, as well as UV and extreme UV radiation, if the crystals are replaced with appropriate spherical reflectors. The scheme may also be applicable to the imaging with ultrasound.

  9. Multi-angle nuclear imaging apparatus and method

    DOE Patents [OSTI]

    Anger, Hal O. [Berkeley, CA

    1980-04-08

    Nuclear imaging apparatus for obtaining multi-plane readouts of radioactive material in a human or animal subject. A probe disposed in the vicinity of the subject is provided for receiving radiation from radiating sources in the subject and for forming a probe radiation image. The probe has a collimator with different portions thereof having holes disposed at different angles. A single scintillation crystal overlies the collimator for receiving radiation passing through the collimator and producing scintillations to provide the probe image. An array of photomultiplier tubes overlie the single crystal for observing the probe image and providing electrical outputs. Conversion apparatus is provided for converting the electrical outputs representing the probe image into optical images displayed on the screen of a cathode ray tube. Divider apparatus is provided for dividing the probe radiation image into a plurality of areas with the areas corresponding to different portions of the collimator having holes disposed at different angles. A light sensitive medium is provided for receiving optical images. Apparatus is provided for causing relative movement between the probe and the subject. Apparatus is also provided for causing relative movement between the optical image on the screen and the light sensitive medium which corresponds to the relative movement between the probe and the subject whereby there is produced on the light sensitive medium a plurality of images that portray the subject as seen from different angles corresponding to the portions of the collimator having holes at different angles.

  10. Multi-angle nuclear imaging apparatus and method

    DOE Patents [OSTI]

    Anger, H.O.

    1980-04-08

    A nuclear imaging apparatus is described for obtaining multi-plane readouts of radioactive material in a human or animal subject. A probe disposed in the vicinity of the subject is provided for receiving radiation from radiating sources in the subject and for forming a probe radiation image. The probe has a collimator with different portions having holes disposed at different angles. A single scintillation crystal overlies the collimator for receiving radiation passing through the collimator and producing scintillations to provide the probe image. An array of photomultiplier tubes overlie the single crystal for observing the probe image and providing electrical outputs. Conversion apparatus is provided for converting the electrical outputs representing the probe image into optical images displayed on the screen of a cathode ray tube. Divider apparatus is provided for dividing the probe radiation image into a plurality of areas with the areas corresponding to different portions of the collimator having holes disposed at different angles. A light sensitive medium is provided for receiving optical images. Apparatus is provided for causing relative movement between the probe and the subject. Apparatus is also provided for causing relative movement between the optical image on the screen and the light sensitive medium which corresponds to the relative movement between the probe and the subject whereby there is produced on the light sensitive medium a plurality of images that portray the subject as seen from different angles corresponding to the portions of the collimator having holes at different angles. 11 figs.

  11. Dynamical analysis of highly excited molecular spectra

    SciTech Connect (OSTI)

    Kellman, M.E.

    1993-12-01

    The goal of this program is new methods for analysis of spectra and dynamics of highly excited vibrational states of molecules. In these systems, strong mode coupling and anharmonicity give rise to complicated classical dynamics, and make the simple normal modes analysis unsatisfactory. New methods of spectral analysis, pattern recognition, and assignment are sought using techniques of nonlinear dynamics including bifurcation theory, phase space classification, and quantization of phase space structures. The emphasis is chaotic systems and systems with many degrees of freedom.

  12. Magnetic resonance imaging of DNP enhancements in a rotor spinning at the magic angle

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Perras, Frederic A.; Kobayashi, Takeshi; Pruski, Marek

    2016-02-23

    Simulations performed on model, static, samples have shown that the microwave power is non-uniformly distributed in the magic angle spinning (MAS) rotor when using conventional dynamic nuclear polarization (DNP) instrumentation. Here, we applied the stray-field magic angle spinning imaging (STRAFI–MAS) experiment to generate a spatial map of the DNP enhancements in a full rotor, which is spun at a low rate in a commercial DNP–MAS NMR system. Notably, we observed that the enhancement factors produced in the center of the rotor can be twice as large as those produced at the top of the rotor. Surprisingly, we observed that themore » largest enhancement factors are observed along the axis of the rotor as opposed to against its walls, which are most directly irradiated by the microwave beam. We lastly observed that the distribution of enhancement factors can be moderately improved by degassing the sample and increasing the microwave power. The inclusion of dielectric particles greatly amplifies the enhancement factors throughout the rotor. Furthermore, the STRAFI–MAS approach can provide useful guidance for optimizing the access of microwave power to the sample, and thereby lead to further increases in sensitivity of DNP–MAS NMR.« less

  13. A unified heteronuclear decoupling strategy for magic-angle-spinning solid-state NMR spectroscopy

    SciTech Connect (OSTI)

    Equbal, Asif; Bjerring, Morten; Nielsen, Niels Chr. E-mail: ncn@inano.au.dk; Madhu, P. K. E-mail: ncn@inano.au.dk

    2015-05-14

    A unified strategy of two-pulse based heteronuclear decoupling for solid-state magic-angle spinning nuclear magnetic resonance is presented. The analysis presented here shows that different decoupling sequences like two-pulse phase-modulation (TPPM), X-inverse-X (XiX), and finite pulse refocused continuous wave (rCW{sup A}) are basically specific solutions of a more generalized decoupling scheme which incorporates the concept of time-modulation along with phase-modulation. A plethora of other good decoupling conditions apart from the standard, TPPM, XiX, and rCW{sup A} decoupling conditions are available from the unified decoupling approach. The importance of combined time- and phase-modulation in order to achieve the best decoupling conditions is delineated. The consequences of different indirect dipolar interactions arising from cross terms comprising of heteronuclear and homonuclear dipolar coupling terms and also those between heteronuclear dipolar coupling and chemical-shift anisotropy terms are presented in order to unfold the effects of anisotropic interactions under different decoupling conditions. Extensive numerical simulation results are corroborated with experiments on standard amino acids.

  14. Advanced slow-magic angle spinning probe for magnetic resonance imaging and spectroscopy

    DOE Patents [OSTI]

    Wind, Robert A.; Hu, Jian Zhi; Minard, Kevin R.; Rommereim, Donald N.

    2006-01-24

    The present invention relates to a probe and processes useful for magnetic resonance imaging and spectroscopy instruments. More particularly, the invention relates to a MR probe and processes for obtaining resolution enhancements of fluid objects, including live specimens, using an ultra-slow (magic angle) spinning (MAS) of the specimen combined with a modified phase-corrected magic angle turning (PHORMAT) pulse sequence. Proton NMR spectra were measured of the torso and the top part of the belly of a female BALBc mouse in a 2T field, while spinning the animal at a speed of 1.5 Hz. Results show that even in this relatively low field with PHORMAT, an isotropic spectrum is obtained with line widths that are a factor 4.6 smaller than those obtained in a stationary mouse. Resolution of 1H NMR metabolite spectra are thus significantly enhanced. Results indicate that PHORMAT has the potential to significantly increase the utility of 1H NMR spectroscopy for in vivo biochemical, biomedical and/or medical applications involving large-sized biological objects such as mice, rats and even humans within a hospital setting. For small-sized objects, including biological objects, such as excised tissues, organs, live bacterial cells, and biofilms, use of PASS at a spinning rate of 30 Hz and above is preferred.

  15. galpy: A python LIBRARY FOR GALACTIC DYNAMICS

    SciTech Connect (OSTI)

    Bovy, Jo

    2015-02-01

    I describe the design, implementation, and usage of galpy, a python package for galactic-dynamics calculations. At its core, galpy consists of a general framework for representing galactic potentials both in python and in C (for accelerated computations); galpy functions, objects, and methods can generally take arbitrary combinations of these as arguments. Numerical orbit integration is supported with a variety of Runge-Kutta-type and symplectic integrators. For planar orbits, integration of the phase-space volume is also possible. galpy supports the calculation of action-angle coordinates and orbital frequencies for a given phase-space point for general spherical potentials, using state-of-the-art numerical approximations for axisymmetric potentials, and making use of a recent general approximation for any static potential. A number of different distribution functions (DFs) are also included in the current release; currently, these consist of two-dimensional axisymmetric and non-axisymmetric disk DFs, a three-dimensional disk DF, and a DF framework for tidal streams. I provide several examples to illustrate the use of the code. I present a simple model for the Milky Way's gravitational potential consistent with the latest observations. I also numerically calculate the Oort functions for different tracer populations of stars and compare them to a new analytical approximation. Additionally, I characterize the response of a kinematically warm disk to an elliptical m = 2 perturbation in detail. Overall, galpy consists of about 54,000 lines, including 23,000 lines of code in the module, 11,000 lines of test code, and about 20,000 lines of documentation. The test suite covers 99.6% of the code. galpy is available at http://github.com/jobovy/galpy with extensive documentation available at http://galpy.readthedocs.org/en/latest.

  16. Energetic deposition of metal ions: Observation of self-sputtering and limited sticking for off-normal angles of incidence

    SciTech Connect (OSTI)

    Wu, Hongchen; Anders, Andre

    2009-09-15

    The deposition of films under normal and off-normal angle of incidence has been investigated to show the relevance of non-sticking of and self-sputtering by energetic ions, leading to the formation of neutral atoms. The flow of energetic ions was obtained using a filtered cathodic arc system in high vacuum and therefore the ion flux had a broad energy distribution of typically 50-100 eV per ion. The range of materials included Cu, Ag, Au, Ti, and Ni. Consistent with molecular dynamics simulations published in the literature, the experiments show, for all materials, that the combined effects of non-sticking and self-sputtering are very significant, especially for large off-normal angles. Modest heating and intentional introduction of oxygen background affect the results.

  17. Phase and birefringence aberration correction

    DOE Patents [OSTI]

    Bowers, M.; Hankla, A.

    1996-07-09

    A Brillouin enhanced four wave mixing phase conjugate mirror corrects phase aberrations of a coherent electromagnetic beam and birefringence induced upon that beam. The stimulated Brillouin scattering (SBS) phase conjugation technique is augmented to include Brillouin enhanced four wave mixing (BEFWM). A seed beam is generated by a main oscillator which arrives at the phase conjugate cell before the signal beams in order to initiate the Brillouin effect. The signal beam which is being amplified through the amplifier chain is split into two perpendicularly polarized beams. One of the two beams is chosen to be the same polarization as some component of the seed beam, the other orthogonal to the first. The polarization of the orthogonal beam is then rotated 90{degree} such that it is parallel to the other signal beam. The three beams are then focused into cell containing a medium capable of Brillouin excitation. The two signal beams are focused such that they cross the seed beam path before their respective beam waists in order to achieve BEFWM or the two signal beams are focused to a point or points contained within the focused cone angle of the seed beam to achieve seeded SBS, and thus negate the effects of all birefringent and material aberrations in the system. 5 figs.

  18. Phase and birefringence aberration correction

    DOE Patents [OSTI]

    Bowers, Mark; Hankla, Allen

    1996-01-01

    A Brillouin enhanced four wave mixing phase conjugate mirror corrects phase aberrations of a coherent electromagnetic beam and birefringence induced upon that beam. The stimulated Brillouin scattering (SBS) phase conjugation technique is augmented to include Brillouin enhanced four wave mixing (BEFWM). A seed beam is generated by a main oscillator which arrives at the phase conjugate cell before the signal beams in order to initiate the Brillouin effect. The signal beam which is being amplified through the amplifier chain is split into two perpendicularly polarized beams. One of the two beams is chosen to be the same polarization as some component of the seed beam, the other orthogonal to the first. The polarization of the orthogonal beam is then rotated 90.degree. such that it is parallel to the other signal beam. The three beams are then focused into cell containing a medium capable of Brillouin excitation. The two signal beams are focused such that they cross the seed beam path before their respective beam waists in order to achieve BEFWM or the two signal beams are focused to a point or points contained within the focused cone angle of the seed beam to achieve seeded SBS, and thus negate the effects of all birefringent and material aberrations in the system.

  19. Guidance system for low angle silicon ribbon growth

    DOE Patents [OSTI]

    Jewett, David N.; Bates, Herbert E.; Milstein, Joseph B.

    1986-07-08

    In a low angle silicon sheet growth process, a puller mechanism advances a seed crystal and solidified ribbon from a cooled growth zone in a melt at a low angle with respect to the horizontal. The ribbon is supported on a ramp adjacent the puller mechanism. Variations in the vertical position of the ribbon with respect to the ramp are isolated from the growth end of the ribbon by (1) growing the ribbon so that it is extremely thin, preferably less than 0.7 mm, (2) maintaining a large growth zone, preferably one whose length is at least 5.0 cm, and (3) spacing the ramp from the growth zone by at least 15 cm.

  20. A SMALL-ANGLE DRILL-HOLE WHIPSTOCK

    DOE Patents [OSTI]

    Nielsen, D.E.; Olsen, J.L.; Bennett, W.P.

    1963-01-29

    A small angle whipstock is described for accurately correcting or deviating a drill hole by a very small angle. The whipstock is primarily utilized when drilling extremely accurate, line-of-slight test holes as required for diagnostic studies related to underground nuclear test shots. The invention is constructed of a length of cylindrical pipe or casing, with a whipstock seating spike extending from the lower end. A wedge-shaped segment is secured to the outer circumference of the upper end of the cylinder at a position diametrically opposite the circumferential position of the spike. Pin means are provided for affixing the whipstock to a directional drill bit and stem to alloy orienting and setting the whipstock properly in the drill hole. (AEC)

  1. Angle amplifying optics using plane and ellipsoidal reflectors

    DOE Patents [OSTI]

    Glass, Alexander J.

    1977-01-01

    An optical system for providing a wide angle input beam into ellipsoidal laser fusion target illumination systems. The optical system comprises one or more pairs of centrally apertured plane and ellipsoidal mirrors disposed to accept the light input from a conventional lens of modest focal length and thickness, to increase the angular divergence thereof to a value equivalent to that of fast lenses, and to direct the light into the ellipsoidal target illumination system.

  2. The 2mrad Crossing Angle Interaction Region and Extraction Line

    SciTech Connect (OSTI)

    Appleby, R.; U., Manchester; Angal-Kalinin, D.; Dadoun, O.; Bambade, P.; Parker, B.; Keller, L.; Moffeit, K.; Nosochkov, Y.; Seryi, A.; Spencer, C.; Carter, J.; Royal Holloway, U.of London; Napoly, O.; /DAPNIA, Saclay

    2006-07-12

    A complete optics design for the 2mrad crossing angle interaction region and extraction line was presented at Snowmass 2005. Since this time, the design task force has been working on developing and improving the performance of the extraction line. The work has focused on optimizing the final doublet parameters and on reducing the power losses resulting from the disrupted beam transport. In this paper, the most recent status of the 2mrad layout and the corresponding performance are presented.

  3. Applications of Trajectory Solid Angle for Probabilistic Safety Assessment

    SciTech Connect (OSTI)

    Wong, Po Kee; Wong, Adam E.; Wong, Anita

    2002-07-01

    In 1974, a well-known research problem in Statistical Mechanics entitled 'To determine and define the probability function P.sub.2 of a particle hitting a predetermined area, given all its parameters of generation and ejection' was openly solicited for its solution from research and development organizations in U.S.A. One of many proposed solutions of the problem, initiated at that time, is by means of the Trajectory Solid Angle (TSA). TSA is defined as the integral of the dot product of the unit tangent of the particle's trajectory to the vector area divided by the square of the position vector connecting between the point of ejection and that of the surface to be hit. The invention provides: (1) The precise and the unique solution of a previously unsolved P.sub.2 problem: (2) Impacts to the governmental NRC safety standards and DOD weapon systems and many activities in the Department of Energy; (3) Impacts to update the contents of text books of physics and mathematics of all levels; (4) Impacts to the scientific instruments with applications in high technologies. The importance of Trajectory Solid Angle can be quoted from a letter by the late Institute Professor P. M. Morse of MIT who reviewed the DOE proposal P7900450 (reference No. 7) in 1979 and addressed to the inventor. 'If the Trajectory Solid Angle is correct it will provide a revolutionary concept in physics'. (authors)

  4. ARM - Measurement - Hydrometeor phase

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    : Hydrometeor phase Hydrometeor phase such as liquid ice or mixed phase Categories Cloud Properties Instruments The above measurement is considered scientifically relevant for the...

  5. ALIGNMENT OF PROTOSTARS AND CIRCUMSTELLAR DISKS DURING THE EMBEDDED PHASE

    SciTech Connect (OSTI)

    Spalding, Christopher; Batygin, Konstantin; Adams, Fred C. E-mail: kbatygin@gps.caltech.edu

    2014-12-20

    Star formation proceeds via the collapse of a molecular cloud core over multiple dynamical timescales. Turbulence within cores results in a spatially non-uniform angular momentum of the cloud, causing a stochastic variation in the orientation of the disk forming from the collapsing material. In the absence of star-disk angular momentum coupling, such disk-tilting would provide a natural mechanism for the production of primordial spin-orbit misalignments in the resulting planetary systems. However, owing to high accretion rates in the embedded phase of star formation, the inner edge of the circumstellar disk extends down to the stellar surface, resulting in efficient gravitational and accretional angular momentum transfer between the star and the disk. Here, we demonstrate that the resulting gravitational coupling is sufficient to suppress any significant star-disk misalignment, with accretion playing a secondary role. The joint tilting of the star-disk system leads to a stochastic wandering of star-aligned bipolar outflows. Such wandering widens the effective opening angle of stellar outflows, allowing for more efficient clearing of the remainder of the protostar's gaseous envelope. Accordingly, the processes described in this work provide an additional mechanism responsible for sculpting the stellar initial mass function.

  6. Phase-space localization: Topological aspects of quantum chaos

    SciTech Connect (OSTI)

    Leboeuf, P. (Division de Physique Theorique, Institut de Physique Nucleire, 91406 Orsay CEDEX (France)); Kurchan, J. (Nuclear Physics Department, Weizmann Institute of Science, Rehovot 76100 (Israel)); Feingold, M. (Lawrence Berkeley Laboratory, University of California, Berkeley, CA (USA) Department of Physics, University of California, Berkeley, CA (USA)); Arovas, D.P. (Department of Physics, B-019, University of California at San Diego, La Jolla, CA (USA))

    1990-12-17

    We study quantized classically chaotic maps on a toroidal two-diensional phase space. A discrete, topological criterion for phase-space localization is presented. To each eigenfunction an integer is associated, analogous to a quantized Hall conductivity, which when nonzero reflects phase-space delocalization. A model system is studied, and a correspondence between delocalization and chaotic classical dynamics is discussed.

  7. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature ismore » roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.« less

  8. First-principles molecular dynamics simulations of condensed...

    Office of Scientific and Technical Information (OSTI)

    phase V-type nerve agent reaction pathways and energy barriers Citation Details In-Document Search Title: First-principles molecular dynamics simulations of condensed phase V-type ...

  9. Phase slips and dissipation of Alfvenic intermediate shocks and solitons

    SciTech Connect (OSTI)

    Laveder, D.; Passot, T.; Sulem, P. L.

    2012-09-15

    The time evolution of a rotational discontinuity, characterized by a change of the magnetic-field direction by an angle {Delta}{theta} such that {pi}<|{Delta}{theta}|<2{pi} and no amplitude variation, is considered in the framework of asymptotic models that, through reductive perturbative expansions, isolate the dynamics of parallel or quasi-parallel Alfven waves. In the presence of viscous and Ohmic dissipation, and for a zero or sufficiently weak dispersion (originating from the Hall effect), an intermediate shock rapidly forms, steepens and undergoes reconnection through a quasi gradient collapse, leading to a reduction of |{Delta}{theta}| by an amount of 2{pi}, which can be viewed as the breaking of a topological constraint. Afterwards, as |{Delta}{theta}|<{pi}, the intermediate shock broadens and slowly dissipates. In the case of a phase jump |{Delta}{theta}|>3{pi}, which corresponds to a wave train limited on both sides by uniform fields, a sequence of such reconnection processes takes place. Differently, in the presence of a strong enough dispersion, the rotational discontinuity evolves, depending on the sign of {Delta}{theta}, to a dark or bright soliton displaying a 2{pi} phase variation. The latter is then eliminated, directly by reconnection in the case of a dark soliton, or through a more complex process involving a quasi amplitude collapse in that of a bright soliton. Afterwards, the resulting structure is progressively damped. For a prescribed initial rotational discontinuity, both quasi gradient and amplitude collapses lead to a sizeable energy decay that in the collisional regime is independent of the diffusion coefficient {eta} but requires a time scaling like 1/{eta}. In the non-collisional regime where dissipation originates from Landau resonance, the amount of dissipated energy during the event is independent of the plasma {beta}, but the process becomes slower for smaller {beta}.

  10. Slowing-Down Dynamics of Fast Particles in Plasmas via the Fokker-Planck Equation

    SciTech Connect (OSTI)

    Anderson, D.; Lisak, M.; Andersson, F.; Fueloep, T.

    2004-01-15

    A detailed discussion is given of the effects of energy diffusion and pitch-angle scattering on the slowing-down dynamics of a beam of monoenergetic particles being released with unidirectional velocity. Approximate solutions are given for characteristic averaged quantities like the pitch-angle averaged distribution function and different physically relevant velocity moments. The relation to previous exact investigations is discussed.

  11. B Decay and CP Violation: CKM Angles and Sides at the BABAR and...

    Office of Scientific and Technical Information (OSTI)

    Conference: B Decay and CP Violation: CKM Angles and Sides at the BABAR and BELLE B-Factories Citation Details In-Document Search Title: B Decay and CP Violation: CKM Angles and ...

  12. Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal...

    Office of Scientific and Technical Information (OSTI)

    Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal Direction Citation Details In-Document Search Title: Angle Resolved Thermal Conductivity of CeCoIn5 along the Nodal ...

  13. Small-Angle X-Ray Scattering From RNA, Proteins, And Protein...

    Office of Scientific and Technical Information (OSTI)

    Small-Angle X-Ray Scattering From RNA, Proteins, And Protein Complexes Citation Details In-Document Search Title: Small-Angle X-Ray Scattering From RNA, Proteins, And Protein ...

  14. HOPE Release 3 Pitch Angle Sneak Peak (Technical Report) | SciTech...

    Office of Scientific and Technical Information (OSTI)

    Technical Report: HOPE Release 3 Pitch Angle Sneak Peak Citation Details In-Document Search Title: HOPE Release 3 Pitch Angle Sneak Peak This report describes how the HOPE ...

  15. Small-angle X-ray scattering: a bridge between RNA secondary...

    Office of Scientific and Technical Information (OSTI)

    Small-angle X-ray scattering: a bridge between RNA secondary structures and three-dimensional topological structures Prev Next Title: Small-angle X-ray scattering: a bridge ...

  16. Code System to Calculate Transient 2-Dimensional 2-Fluid Flow Dynamics.

    Energy Science and Technology Software Center (OSTI)

    1999-07-19

    Version 00 The transient dynamics of two-dimensional, two-phase flow with interfacial exchange are calculated at all flow speeds. Each phase is described in terms of its own density, velocity, and temperature. Separate sets of field equations govern the gas and liquid phase dynamics. The six field equations for the two phases couple through mass, momentum, and energy exchange.

  17. Phase locking of vortex cores in two coupled magnetic nanopillars

    SciTech Connect (OSTI)

    Zhu, Qiyuan; Liu, Xianyin; Zheng, Qi; Zhang, Senfu; Wang, Jianbo; Liu, Qingfang

    2014-11-15

    Phase locking dynamics of the coupled vortex cores in two identical magnetic spin valves induced by spin-polarized current are studied by means of micromagnetic simulations. Our results show that the available current range of phase locking can be expanded significantly by the use of constrained polarizer, and the vortices undergo large orbit motions outside the polarization areas. The effects of polarization areas and dipolar interaction on the phase locking dynamics are studied systematically. Phase locking parameters extracted from simulations are discussed by theoreticians. The dynamics of vortices influenced by spin valve geometry and vortex chirality are discussed at last. This work provides deeper insights into the dynamics of phase locking and the results are important for the design of spin-torque nano-oscillators.

  18. The solid angle (geometry factor) for a spherical surface source and an arbitrary detector aperture

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Favorite, Jeffrey A.

    2016-01-13

    It is proven that the solid angle (or geometry factor, also called the geometrical efficiency) for a spherically symmetric outward-directed surface source with an arbitrary radius and polar angle distribution and an arbitrary detector aperture is equal to the solid angle for an isotropic point source located at the center of the spherical surface source and the same detector aperture.

  19. Rotation Angle for the Optimum Tracking of One-Axis Trackers

    SciTech Connect (OSTI)

    Marion, W. F.; Dobos, A. P.

    2013-07-01

    An equation for the rotation angle for optimum tracking of one-axis trackers is derived along with equations giving the relationships between the rotation angle and the surface tilt and azimuth angles. These equations are useful for improved modeling of the solar radiation available to a collector with tracking constraints and for determining the appropriate motor revolutions for optimum tracking.

  20. Small-angle x-ray scattering measurements of the microstructure of liquid helium mixtures adsorbed in aerogel

    SciTech Connect (OSTI)

    Lurio, L. B.; Mulders, N.; Paetkau, M.; Chan, M. H. W.; Mochrie, S. G. J. [Department of Physics, Northern Illinois University, DeKalb, Illinois 60115 (United States); Department of Physics, University of Delaware, Newark, Delaware 19716 (United States); Department of Physics and Astronomy, Okanagan College, British Columbia V1Y4X8 (Canada); Department of Physics, Pennsylvania State University, University Park, Pennsylvania 16802 (United States); Department of Physics, Yale University, New Haven, Connecticut 06511 (United States)

    2007-07-15

    Small-angle x-ray scattering (SAXS) was used to measure the microstructure of isotopic mixtures of {sup 3}He and {sup 4}He adsorbed into silica aerogels as a function of temperature and {sup 3}He concentration. The SAXS measurements could be well described by the formation of a nearly pure film of {sup 4}He which separates from the bulk mixture onto the aerogel strands and which thickens with decreasing temperature. Previous observations of a superfluid {sup 3}He-rich phase are consistent with superfluidity existing within this film phase. Observed differences between different density aerogels are explained in terms of the depletion of {sup 4}He from the bulk mixture due to film formation.

  1. Cantera Aerosol Dynamics Simulator

    Energy Science and Technology Software Center (OSTI)

    2004-09-01

    The Cantera Aerosol Dynamics Simulator (CADS) package is a general library for aerosol modeling to address aerosol general dynamics, including formation from gas phase reactions, surface chemistry (growth and oxidation), bulk particle chemistry, transport by Brownian diffusion, thermophoresis, and diffusiophoresis with linkage to DSMC studies, and thermal radiative transport. The library is based upon Cantera, a C++ Cal Tech code that handles gas phase species transport, reaction, and thermodynamics. The method uses a discontinuous galerkinmore » formulation for the condensation and coagulation operator that conserves particles, elements, and enthalpy up to round-off error. Both O-D and 1-D time dependent applications have been developed with the library. Multiple species in the solid phase are handled as well. The O-D application, called Tdcads (Time Dependent CADS) is distributed with the library. Tdcads can address both constant volume and constant pressure adiabatic homogeneous problems. An extensive set of sample problems for Tdcads is also provided.« less

  2. Compact nanomechanical plasmonic phase modulators

    SciTech Connect (OSTI)

    Dennis, B. S.; Haftel, M. I.; Czaplewski, D. A.; Lopez, D.; Blumberg, G.; Aksyuk, V. A.

    2015-03-30

    Highly confined optical energy in plasmonic devices is advancing miniaturization in photonics. However, for mode sizes approaching ≈10 nm, the energy increasingly shifts into the metal, raising losses and hindering active phase modulation. Here, we propose a nanoelectromechanical phase-modulation principle exploiting the extraordinarily strong dependence of the phase velocity of metal–insulator–metal gap plasmons on dynamically variable gap size. We experimentally demonstrate a 23-μm-long non-resonant modulator having a 1.5π rad range, with 1.7 dB excess loss at 780 nm. Analysis shows that by simultaneously decreasing the gap, length and width, an ultracompact-footprint π rad phase modulator can be realized. This is achieved without incurring the extra loss expected for plasmons confined in a decreasing gap, because the increasing phase-modulation strength from a narrowing gap offsets rising propagation losses. Such small, high-density electrically controllable components may find applications in optical switch fabrics and reconfigurable plasmonic optics.

  3. Lower hybrid instability driven by mono-energy {alpha}-particles with finite pitch angle spread in a plasma

    SciTech Connect (OSTI)

    Kumar, Pawan; Singh, Vishwesh; Tripathi, V. K.

    2013-02-15

    A kinetic formalism of lower hybrid wave instability, driven by mono-energy {alpha}-particles with finite pitch angle spread, is developed. The instability arises through cyclotron resonance interaction with high cyclotron harmonics of {alpha}-particles. The {alpha}-particles produced in D-T fusion reactions have huge Larmor radii ({approx}10 cm) as compared to the wavelength of the lower hybrid wave, whereas their speed is an order of magnitude smaller than the speed of light in vacuum. As a result, large parallel phase velocity lower hybrid waves, suitable for current drive in tokamak, are driven unstable via coupling to high cyclotron harmonics. The growth rate decreases with increase in pitch angle spread of the beam. At typical electron density of {approx}10{sup 19} m{sup -3}, magnetic field {approx}4 Tesla and {alpha}-particle concentration {approx}0.1%, the large parallel phase velocity lower hybrid wave grows on the time scale of 20 ion cyclotron periods. The growth rate decreases with plasma density.

  4. Dynamics of the magneto structural phase transition in La(Fe{sub 0.9}Co{sub 0.015}Si{sub 0.085}){sub 13} observed by magneto-optical imaging

    SciTech Connect (OSTI)

    Kuepferling, M. Basso, V.; Bennati, C.; Laviano, F.; Ghigo, G.

    2014-05-07

    We investigate the temperature induced ferromagnetic to paramagnetic phase transition in Co substituted La(Fe{sub x}Co{sub y}Si{sub 1−x−y}){sub 13} with x = 0.9 and low Co content of y = 0.015 (T{sub c}≃200 K) by means of magneto-optical imaging with indicator film and by calorimetry at very low temperature rates. We were able to visualize the motion of the ferromagnetic (FM)/paramagnetic (PM) front which is forming reproducible patterns independently of the temperature rate. The average velocity of the FM/PM front was calculated to be 10{sup −4} m/s during the continuous propagation and 4×10{sup −3} m/s during an avalanche. The heat flux was measured at low temperature rates by a differential scanning calorimeter and shows a reproducible sequence of individual and separated avalanches which occurs independently of the rate. We interpret the observed effects as the result of the athermal character of the phase transition.

  5. Finite ballooning angle effects on ion temperature gradient driven mode in gyrokinetic flux tube simulations

    SciTech Connect (OSTI)

    Singh, Rameswar, E-mail: rameswar.singh@lpp.polytechnique.fr [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India) [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India); Laboratoire de Physique des Plasmas, Ecole Polytechnique, Route de Saclay, 91128 Palaiseau Cedex (France); Brunner, S. [CRPP, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland)] [CRPP, Ecole Polytechnique Federale de Lausanne, CH-1015 Lausanne (Switzerland); Ganesh, R. [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India)] [Institute for Plasma Research, Bhat Gandhinagar, Gujarat 2382 428 (India); Jenko, F. [Max-Planck-Institut fur Plasmaphysik, EURATOM Association, D-85748 Garching (Germany)] [Max-Planck-Institut fur Plasmaphysik, EURATOM Association, D-85748 Garching (Germany)

    2014-03-15

    This paper presents effects of finite ballooning angles on linear ion temperature gradient (ITG) driven mode and associated heat and momentum flux in Gyrokinetic flux tube simulation GENE. It is found that zero ballooning angle is not always the one at which the linear growth rate is maximum. The ITG mode acquires a short wavelength (SW) branch (k{sub ?}?{sub i}?>?1) when growth rates maximized over all ballooning angles are considered. However, the SW branch disappears on reducing temperature gradient showing characteristics of zero ballooning angle SWITG in case of extremely high temperature gradient. Associated heat flux is even with respect to ballooning angle and maximizes at nonzero ballooning angle while the parallel momentum flux is odd with respect to the ballooning angle.

  6. Laser Driven Dynamic Loading of Condensed Matter

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Laser Driven Dynamic Loading of Condensed Matter Laser Driven Dynamic Loading of Condensed Matter Advanced diagnostics of experiments covering many orders of magnitude in strain rate Contact Eric Loomis (505) 665-3196 Email Dynamic materials experiments over a wide range of strain rates are essential to studying constitutive relations (e.g., plasticity), damage (e.g., spall), equations of state, phase transitions and kinetics, and novel materials. The Trident laser facility supplies unique,

  7. NGNP PHASE I REVIEW

    Broader source: Energy.gov (indexed) [DOE]

    NGNP PHASE I REVIEW NEAC REACTOR TECHNOLOGY SUBCOMMITTEE CURRENT STATUS DECEMBER 9, 2010 EPACT 2005 REQUIREMENTS * FIRST PROJECT PHASE REVIEW-On a determination by the Secretary...

  8. Parallel Molecular Dynamics Program for Molecules

    Energy Science and Technology Software Center (OSTI)

    1995-03-07

    ParBond is a parallel classical molecular dynamics code that models bonded molecular systems, typically of an organic nature. It uses classical force fields for both non-bonded Coulombic and Van der Waals interactions and for 2-, 3-, and 4-body bonded (bond, angle, dihedral, and improper) interactions. It integrates Newton''s equation of motion for the molecular system and evaluates various thermodynamical properties of the system as it progresses.

  9. Temperature-insensitive phase-matched optical harmonic conversion crystal

    DOE Patents [OSTI]

    Barker, Charles E.; Eimerl, David; Velsko, Stephan P.; Roberts, David

    1993-01-01

    Temperature-insensitive, phase-matched harmomic frequency conversion of laser light at a preferred wavelength of 1.064 microns can be achieved by use of a crystal of deuterated l-arginine phosphate. The crystal is cut and oriented so that the laser light propagates inside the crystal along one of several required directions, which correspond to a temperature-insensitive, phase-matching locus. The method of measuring and calculating the temperature-insensitive, phase-matching angles can be extended to other fundamental wavelengths and other crystal compositions.

  10. Temperature-insensitive phase-matched optical harmonic conversion crystal

    DOE Patents [OSTI]

    Barker, C.E.; Eimerl, D.; Velsko, S.P.; Roberts, D.

    1993-11-23

    Temperature-insensitive, phase-matched harmonic frequency conversion of laser light at a preferred wavelength of 1.064 microns can be achieved by use of a crystal of deuterated l-arginine phosphate. The crystal is cut and oriented so that the laser light propagates inside the crystal along one of several required directions, which correspond to a temperature-insensitive, phase-matching locus. The method of measuring and calculating the temperature-insensitive, phase-matching angles can be extended to other fundamental wavelengths and other crystal compositions. 12 figures.

  11. CrowdPhase: crowdsourcing the phase problem

    SciTech Connect (OSTI)

    Jorda, Julien; Sawaya, Michael R.; Yeates, Todd O.

    2014-06-01

    The idea of attacking the phase problem by crowdsourcing is introduced. Using an interactive, multi-player, web-based system, participants work simultaneously to select phase sets that correspond to better electron-density maps in order to solve low-resolution phasing problems. The human mind innately excels at some complex tasks that are difficult to solve using computers alone. For complex problems amenable to parallelization, strategies can be developed to exploit human intelligence in a collective form: such approaches are sometimes referred to as ‘crowdsourcing’. Here, a first attempt at a crowdsourced approach for low-resolution ab initio phasing in macromolecular crystallography is proposed. A collaborative online game named CrowdPhase was designed, which relies on a human-powered genetic algorithm, where players control the selection mechanism during the evolutionary process. The algorithm starts from a population of ‘individuals’, each with a random genetic makeup, in this case a map prepared from a random set of phases, and tries to cause the population to evolve towards individuals with better phases based on Darwinian survival of the fittest. Players apply their pattern-recognition capabilities to evaluate the electron-density maps generated from these sets of phases and to select the fittest individuals. A user-friendly interface, a training stage and a competitive scoring system foster a network of well trained players who can guide the genetic algorithm towards better solutions from generation to generation via gameplay. CrowdPhase was applied to two synthetic low-resolution phasing puzzles and it was shown that players could successfully obtain phase sets in the 30° phase error range and corresponding molecular envelopes showing agreement with the low-resolution models. The successful preliminary studies suggest that with further development the crowdsourcing approach could fill a gap in current crystallographic methods by making it

  12. Pitch angle and velocity diffusions of newborn ions by turbulence in the solar wind

    SciTech Connect (OSTI)

    Ziebell, L.F.; Yoon, P.H. )

    1990-12-01

    The present study is dedicated to the analysis of dynamical processes relevant to the interaction of newborn ions with turbulence in the solar wind, when the level of turbulence is moderately low so that quasi-linear theory is applicable. It is assumed that the low-frequency turbulence is at saturation level and not affected by the newborn ions. In order to follow the time evolution of the ion distribution, the quasi-linear diffusion equation is derived and numerically solved, starting from a ring-beam initial distribution. A simplified treatment of the resonance broadening effect is included in the diffusion equation, and its role in the pickup process is discussed. Two different configurations of wave polarization and direction of propagation are considered, using model turbulence spectra. The conditions that lead either to the formation of anisotropic shells as a long-duration transient state or to rapid isotropization of the ion pitch angle distribution are discussed, as well as the conditions leading to significant acceleration of the ions.

  13. Estimation and modeling of coal pore accessibility using small angle neutron scattering

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Zhang, Rui; Liu, Shimin; Bahadur, Jitendra; Elsworth, Derek; Melnichenko, Yuri; He, Lilin; Wang, Yi

    2015-09-04

    Gas diffusion in coal is controlled by nano-structure of the pores. The interconnectivity of pores not only determines the dynamics of gas transport in the coal matrix but also influences the mechanical strength. In this study, small angle neutron scattering (SANS) was employed to quantify pore accessibility for two coal samples, one of sub-bituminous rank and the other of anthracite rank. Moreover, a theoretical pore accessibility model was proposed based on scattering intensities under both vacuum and zero average contrast (ZAC) conditions. Our results show that scattering intensity decreases with increasing gas pressure using deuterated methane (CD4) at low Qmore » values for both coals. Pores smaller than 40 nm in radius are less accessible for anthracite than sub-bituminous coal. On the contrary, when the pore radius is larger than 40 nm, the pore accessibility of anthracite becomes larger than that of sub-bituminous coal. Only 20% of pores are accessible to CD4 for anthracite and 37% for sub-bituminous coal, where the pore radius is 16 nm. For these two coals, pore accessibility and pore radius follows a power-law relationship.« less

  14. Modeling dynamic stall on wind turbine blades under rotationally augmented flow fields

    SciTech Connect (OSTI)

    Guntur, S.; Schreck, S.; Sorensen, N. N.; Bergami, L.

    2015-04-22

    It is well known that airfoils under unsteady flow conditions with a periodically varying angle of attack exhibit aerodynamic characteristics different from those under steady flow conditions, a phenomenon commonly known as dynamic stall. It is also well known that the steady aerodynamic characteristics of airfoils in the inboard region of a rotating blade differ from those under steady two-dimensional (2D) flow conditions, a phenomenon commonly known as rotational augmentation. This paper presents an investigation of these two phenomena together in the inboard parts of wind turbine blades. This analysis is carried out using data from three sources: (1) the National Renewable Energy Laboratory’s Unsteady Aerodynamics Experiment Phase VI experimental data, including constant as well as continuously pitching blade conditions during axial operation, (2) data from unsteady Delayed Detached Eddy Simulations (DDES) carried out using the Technical University of Denmark’s in-house flow solver Ellipsys3D, and (3) data from a simplified model based on the blade element momentum method with a dynamic stall subroutine that uses rotationally augmented steady-state polars obtained from steady Phase VI experimental sequences, instead of the traditional 2D nonrotating data. The aim of this work is twofold. First, the blade loads estimated by the DDES simulations are compared to three select cases of the N sequence experimental data, which serves as a validation of the DDES method. Results show reasonable agreement between the two data in two out of three cases studied. Second, the dynamic time series of the lift and the moment polars obtained from the experiments are compared to those from the dynamic stall subroutine that uses the rotationally augmented steady polars. This allowed the differences between the stall phenomenon on the inboard parts of harmonically pitching blades on a rotating wind turbine and the classic dynamic stall representation in 2D flow to be

  15. Correlation of Oil-Water and Air-Water Contact Angles of Diverse Silanized Surfaces and Relationship to Fluid Interfacial Tensions

    SciTech Connect (OSTI)

    Grate, Jay W.; Dehoff, Karl J.; Warner, Marvin G.; Pittman, Jonathan W.; Wietsma, Thomas W.; Zhang, Changyong; Oostrom, Martinus

    2012-02-24

    The use of air-water, {Theta}{sub wa}, or air-liquid contact angles is customary in surface science, while oil-water contact angles {Theta}{sub ow}, are of paramount importance in subsurface multiphase flow phenomena including petroleum reocovery, nonaqueous phase liquid fate and transport, and geological carbon sequestration. In this paper we determine both the air-water and oil-water contact angles of silica surfaces modified with a diverse selection of silanes, using hexadecane as the oil. The silanes included alkylsilanes, alkylarylsilanes, and silanes with alkyl or aryl groups that are functionalized with heteroatoms such as N, O, and S. These silanes yielded surfaces with wettabilities from water-wet to oil wet, including specific silanized surfaces functionalized with heteroatoms that yield intermediate wet surfaces. The oil-water contact angles for clean and silanized surfaces, excluding one partially fluorinated surface, correlate linearly with air-water contact angles with a slope of 1.41 (R = 0.981, n = 13). These data were used to examine a previously untested theoretical treatment relating air-water and oil-water contact angles in terms of fluid interfacial energies. Plotting the cosines of these contact angles against one another, we obtain a linear relationship in excellent agreement with the theoretical treatment; the data fit cos {Theta}{sub ow} = 0.667 cos {Theta}{sub ow} + 0.384 (R = 0.981, n = 13), intercepting cos {Theta}{sub ow} = -1 at -0.284. The theoretical slope, based on the fluid interfacial tensions {Theta}{sub wa}, {Theta}{sub ow}, and {Theta}{sub oa}, is 0.67. We also demonstrate how silanes can be used to alter the wettability of the interior of a pore network micromodel device constructed in silicon/silica with a glass cover plate. Such micromodels are used to study multiphase flow phenomena. The contact angle of the resulting interior was determined in situ. An intermediate wet micromodel gave a contact angle in excellent agreement

  16. Effect of MLC leaf position, collimator rotation angle, and gantry rotation angle errors on intensity-modulated radiotherapy plans for nasopharyngeal carcinoma

    SciTech Connect (OSTI)

    Bai, Sen; Li, Guangjun; Wang, Maojie; Jiang, Qinfeng; Zhang, Yingjie; Wei, Yuquan

    2013-07-01

    The purpose of this study was to investigate the effect of multileaf collimator (MLC) leaf position, collimator rotation angle, and accelerator gantry rotation angle errors on intensity-modulated radiotherapy plans for nasopharyngeal carcinoma. To compare dosimetric differences between the simulating plans and the clinical plans with evaluation parameters, 6 patients with nasopharyngeal carcinoma were selected for simulation of systematic and random MLC leaf position errors, collimator rotation angle errors, and accelerator gantry rotation angle errors. There was a high sensitivity to dose distribution for systematic MLC leaf position errors in response to field size. When the systematic MLC position errors were 0.5, 1, and 2 mm, respectively, the maximum values of the mean dose deviation, observed in parotid glands, were 4.63%, 8.69%, and 18.32%, respectively. The dosimetric effect was comparatively small for systematic MLC shift errors. For random MLC errors up to 2 mm and collimator and gantry rotation angle errors up to 0.5°, the dosimetric effect was negligible. We suggest that quality control be regularly conducted for MLC leaves, so as to ensure that systematic MLC leaf position errors are within 0.5 mm. Because the dosimetric effect of 0.5° collimator and gantry rotation angle errors is negligible, it can be concluded that setting a proper threshold for allowed errors of collimator and gantry rotation angle may increase treatment efficacy and reduce treatment time.

  17. Open Heavy Flavor Production at Forward Angles in PHENIX

    SciTech Connect (OSTI)

    Read Jr, Kenneth F; PHENIX, Collaboration

    2012-01-01

    Measurement of the production of heavy quarks in heavy ion collisions can be used to probe the early stages of the created medium, study hot and cold nuclear matter effects, and test theoretical predictions concerning quark energy loss and initial-state effects. This is a current area of active research in the field and it is important to extend such measurements to the forward region. PHENIX can measure the production of open heavy flavor at forward angles with subsequent semi-leptonic decay of heavy flavor mesons into muons. We report the nuclear modification factor for the production of muon from heavy flavor decay in Cu+Cu collisions at s_NN = 200 GeV for three centrality intervals and compare to theoretical predictions concerning the suppression of heavy quark production which incorporate heavy quark energy loss and in-medium heavy meson disassociation. Additionally, we report the charm production cross section for p+p collisions at s = 200 GeV and compare results to Fixed Order plus Next-to-Leading Log predictions Research sponsored by the Office of Nuclear Physics, U.S. Department of Energy.

  18. Angle stations in or for endless conveyor belts

    DOE Patents [OSTI]

    Steel, Alan

    1987-04-07

    In an angle station for an endless conveyor belt, there are presented to each incoming run of the belt stationary curved guide members (18, 19) of the shape of a major segment of a right-circular cylinder and having in the part-cylindrical portion (16 or 17) thereof rectangular openings (15) arranged in parallel and helical paths and through which project small freely-rotatable rollers (14), the continuously-changing segments of the curved surfaces of which projecting through said openings (15) are in attitude to change the direction of travel of the belt (13) through 90.degree. during passage of the belt about the part-cylindrical portion (16 or 17) of the guide member (18 or 19). The rectangular openings (15) are arranged with their longer edges lengthwise of the diagonals representing the mean of the helix but with those of a plurality of the rows nearest to each end of the part-cylindrical portion (16 or 17) slightly out of axial symmetry with said diagonals, being slightly inclined in a direction about the intersections (40) of the diagonals of the main portion of the openings, to provide a "toe-in" attitude in relation to the line of run of the endless conveyor belt.

  19. Measurements of the CKM Angle Alpha at BaBar

    SciTech Connect (OSTI)

    Stracka, Simone; /Milan U. /INFN, Milan

    2012-04-04

    The authors present improved measurements of the branching fractions and CP-asymmetries fin the B{sup 0} {yields} {pi}{sup +}{pi}{sup -}, B{sup 0} {yields} {pi}{sup 0}{pi}{sup 0}, and B{sup +} {yields} {rho}{sup +}{rho}{sup 0} decays, which impact the determination of {alpha}. The combined branching fractions of B {yields} K{sub 1}(1270){pi} and B {yields} K{sub 1}(1400){pi} decays are measured for the first time and allow a novel determination of {alpha} in the B{sup 0} {yields} {alpha}{sub 1}(1260){sup {+-}}{pi}{sup {-+}} decay channel. These measurements are performed using the final dataset collected by the BaBar detector at the PEP-II B-factory. The primary goal of the experiments based at the B factories is to test the Cabibbo-Kobayashi-Maskawa (CKM) picture of CP violation in the standard model of electroweak interactions. This can be achieved by measuring the angles and sides of the Unitarity Triangle in a redundant way.

  20. Ultrasonic estimation of the contact angle of a sessile droplet

    SciTech Connect (OSTI)

    Quintero, R.; Simonetti, F.

    2014-02-18

    Radiation of energy by large amplitude leaky Rayleigh waves is regarded as one of the key physical mechanisms regulating the actuation and manipulation of droplets in surface acoustic wave (SAW) microfluidic devices. The interaction between a SAW and a droplet is highly complex and is presently the subject of extensive research. This paper investigates the existence of an additional interaction mechanism based on the propagation of quasi-Stoneley waves inside sessile droplets deposited on a solid substrate. In contrast with the leaky Rayleigh wave, the energy of the Stoneley wave is confined within a thin fluid layer in contact with the substrate. The hypothesis is confirmed by three-dimensional finite element simulations and ultrasonic scattering experiments measuring the reflection of Rayleigh waves from droplets of different diameters. Moreover, real-time monitoring of the droplet evaporation process reveals a clear correlation between the droplet contact angle and the spectral information of the reflected Rayleigh signal, thus paving the way for ultrasonic measurements of surface tension.

  1. Azimuthal angle dependence of dijet production in unpolarized hadron scattering

    SciTech Connect (OSTI)

    Lu Zhun; Schmidt, Ivan [Departamento de Fisica, Universidad Tecnica Federico Santa Maria, Casilla 110-V, Valparaiso (Chile) and Center of Subatomic Physics, Valparaiso (Chile)

    2008-08-01

    We study the azimuthal angular dependence of back-to-back dijet production in unpolarized hadron scattering H{sub A}+H{sub B}{yields}J{sub 1}+J{sub 2}+X, arising from the product of two Boer-Mulders functions, which describe the transverse spin distribution of quarks inside an unpolarized hadron. We find that when the dijet is of two identical quarks (J{sub q}+J{sub q}) or a quark-antiquark pair (J{sub q}+J{sub q}), there is a cos{delta}{phi} angular dependence of the dijet, with {delta}{phi}={phi}{sub 1}-{phi}{sub 2}, and {phi}{sub 1} and {phi}{sub 2} are the azimuthal angles of the two individual jets. In the case of J{sub q}+J{sub q} production, we find that there is a color factor enhancement in the gluonic cross section, compared with the result from the standard generalized parton model. We estimate the cos{delta}{phi} asymmetry of dijet production at RHIC, showing that the color factor enhancement in the angular dependence of J{sub q}+J{sub q} production will reverse the sign of the asymmetry.

  2. Small Angle Neutron Scattering (SANS) Studies on the Structural Evolution of Pyromellitamide Self-assembled Gels

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Scott, Jamieson; Tong, Katie; William, Hamilton; He, Lilin; James, Michael; Thordarson, Pall; Boukhalfa, Sofiane

    2014-10-31

    The kinetics of aggregation of two pyromellitamide gelators; tetrabutyl- (C4) and tetrahexylpyromellitamide (C6), in deuterated cyclohexane has been investigated by small angle neutron scattering (SANS) for up to six days. The purpose of this study was to improve our understanding of how self-assembled gels are formed. Short-term (< 3 hour) time scales revealed multiple phases with the data for the tetrabutylpyromellitamide C4 indicating one dimensional stacking and aggregation corresponding to a multi-fiber braided cluster arrangement that is about 35 Å in diameter. The corresponding tetrahexylpyromellitamide C6 data suggests that the C6 also forms one-dimensional stacks but that these aggregate tomore » a thicker multi-fiber braided cluster that have a diameter of 61.8 Å. Over a longer period of time, the radius, persistence length and contour length all continue to increase in 6 days after cooling. This data suggests that structural changes in self-assembled gels occur over a period exceeding several days and that fairly subtle changes in the structure (e.g. tail-length) can influence the packing of molecules in self-assembled gels on the single-to-few fiber bundle stage.« less

  3. Effect of surface free energies on the heterogeneous nucleation of water droplet: A molecular dynamics simulation approach

    SciTech Connect (OSTI)

    Xu, W.; Lan, Z.; Peng, B. L.; Wen, R. F.; Ma, X. H.

    2015-02-07

    Heterogeneous nucleation of water droplet on surfaces with different solid-liquid interaction intensities is investigated by molecular dynamics simulation. The interaction potentials between surface atoms and vapor molecules are adjusted to obtain various surface free energies, and the nucleation process and wetting state of nuclei on surfaces are investigated. The results indicate that near-constant contact angles are already established for nano-scale nuclei on various surfaces, with the contact angle decreasing with solid-liquid interaction intensities linearly. Meanwhile, noticeable fluctuation of vapor-liquid interfaces can be observed for the nuclei that deposited on surfaces, which is caused by the asymmetric forces from vapor molecules. The formation and growth rate of nuclei are increasing with the solid-liquid interaction intensities. For low energy surface, the attraction of surface atoms to water molecules is comparably weak, and the pre-existing clusters can depart from the surface and enter into the bulk vapor phase. The distribution of clusters within the bulk vapor phase becomes competitive as compared with that absorbed on surface. For moderate energy surfaces, heterogeneous nucleation predominates and the formation of clusters within bulk vapor phase is suppressed. The effect of high energy particles that embedded in low energy surface is also discussed under the same simulation system. The nucleation preferably initiates on the high energy particles, and the clusters that formed on the heterogeneous particles are trapped around their original positions instead of migrating around as that observed on smooth surfaces. This feature makes it possible for the heterogeneous particles to act as fixed nucleation sites, and simulation results also suggest that the number of nuclei increases monotonously with the number of high energy particles. The growth of nuclei on high energy particles can be divided into three sub-stages, beginning with the formation

  4. Method and apparatus for controlling pitch and flap angles of a wind turbine

    DOE Patents [OSTI]

    Deering, Kenneth J.; Wohlwend, Keith P.

    2009-05-12

    A wind turbine with improved response to wind conditions is provided. Blade flap angle motion is accompanied by a change in pitch angle by an amount defining a pitch/flap coupling ratio. The coupling ratio is non-constant as a function of a flap angle and is preferably a substantially continuous, non-linear function of flap angle. The non-constant coupling ratio can be provided by mechanical systems such as a series of linkages or by configuring electronic or other control systems and/or angle sensors. A link with a movable proximal end advantageously is part of the mechanical system. The system can provide relatively large coupling ratios and relatively large rates of coupling ratio changes especially for near-feather pitches and low flap angles.

  5. High-resolution NMR spectroscopy of biological tissues usingprojected Magic Angle Spinning

    SciTech Connect (OSTI)

    Martin, Rachel W.; Jachmann, Rebecca C.; Sakellariou, Dimitris; Nielsen, Ulla Gro; Pines, Alexander

    2005-01-27

    High-resolution NMR spectra of materials subject toanisotropic broadening are usually obtained by rotating the sample aboutthe magic angle, which is 54.7 degrees to the static magnetic field. Inprojected Magic Angle Spinning (p-MAS), the sample is spun about twoangles, neither of which is the magic angle. This provides a method ofobtaining isotropic spectra while spinning at shallow angles. The p-MASexperiment may be used in situations where spinning the sample at themagic angle is not possible due to geometric or other constraints,allowing the choice of spinning angle to be determined by factors such asthe shape of the sample, rather than by the spin physics. The applicationof this technique to bovine tissue samples is demonstrated as a proof ofprinciple for future biological or medical applications.

  6. Photodissociation Dynamics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Photodissociation Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced

  7. Atomic-scale dynamics of a model glass-forming metallic liquid: Dynamical crossover, dynamical decoupling, and dynamical clustering

    SciTech Connect (OSTI)

    Jaiswal, Abhishek; Egami, Takeshi; Zhang, Yang

    2015-04-01

    The phase behavior of multi-component metallic liquids is exceedingly complex because of the convoluted many-body and many-elemental interactions. Herein, we present systematic studies of the dynamic aspects of such a model ternary metallic liquid Cu40Zr51Al9 using molecular dynamics simulation with embedded atom method. We observed a dynamical crossover from Arrhenius to super-Arrhenius behavior in the transport properties (diffusion coefficient, relaxation times, and shear viscosity) bordered at Tx ~1300K. Unlike in many molecular and macromolecular liquids, this crossover phenomenon occurs in the equilibrium liquid state well above the melting temperature of the system (Tm ~ 900K), and the crossover temperature is roughly twice of the glass-transition temperature (Tg). Below Tx, we found the elemental dynamics decoupled and the Stokes-Einstein relation broke down, indicating the onset of heterogeneous spatially correlated dynamics in the system mediated by dynamic communications among local configurational excitations. To directly characterize and visualize the correlated dynamics, we employed a non-parametric, unsupervised machine learning technique and identified dynamical clusters of atoms with similar atomic mobility. The revealed average dynamical cluster size shows an accelerated increase below Tx and mimics the trend observed in other ensemble averaged quantities that are commonly used to quantify the spatially heterogeneous dynamics such as the non-Gaussian parameter and the four-point correlation function.

  8. Ray tracing flux calculation for the small and wide angle x-ray...

    Office of Scientific and Technical Information (OSTI)

    Ray tracing flux calculation for the small and wide angle x-ray scattering diffraction station at the SESAME synchrotron radiation facility Citation Details In-Document Search ...

  9. Structural analysis of flexible proteins in solution by SmallAngle...

    Office of Scientific and Technical Information (OSTI)

    Journal Article: Structural analysis of flexible proteins in solution by SmallAngle X-ray ... Combining SAXS results with atomic resolution structures enables detailed ...

  10. Economic Recovery of Oil Trapped at Fan Margins Using Hig Angle Wells Multiple Hydraulic Fractures

    SciTech Connect (OSTI)

    Laue, M.L.

    1997-11-21

    The Yowlumne field is a giant field in the southern San Joaquin basin, Kern County, California. It is a deep (13,000 ft) waterflood operation that produces from the Miocene- aged Stevens Sand. The reservoir is interpreted as a layered, fan-shaped, prograding turbidite complex containing several lobe-shaped sand bodies that represent distinct flow units. A high ultimate recovery factor is expected, yet significant quantities of undrained oil remain at the fan margins. The fan margins are not economic to develop using vertical wells because of thinning pay, deteriorating rock quality, and depth. This project attempts to demonstrate the effectiveness of exploiting the northeast distal fan margin through the use of a high- angle well completed with multiple hydraulic- fracture treatments. A high-angle well offers greater pay exposure than can be achieved with a vertical well. Hydraulic-fracture treatments will establish vertical communication between thin interbedded layers and the wellbore. The equivalent production rate and reserves of three vertical wells are anticipated at a cost of approximately two vertical wells. The near-horizontal well penetrated the Yowlumne sand; a Stevens sand equivalent, in the distal fan margin in the northeast area of the field. The well was drilled in a predominately westerly direction towards the interior of the field, in the direction of improving rock quality. Drilling and completion operations proved to be very challenging, leading to a number of adjustments to original plans. Hole conditions resulted in obtaining less core material than desired and setting intermediate casing 1200 ft too high. The 7 in. production liner stuck 1000 ft off bottom, requiring a 5 in. liner to be run the rest of the way. The cement job on the 5 in. liner resulted in a very poor bond, which precluded one of three hydraulic fracture treatments originally planned for the well. Openhole logs confirmed most expectations going into the project about basic

  11. SU-E-T-618: Dosimetric Comparison of Manual and Beam Angle Optimization of Gantry Angles in IMRT for Cervical Cancer

    SciTech Connect (OSTI)

    Lin, X; Sun, T; Liu, T; Zhang, G; Yin, Y

    2014-06-01

    Purpose: To evaluate the dosimetric characteristics of intensity-modulated radiotherapy (IMRT) treatment plan with beam angle optimization. Methods: Ten post-operation patients with cervical cancer were included in this analysis. Two IMRT plans using seven beams were designed in each patient. A standard coplanar equi-space beam angles were used in the first plan (plan 1), whereas the selection of beam angle was optimized by beam angle optimization algorithm in Varian Eclipse treatment planning system for the same number of beams in the second plan (plan 2). Two plans were designed for each patient with the same dose-volume constraints and prescription dose. All plans were normalized to the mean dose to PTV. The dose distribution in the target, the dose to the organs at risk and total MU were compared. Results: For conformity and homogeneity in PTV, no statistically differences were observed in the two plans. For the mean dose in bladder, plan 2 were significantly lower than plan 1(p<0.05). No statistically significant differences were observed between two plans for the mean doses in rectum, left and right femur heads. Compared with plan1, the average monitor units reduced 16% in plan 2. Conclusion: The IMRT plan based on beam angle optimization for cervical cancer could reduce the dose delivered to bladder and also reduce MU. Therefore there were some dosimetric advantages in the IMRT plan with beam angle optimization for cervical cancer.

  12. Dynamical impurity problems

    SciTech Connect (OSTI)

    Emery, V.J.; Kivelson, S.A.

    1993-12-31

    In the past few years there has been a resurgence of interest in dynamical impurity problems, as a result of developments in the theory of correlated electron systems. The general dynamical impurity problem is a set of conduction electrons interacting with an impurity which has internal degrees of freedom. The simplest and earliest example, the Kondo problem, has attracted interest since the mid-sixties not only because of its physical importance but also as an example of a model displaying logarithmic divergences order by order in perturbation theory. It provided one of the earliest applications of the renormalization group method, which is designed to deal with just such a situation. As we shall see, the antiferromagnetic Kondo model is controlled by a strong-coupling fixed point, and the essence of the renormalization group solution is to carry out the global renormalization numerically starting from the original (weak-coupling) Hamiltonian. In these lectures, we shall describe an alternative route in which we identify an exactly solvable model which renormalizes to the same fixed point as the original dynamical impurity problem. This approach is akin to determining the critical behavior at a second order phase transition point by solving any model in a given universality class.

  13. Theoretical studies of combustion dynamics

    SciTech Connect (OSTI)

    Bowman, J.M.

    1993-12-01

    The basic objectives of this research program are to develop and apply theoretical techniques to fundamental dynamical processes of importance in gas-phase combustion. There are two major areas currently supported by this grant. One is reactive scattering of diatom-diatom systems, and the other is the dynamics of complex formation and decay based on L{sup 2} methods. In all of these studies, the authors focus on systems that are of interest experimentally, and for which potential energy surfaces based, at least in part, on ab initio calculations are available.

  14. Three-phase uninterruptible power supply maintaining reserve energy sources in idling condition with unbalanced loads

    SciTech Connect (OSTI)

    Boettcher, C.W.; Hamilton, B.H.; Zweig, W.L.

    1980-12-09

    A control arrangement for a three-phase, uninterruptible power supply generates timing signals to drive the static switches of inverters located in each phase. This control arrangement precisely controls the phase differences of the inverter signals with relation to each other so that while the overall three-phase power supplied by the inverters is nulled, power circulation through the inverters compensates for unbalanced output loads thereby maintaining balanced phase angles between the output voltage and a balanced input impedance at the input of the power supply.

  15. ARM: Shortwave Array Spectroradiometer-Hemispheric, VISible channel, low-sun angles [a0 data is uncalibrated

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Albert Mendoza; Yan Shi; Connor Flynn

    1990-01-01

    Shortwave Array Spectroradiometer-Hemispheric, VISible channel, low-sun angles [a0 data is uncalibrated

  16. ARM: Shortwave Array Spectroradiometer-Hemispheric, VISible channel, high-sun angles [a0 data is uncalibrated

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Albert Mendoza; Yan Shi; Connor Flynn

    2011-03-22

    Shortwave Array Spectroradiometer-Hemispheric, VISible channel, high-sun angles [a0 data is uncalibrated

  17. ARM: Shortwave Array Spectroradiometer-Hemispheric, VISible channel, low-sun angles [a0 data is uncalibrated

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Albert Mendoza; Yan Shi; Connor Flynn

    Shortwave Array Spectroradiometer-Hemispheric, VISible channel, low-sun angles [a0 data is uncalibrated

  18. ARM: Shortwave Array Spectroradiometer-Hemispheric, VISible channel, high-sun angles [a0 data is uncalibrated

    DOE Data Explorer [Office of Scientific and Technical Information (OSTI)]

    Albert Mendoza; Yan Shi; Connor Flynn

    Shortwave Array Spectroradiometer-Hemispheric, VISible channel, high-sun angles [a0 data is uncalibrated

  19. Scattering Dynamics

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Scattering Dynamics - Sandia Energy Energy Search Icon Sandia Home Locations Contact Us Employee Locator Energy & Climate Secure & Sustainable Energy Future Stationary Power Energy Conversion Efficiency Solar Energy Wind Energy Water Power Supercritical CO2 Geothermal Natural Gas Safety, Security & Resilience of the Energy Infrastructure Energy Storage Nuclear Power & Engineering Grid Modernization Battery Testing Nuclear Energy Defense Waste Management Programs Advanced Nuclear

  20. Time-domain detection of current controlled magnetization damping in Pt/Ni{sub 81}Fe{sub 19} bilayer and determination of Pt spin Hall angle

    SciTech Connect (OSTI)

    Ganguly, A.; Haldar, A.; Sinha, J.; Barman, A. E-mail: del.atkinson@durham.ac.uk; Rowan-Robinson, R. M.; Jaiswal, S.; Hindmarch, A. T.; Atkinson, D. A. E-mail: del.atkinson@durham.ac.uk

    2014-09-15

    The effect of spin torque from the spin Hall effect in Pt/Ni{sub 81}Fe{sub 19} rectangular bilayer film was investigated using time-resolved magneto-optical Kerr microscopy. Current flow through the stack resulted in a linear variation of effective damping up to ±7%, attributed to spin current injection from the Pt into the Ni{sub 81}Fe{sub 19}. The spin Hall angle of Pt was estimated as 0.11 ± 0.03. The modulation of the damping depended on the angle between the current and the bias magnetic field. These results demonstrate the importance of optical detection of precessional magnetization dynamics for studying spin transfer torque due to spin Hall effect.

  1. Digital quadrature phase detection

    DOE Patents [OSTI]

    Smith, James A.; Johnson, John A.

    1992-01-01

    A system for detecting the phase of a frequency of phase modulated signal that includes digital quadrature sampling of the frequency or phase modulated signal at two times that are one quarter of a cycle of a reference signal apart, determination of the arctangent of the ratio of a first sampling of the frequency or phase modulated signal to the second sampling of the frequency or phase modulated signal, and a determination of quadrant in which the phase determination is increased by 2.pi. when the quadrant changes from the first quadrant to the fourth quadrant and decreased by 2.pi. when the quadrant changes from the fourth quadrant to the first quadrant whereby the absolute phase of the frequency or phase modulated signal can be determined using an arbitrary reference convention.

  2. RACEE Phase 2 Documents

    Office of Energy Efficiency and Renewable Energy (EERE)

    In Phase 2 of the Remote Alaskan Communities Energy Efficiency (RACEE) Competition, the U.S. Department of Energy provided targeted technical assistance to up to 20 selected Community Efficiency Champions. The documents below are resources for Phase 2.

  3. Digital quadrature phase detection

    DOE Patents [OSTI]

    Smith, J.A.; Johnson, J.A.

    1992-05-26

    A system for detecting the phase of a frequency or phase modulated signal that includes digital quadrature sampling of the frequency or phase modulated signal at two times that are one quarter of a cycle of a reference signal apart, determination of the arctangent of the ratio of a first sampling of the frequency or phase modulated signal to the second sampling of the frequency or phase modulated signal, and a determination of quadrant in which the phase determination is increased by 2[pi] when the quadrant changes from the first quadrant to the fourth quadrant and decreased by 2[pi] when the quadrant changes from the fourth quadrant to the first quadrant whereby the absolute phase of the frequency or phase modulated signal can be determined using an arbitrary reference convention. 6 figs.

  4. Discovery of a metastable Al20Sm4 phase

    DOE Public Access Gateway for Energy & Science Beta (PAGES Beta)

    Ye, Z.; Zhang, F.; Sun, Y.; Mendelev, M. I.; Ott, R. T.; Park, E.; Besser, M. F.; Kramer, M. J.; Ding, Z.; Wang, C. -Z.; et al

    2015-03-09

    In this study, we present an efficient genetic algorithm, integrated with experimental diffraction data, to solve a nanoscale metastable Al20Sm4 phase that evolves during crystallization of an amorphous magnetron sputtered Al90Sm10 alloy. The excellent match between calculated and experimental X-ray diffraction patterns confirms an accurate description of this metastable phase. Molecular dynamic simulations of crystal growth from the liquid phase predict the formation of disordered defects in the devitrified crystal.

  5. Gravitational waves from global second order phase transitions

    SciTech Connect (OSTI)

    Jr, John T. Giblin; Price, Larry R.; Siemens, Xavier; Vlcek, Brian E-mail: larryp@caltech.edu E-mail: bvlcek@uwm.edu

    2012-11-01

    Global second-order phase transitions are expected to produce scale-invariant gravitational wave spectra. In this manuscript we explore the dynamics of a symmetry-breaking phase transition using lattice simulations. We explicitly calculate the stochastic gravitational wave background produced during the transition and subsequent self-ordering phase. We comment on this signal as it compares to the scale-invariant spectrum produced during inflation.

  6. An acceleration of the characteristics by a space-angle two-level method using surface discontinuity factors

    SciTech Connect (OSTI)

    Grassi, G.

    2006-07-01

    We present a non-linear space-angle two-level acceleration scheme for the method of the characteristics (MOC). To the fine level on which the MOC transport calculation is performed, we associate a more coarsely discretized phase space in which a low-order problem is solved as an acceleration step. Cross sections on the coarse level are obtained by a flux-volume homogenisation technique, which entails the non-linearity of the acceleration. Discontinuity factors per surface are introduced as additional degrees of freedom on the coarse level in order to ensure the equivalence of the heterogeneous and the homogenised problem. After each fine transport iteration, a low-order transport problem is iteratively solved on the homogenised grid. The solution of this problem is then used to correct the angular moments of the flux resulting from the previous free transport sweep. Numerical tests for a given benchmark have been performed. Results are discussed. (authors)

  7. Predissociation dynamics of lithium iodide

    SciTech Connect (OSTI)

    Schmidt, H.; Vangerow, J. von; Stienkemeier, F.; Mudrich, M.; Bogomolov, A. S.; Baklanov, A. V.; Reich, D. M.; Skomorowski, W.; Koch, C. P.

    2015-01-28

    The predissociation dynamics of lithium iodide (LiI) in the first excited A-state is investigated for molecules in the gas phase and embedded in helium nanodroplets, using femtosecond pump-probe photoionization spectroscopy. In the gas phase, the transient Li{sup +} and LiI{sup +} ion signals feature damped oscillations due to the excitation and decay of a vibrational wave packet. Based on high-level ab initio calculations of the electronic structure of LiI and simulations of the wave packet dynamics, the exponential signal decay is found to result from predissociation predominantly at the lowest avoided X-A potential curve crossing, for which we infer a coupling constant V{sub XA} = 650(20) cm{sup −1}. The lack of a pump-probe delay dependence for the case of LiI embedded in helium nanodroplets indicates fast droplet-induced relaxation of the vibrational excitation.

  8. Clustering versus non-clustering phase synchronizations

    SciTech Connect (OSTI)

    Liu, Shuai; University of Chinese Academy of Sciences, Beijing 100049 ; Zhan, Meng

    2014-03-15

    Clustering phase synchronization (CPS) is a common scenario to the global phase synchronization of coupled dynamical systems. In this work, a novel scenario, the non-clustering phase synchronization (NPS), is reported. It is found that coupled systems do not transit to the global synchronization until a certain sufficiently large coupling is attained, and there is no clustering prior to the global synchronization. To reveal the relationship between CPS and NPS, we further analyze the noise effect on coupled phase oscillators and find that the coupled oscillator system can change from CPS to NPS with the increase of noise intensity or system disorder. These findings are expected to shed light on the mechanism of various intriguing self-organized behaviors in coupled systems.

  9. Simulation-guided optimization of small-angle analyzer geometry in the neutron backscattering spectrometer SPHERES

    SciTech Connect (OSTI)

    Wuttke, Joachim; Zamponi, Michaela [Forschungszentrum Jlich GmbH, Jlich Centre for Neutron Science at MLZ, Lichtenbergstrae 1, 85747 Garching (Germany)] [Forschungszentrum Jlich GmbH, Jlich Centre for Neutron Science at MLZ, Lichtenbergstrae 1, 85747 Garching (Germany)

    2013-11-15

    The resolution of neutron backscattering spectrometers deteriorates at small scattering angles where analyzers deviate from exact backscattering. By reducing the azimuth angle range of the analyzers, the resolution can be improved with little loss of peak intensity. Measurements at the spectrometer SPHERES are in excellent agreement with simulations, which proves the dominance of geometric effects.

  10. Sandia National Laboratories: Dynamic Materials

    Broader source: All U.S. Department of Energy (DOE) Office Webpages (Extended Search)

    Dynamic Materials Compressing materials under extreme conditions Pushing forward the frontiers of high-energy-density science Sandia Physicist, Marcus Knudson Sandia scientists are investigating the behavior of a wide-range of materials under the extreme conditions of very high pressures and densities. They seek the answers to such questions as: When do insulators become a metal? How strong do materials become when they are compressed? How and when do materials change their phase at very high